data_9J8G
# 
_entry.id   9J8G 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.404 
_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   9J8G         pdb_00009j8g 10.2210/pdb9j8g/pdb 
WWPDB D_1300050609 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-06-25 
_pdbx_audit_revision_history.part_number         ? 
# 
_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_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9J8G 
_pdbx_database_status.recvd_initial_deposition_date   2024-08-21 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBJ 
_pdbx_database_status.process_site                    PDBC 
_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           Y 
# 
_pdbx_database_related.db_name        PDB 
_pdbx_database_related.details        . 
_pdbx_database_related.db_id          9j89 
_pdbx_database_related.content_type   unspecified 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              chunzhou@zju.edu.cn 
_pdbx_contact_author.name_first         Chun 
_pdbx_contact_author.name_last          Zhou 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-9257-468X 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Gao, A.M.' 1 ? 
'Zhoiu, C.' 2 ? 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Mol.Cell 
_citation.journal_id_ASTM           MOCEFL 
_citation.journal_id_CSD            2168 
_citation.journal_id_ISSN           1097-2765 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            85 
_citation.language                  ? 
_citation.page_first                1790 
_citation.page_last                 1805.e7 
_citation.title                     'ZBP1 senses spliceosome stress through Z-RNA:DNA hybrid recognition.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1016/j.molcel.2025.04.004 
_citation.pdbx_database_id_PubMed   40267921 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'He, J.'    1  ? 
primary 'Zhu, Y.'   2  ? 
primary 'Tian, Z.'  3  ? 
primary 'Liu, M.'   4  ? 
primary 'Gao, A.'   5  ? 
primary 'Fu, W.'    6  ? 
primary 'Lu, F.'    7  ? 
primary 'Sun, Y.'   8  ? 
primary 'Guo, Y.'   9  ? 
primary 'Pan, R.'   10 ? 
primary 'Ji, Y.'    11 ? 
primary 'Chen, J.'  12 ? 
primary 'Lu, H.'    13 ? 
primary 'Lin, J.'   14 ? 
primary 'Liang, X.' 15 ? 
primary 'Kim, C.'   16 ? 
primary 'Zhou, C.'  17 ? 
primary 'Jiao, H.'  18 ? 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer man 'Z-DNA-binding protein 1'           6556.586 1  ? ? ? ? 
2 polymer syn 
;DNA (5'-D(P*CP*AP*CP*GP*CP*A)-3')
;
1778.208 1  ? ? ? ? 
3 polymer syn 
;RNA (5'-R(P*UP*GP*CP*GP*UP*G)-3')
;
1908.173 1  ? ? ? ? 
4 water   nat water                               18.015   36 ? ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
'DNA-dependent activator of IFN-regulatory factors,DAI,Tumor stroma and activated macrophage protein DLM-1' 
# 
loop_
_entity_poly.entity_id 
_entity_poly.type 
_entity_poly.nstd_linkage 
_entity_poly.nstd_monomer 
_entity_poly.pdbx_seq_one_letter_code 
_entity_poly.pdbx_seq_one_letter_code_can 
_entity_poly.pdbx_strand_id 
_entity_poly.pdbx_target_identifier 
1 'polypeptide(L)'        no no DNLEQKILQVLSDDGGPVKIGQLVKKCQVPKKTLNQVLYRLKKEDRVSSPEPATWSIGG 
DNLEQKILQVLSDDGGPVKIGQLVKKCQVPKKTLNQVLYRLKKEDRVSSPEPATWSIGG A ? 
2 polydeoxyribonucleotide no no '(DC)(DA)(DC)(DG)(DC)(DA)'                                  CACGCA C ? 
3 polyribonucleotide      no no UGCGUG                                                      UGCGUG B ? 
# 
_pdbx_entity_nonpoly.entity_id   4 
_pdbx_entity_nonpoly.name        water 
_pdbx_entity_nonpoly.comp_id     HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1  ASP n 
1 2  ASN n 
1 3  LEU n 
1 4  GLU n 
1 5  GLN n 
1 6  LYS n 
1 7  ILE n 
1 8  LEU n 
1 9  GLN n 
1 10 VAL n 
1 11 LEU n 
1 12 SER n 
1 13 ASP n 
1 14 ASP n 
1 15 GLY n 
1 16 GLY n 
1 17 PRO n 
1 18 VAL n 
1 19 LYS n 
1 20 ILE n 
1 21 GLY n 
1 22 GLN n 
1 23 LEU n 
1 24 VAL n 
1 25 LYS n 
1 26 LYS n 
1 27 CYS n 
1 28 GLN n 
1 29 VAL n 
1 30 PRO n 
1 31 LYS n 
1 32 LYS n 
1 33 THR n 
1 34 LEU n 
1 35 ASN n 
1 36 GLN n 
1 37 VAL n 
1 38 LEU n 
1 39 TYR n 
1 40 ARG n 
1 41 LEU n 
1 42 LYS n 
1 43 LYS n 
1 44 GLU n 
1 45 ASP n 
1 46 ARG n 
1 47 VAL n 
1 48 SER n 
1 49 SER n 
1 50 PRO n 
1 51 GLU n 
1 52 PRO n 
1 53 ALA n 
1 54 THR n 
1 55 TRP n 
1 56 SER n 
1 57 ILE n 
1 58 GLY n 
1 59 GLY n 
2 1  DC  n 
2 2  DA  n 
2 3  DC  n 
2 4  DG  n 
2 5  DC  n 
2 6  DA  n 
3 1  U   n 
3 2  G   n 
3 3  C   n 
3 4  G   n 
3 5  U   n 
3 6  G   n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   59 
_entity_src_gen.gene_src_common_name               'house mouse' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'Zbp1, Dlm1' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_pdbx_entity_src_syn.entity_id 
_pdbx_entity_src_syn.pdbx_src_id 
_pdbx_entity_src_syn.pdbx_alt_source_flag 
_pdbx_entity_src_syn.pdbx_beg_seq_num 
_pdbx_entity_src_syn.pdbx_end_seq_num 
_pdbx_entity_src_syn.organism_scientific 
_pdbx_entity_src_syn.organism_common_name 
_pdbx_entity_src_syn.ncbi_taxonomy_id 
_pdbx_entity_src_syn.details 
2 1 sample 1 6 'Homo sapiens' ? 9606 ? 
3 1 sample 1 6 'Homo sapiens' ? 9606 ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE                              ? 'C3 H7 N O2'      89.093  
ARG 'L-peptide linking' y ARGININE                             ? 'C6 H15 N4 O2 1'  175.209 
ASN 'L-peptide linking' y ASPARAGINE                           ? 'C4 H8 N2 O3'     132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'                      ? 'C4 H7 N O4'      133.103 
C   'RNA linking'       y "CYTIDINE-5'-MONOPHOSPHATE"          ? 'C9 H14 N3 O8 P'  323.197 
CYS 'L-peptide linking' y CYSTEINE                             ? 'C3 H7 N O2 S'    121.158 
DA  'DNA linking'       y "2'-DEOXYADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O6 P' 331.222 
DC  'DNA linking'       y "2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE"  ? 'C9 H14 N3 O7 P'  307.197 
DG  'DNA linking'       y "2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221 
G   'RNA linking'       y "GUANOSINE-5'-MONOPHOSPHATE"         ? 'C10 H14 N5 O8 P' 363.221 
GLN 'L-peptide linking' y GLUTAMINE                            ? 'C5 H10 N2 O3'    146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'                      ? 'C5 H9 N O4'      147.129 
GLY 'peptide linking'   y GLYCINE                              ? 'C2 H5 N O2'      75.067  
HOH non-polymer         . WATER                                ? 'H2 O'            18.015  
ILE 'L-peptide linking' y ISOLEUCINE                           ? 'C6 H13 N O2'     131.173 
LEU 'L-peptide linking' y LEUCINE                              ? 'C6 H13 N O2'     131.173 
LYS 'L-peptide linking' y LYSINE                               ? 'C6 H15 N2 O2 1'  147.195 
PRO 'L-peptide linking' y PROLINE                              ? 'C5 H9 N O2'      115.130 
SER 'L-peptide linking' y SERINE                               ? 'C3 H7 N O3'      105.093 
THR 'L-peptide linking' y THREONINE                            ? 'C4 H9 N O3'      119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                           ? 'C11 H12 N2 O2'   204.225 
TYR 'L-peptide linking' y TYROSINE                             ? 'C9 H11 N O3'     181.189 
U   'RNA linking'       y "URIDINE-5'-MONOPHOSPHATE"           ? 'C9 H13 N2 O9 P'  324.181 
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  ASP 1  12  12  ASP ASP A . n 
A 1 2  ASN 2  13  13  ASN ASN A . n 
A 1 3  LEU 3  14  14  LEU LEU A . n 
A 1 4  GLU 4  15  15  GLU GLU A . n 
A 1 5  GLN 5  16  16  GLN GLN A . n 
A 1 6  LYS 6  17  17  LYS LYS A . n 
A 1 7  ILE 7  18  18  ILE ILE A . n 
A 1 8  LEU 8  19  19  LEU LEU A . n 
A 1 9  GLN 9  20  20  GLN GLN A . n 
A 1 10 VAL 10 21  21  VAL VAL A . n 
A 1 11 LEU 11 22  22  LEU LEU A . n 
A 1 12 SER 12 23  23  SER SER A . n 
A 1 13 ASP 13 24  24  ASP ASP A . n 
A 1 14 ASP 14 25  25  ASP ASP A . n 
A 1 15 GLY 15 26  26  GLY GLY A . n 
A 1 16 GLY 16 27  27  GLY GLY A . n 
A 1 17 PRO 17 28  28  PRO PRO A . n 
A 1 18 VAL 18 29  29  VAL VAL A . n 
A 1 19 LYS 19 30  30  LYS LYS A . n 
A 1 20 ILE 20 31  31  ILE ILE A . n 
A 1 21 GLY 21 32  32  GLY GLY A . n 
A 1 22 GLN 22 33  33  GLN GLN A . n 
A 1 23 LEU 23 34  34  LEU LEU A . n 
A 1 24 VAL 24 35  35  VAL VAL A . n 
A 1 25 LYS 25 36  36  LYS LYS A . n 
A 1 26 LYS 26 37  37  LYS LYS A . n 
A 1 27 CYS 27 38  38  CYS CYS A . n 
A 1 28 GLN 28 39  39  GLN GLN A . n 
A 1 29 VAL 29 40  40  VAL VAL A . n 
A 1 30 PRO 30 41  41  PRO PRO A . n 
A 1 31 LYS 31 42  42  LYS LYS A . n 
A 1 32 LYS 32 43  43  LYS LYS A . n 
A 1 33 THR 33 44  44  THR THR A . n 
A 1 34 LEU 34 45  45  LEU LEU A . n 
A 1 35 ASN 35 46  46  ASN ASN A . n 
A 1 36 GLN 36 47  47  GLN GLN A . n 
A 1 37 VAL 37 48  48  VAL VAL A . n 
A 1 38 LEU 38 49  49  LEU LEU A . n 
A 1 39 TYR 39 50  50  TYR TYR A . n 
A 1 40 ARG 40 51  51  ARG ARG A . n 
A 1 41 LEU 41 52  52  LEU LEU A . n 
A 1 42 LYS 42 53  53  LYS LYS A . n 
A 1 43 LYS 43 54  54  LYS LYS A . n 
A 1 44 GLU 44 55  55  GLU GLU A . n 
A 1 45 ASP 45 56  56  ASP ASP A . n 
A 1 46 ARG 46 57  57  ARG ARG A . n 
A 1 47 VAL 47 58  58  VAL VAL A . n 
A 1 48 SER 48 59  59  SER SER A . n 
A 1 49 SER 49 60  60  SER SER A . n 
A 1 50 PRO 50 61  61  PRO PRO A . n 
A 1 51 GLU 51 62  62  GLU GLU A . n 
A 1 52 PRO 52 63  63  PRO PRO A . n 
A 1 53 ALA 53 64  64  ALA ALA A . n 
A 1 54 THR 54 65  65  THR THR A . n 
A 1 55 TRP 55 66  66  TRP TRP A . n 
A 1 56 SER 56 67  67  SER SER A . n 
A 1 57 ILE 57 68  68  ILE ILE A . n 
A 1 58 GLY 58 69  69  GLY GLY A . n 
A 1 59 GLY 59 70  ?   ?   ?   A . n 
B 2 1  DC  1  201 201 DC  DC  C . n 
B 2 2  DA  2  202 202 DA  DA  C . n 
B 2 3  DC  3  203 203 DC  DC  C . n 
B 2 4  DG  4  204 204 DG  DG  C . n 
B 2 5  DC  5  205 205 DC  DC  C . n 
B 2 6  DA  6  206 206 DA  DA  C . n 
C 3 1  U   1  1   1   U   U   B . n 
C 3 2  G   2  2   2   G   G   B . n 
C 3 3  C   3  3   3   C   C   B . n 
C 3 4  G   4  4   4   G   G   B . n 
C 3 5  U   5  5   5   U   U   B . n 
C 3 6  G   6  6   6   G   G   B . 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 
D 4 HOH 1  101 1  HOH HOH A . 
D 4 HOH 2  102 21 HOH HOH A . 
D 4 HOH 3  103 7  HOH HOH A . 
D 4 HOH 4  104 6  HOH HOH A . 
D 4 HOH 5  105 13 HOH HOH A . 
D 4 HOH 6  106 17 HOH HOH A . 
D 4 HOH 7  107 8  HOH HOH A . 
D 4 HOH 8  108 9  HOH HOH A . 
D 4 HOH 9  109 4  HOH HOH A . 
D 4 HOH 10 110 5  HOH HOH A . 
D 4 HOH 11 111 11 HOH HOH A . 
D 4 HOH 12 112 22 HOH HOH A . 
D 4 HOH 13 113 33 HOH HOH A . 
D 4 HOH 14 114 30 HOH HOH A . 
D 4 HOH 15 115 32 HOH HOH A . 
D 4 HOH 16 116 10 HOH HOH A . 
D 4 HOH 17 117 31 HOH HOH A . 
D 4 HOH 18 118 12 HOH HOH A . 
D 4 HOH 19 119 35 HOH HOH A . 
D 4 HOH 20 120 37 HOH HOH A . 
E 4 HOH 1  301 14 HOH HOH C . 
E 4 HOH 2  302 24 HOH HOH C . 
E 4 HOH 3  303 29 HOH HOH C . 
E 4 HOH 4  304 18 HOH HOH C . 
E 4 HOH 5  305 26 HOH HOH C . 
E 4 HOH 6  306 20 HOH HOH C . 
F 4 HOH 1  101 2  HOH HOH B . 
F 4 HOH 2  102 23 HOH HOH B . 
F 4 HOH 3  103 36 HOH HOH B . 
F 4 HOH 4  104 19 HOH HOH B . 
F 4 HOH 5  105 16 HOH HOH B . 
F 4 HOH 6  106 28 HOH HOH B . 
F 4 HOH 7  107 15 HOH HOH B . 
F 4 HOH 8  108 3  HOH HOH B . 
F 4 HOH 9  109 27 HOH HOH B . 
F 4 HOH 10 110 25 HOH HOH B . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 A ASP 12 ? CG  ? A ASP 1  CG  
2 1 Y 1 A ASP 12 ? OD1 ? A ASP 1  OD1 
3 1 Y 1 A ASP 12 ? OD2 ? A ASP 1  OD2 
4 1 Y 1 A LYS 42 ? CD  ? A LYS 31 CD  
5 1 Y 1 A LYS 42 ? CE  ? A LYS 31 CE  
6 1 Y 1 A LYS 42 ? NZ  ? A LYS 31 NZ  
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX  ? ? ? '(1.21rc1_4924: ???)' 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS     ? ? ? .                     2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .                     3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .                     4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  120.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9J8G 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     63.381 
_cell.length_a_esd                 ? 
_cell.length_b                     63.381 
_cell.length_b_esd                 ? 
_cell.length_c                     71.150 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        12 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         9J8G 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                179 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 65 2 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9J8G 
_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             2.01 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          38.92 
_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    'PEG 4000' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            278 
# 
_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 PILATUS 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2024-05-11 
_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   0.97907 
_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                        'SSRF BEAMLINE BL19U1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.97907 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   BL19U1 
_diffrn_source.pdbx_synchrotron_site       SSRF 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9J8G 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.8 
_reflns.d_resolution_low                               43.46 
_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                                     14810 
_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                           99.89 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                16.7 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          16.17 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.09103 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.8 
_reflns_shell.d_res_low                                     1.94 
_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                             1580 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.811 
_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                                  0.8394 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               ? 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9J8G 
_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                            1.80 
_refine.ls_d_res_low                             43.46 
_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                     14810 
_refine.ls_number_reflns_R_free                  728 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.89 
_refine.ls_percent_reflns_R_free                 4.92 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2025 
_refine.ls_R_factor_R_free                       0.2344 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2008 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.35 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ML 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.10 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.90 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 32.29 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            0.22 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.80 
_refine_hist.d_res_low                        43.46 
_refine_hist.number_atoms_solvent             36 
_refine_hist.number_atoms_total               735 
_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        449 
_refine_hist.pdbx_number_atoms_nucleic_acid   250 
_refine_hist.pdbx_number_atoms_ligand         0 
_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' ? 0.008  ? ?   ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.035  ? ?   ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 20.604 ? 186 ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.066  ? 126 ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.007  ? 90  ? f_plane_restr      ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.80 1.94  . . 146 2787 99.00  . . . . 0.2794 . . . . . . . . . . . 0.3186 
'X-RAY DIFFRACTION' 1.94 2.13  . . 128 2833 100.00 . . . . 0.2368 . . . . . . . . . . . 0.2956 
'X-RAY DIFFRACTION' 2.13 2.44  . . 154 2834 100.00 . . . . 0.2318 . . . . . . . . . . . 0.2694 
'X-RAY DIFFRACTION' 2.44 3.08  . . 145 2808 100.00 . . . . 0.2243 . . . . . . . . . . . 0.2677 
'X-RAY DIFFRACTION' 3.08 43.46 . . 155 2820 100.00 . . . . 0.1694 . . . . . . . . . . . 0.2011 
# 
_struct.entry_id                     9J8G 
_struct.title                        'mouse zbp1 hybrid complex' 
_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        9J8G 
_struct_keywords.text            'zbp1, DNA BINDING PROTEIN/DNA/RNA, DNA BINDING PROTEIN-DNA-RNA complex' 
_struct_keywords.pdbx_keywords   'DNA BINDING PROTEIN/DNA/RNA' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 4 ? 
F N N 4 ? 
# 
loop_
_struct_ref.id 
_struct_ref.db_name 
_struct_ref.db_code 
_struct_ref.pdbx_db_accession 
_struct_ref.pdbx_db_isoform 
_struct_ref.entity_id 
_struct_ref.pdbx_seq_one_letter_code 
_struct_ref.pdbx_align_begin 
1 UNP ZBP1_MOUSE Q9QY24 ? 1 DNLEQKILQVLSDDGGPVKIGQLVKKCQVPKKTLNQVLYRLKKEDRVSSPEPATWSIGG 12 
2 PDB 9J8G       9J8G   ? 2 ?                                                           1  
3 PDB 9J8G       9J8G   ? 3 ?                                                           1  
# 
loop_
_struct_ref_seq.align_id 
_struct_ref_seq.ref_id 
_struct_ref_seq.pdbx_PDB_id_code 
_struct_ref_seq.pdbx_strand_id 
_struct_ref_seq.seq_align_beg 
_struct_ref_seq.pdbx_seq_align_beg_ins_code 
_struct_ref_seq.seq_align_end 
_struct_ref_seq.pdbx_seq_align_end_ins_code 
_struct_ref_seq.pdbx_db_accession 
_struct_ref_seq.db_align_beg 
_struct_ref_seq.pdbx_db_align_beg_ins_code 
_struct_ref_seq.db_align_end 
_struct_ref_seq.pdbx_db_align_end_ins_code 
_struct_ref_seq.pdbx_auth_seq_align_beg 
_struct_ref_seq.pdbx_auth_seq_align_end 
1 1 9J8G A 1 ? 59 ? Q9QY24 12  ? 70  ? 12  70  
2 2 9J8G C 1 ? 6  ? 9J8G   201 ? 206 ? 201 206 
3 3 9J8G B 1 ? 6  ? 9J8G   1   ? 6   ? 1   6   
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   hexameric 
_pdbx_struct_assembly.oligomeric_count     6 
# 
loop_
_pdbx_struct_assembly_gen.assembly_id 
_pdbx_struct_assembly_gen.oper_expression 
_pdbx_struct_assembly_gen.asym_id_list 
1 1 A,B,C,D,E,F 
1 2 A,B,C,D,E,F 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555  x,y,z            1.0000000000 0.0000000000  0.0000000000 0.0000000000   0.0000000000  
1.0000000000  0.0000000000 0.0000000000   0.0000000000 0.0000000000 1.0000000000  0.0000000000  
2 'crystal symmetry operation' 10_445 -y-1,-x-1,-z+1/6 0.5000000000 -0.8660254038 0.0000000000 -31.6905000000 -0.8660254038 
-0.5000000000 0.0000000000 -54.8895561173 0.0000000000 0.0000000000 -1.0000000000 11.8583333333 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 ASP A 1  ? GLY A 15 ? ASP A 12 GLY A 26 1 ? 15 
HELX_P HELX_P2 AA2 ILE A 20 ? GLN A 28 ? ILE A 31 GLN A 39 1 ? 9  
HELX_P HELX_P3 AA3 PRO A 30 ? GLU A 44 ? PRO A 41 GLU A 55 1 ? 15 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
hydrog1  hydrog ? ? C U  1 N3 B ? ? 1_555 C G  6 O6 B ? B U  1   B G  6   10_445 ? ? ? ? ? ? TYPE_28_PAIR    ? ? ? 
hydrog2  hydrog ? ? C U  1 O2 B ? ? 1_555 C G  6 N1 B ? B U  1   B G  6   10_445 ? ? ? ? ? ? TYPE_28_PAIR    ? ? ? 
hydrog3  hydrog ? ? C G  2 N1 B ? ? 1_555 C U  5 O2 B ? B G  2   B U  5   10_445 ? ? ? ? ? ? TYPE_28_PAIR    ? ? ? 
hydrog4  hydrog ? ? C G  2 O6 B ? ? 1_555 C U  5 N3 B ? B G  2   B U  5   10_445 ? ? ? ? ? ? TYPE_28_PAIR    ? ? ? 
hydrog5  hydrog ? ? C C  3 N3 B ? ? 1_555 C G  4 N1 B ? B C  3   B G  4   10_445 ? ? ? ? ? ? WATSON-CRICK    ? ? ? 
hydrog6  hydrog ? ? C C  3 N4 B ? ? 1_555 C G  4 O6 B ? B C  3   B G  4   10_445 ? ? ? ? ? ? WATSON-CRICK    ? ? ? 
hydrog7  hydrog ? ? C C  3 O2 B ? ? 1_555 C G  4 N2 B ? B C  3   B G  4   10_445 ? ? ? ? ? ? WATSON-CRICK    ? ? ? 
hydrog8  hydrog ? ? C G  4 N1 B ? ? 1_555 C C  3 N3 B ? B G  4   B C  3   10_445 ? ? ? ? ? ? WATSON-CRICK    ? ? ? 
hydrog9  hydrog ? ? C G  4 N2 B ? ? 1_555 C C  3 O2 B ? B G  4   B C  3   10_445 ? ? ? ? ? ? WATSON-CRICK    ? ? ? 
hydrog10 hydrog ? ? C G  4 O6 B ? ? 1_555 C C  3 N4 B ? B G  4   B C  3   10_445 ? ? ? ? ? ? WATSON-CRICK    ? ? ? 
hydrog11 hydrog ? ? C U  5 N3 B ? ? 1_555 C G  2 O6 B ? B U  5   B G  2   10_445 ? ? ? ? ? ? TYPE_28_PAIR    ? ? ? 
hydrog12 hydrog ? ? C U  5 O2 B ? ? 1_555 C G  2 N1 B ? B U  5   B G  2   10_445 ? ? ? ? ? ? TYPE_28_PAIR    ? ? ? 
hydrog13 hydrog ? ? C G  6 N1 B ? ? 1_555 C U  1 O2 B ? B G  6   B U  1   10_445 ? ? ? ? ? ? TYPE_28_PAIR    ? ? ? 
hydrog14 hydrog ? ? C G  6 O6 B ? ? 1_555 C U  1 N3 B ? B G  6   B U  1   10_445 ? ? ? ? ? ? TYPE_28_PAIR    ? ? ? 
hydrog15 hydrog ? ? B DC 1 N4 A ? ? 1_555 B DA 6 N1 A ? C DC 201 C DA 206 10_445 ? ? ? ? ? ? 'DC-DA MISPAIR' ? ? ? 
hydrog16 hydrog ? ? B DA 2 N6 A ? ? 1_555 B DC 5 N3 A ? C DA 202 C DC 205 10_445 ? ? ? ? ? ? 'DA-DC MISPAIR' ? ? ? 
hydrog17 hydrog ? ? B DC 3 N3 A ? ? 1_555 B DG 4 N1 A ? C DC 203 C DG 204 10_445 ? ? ? ? ? ? WATSON-CRICK    ? ? ? 
hydrog18 hydrog ? ? B DC 3 N4 A ? ? 1_555 B DG 4 O6 A ? C DC 203 C DG 204 10_445 ? ? ? ? ? ? WATSON-CRICK    ? ? ? 
hydrog19 hydrog ? ? B DC 3 O2 A ? ? 1_555 B DG 4 N2 A ? C DC 203 C DG 204 10_445 ? ? ? ? ? ? WATSON-CRICK    ? ? ? 
hydrog20 hydrog ? ? B DG 4 N1 A ? ? 1_555 B DC 3 N3 A ? C DG 204 C DC 203 10_445 ? ? ? ? ? ? WATSON-CRICK    ? ? ? 
hydrog21 hydrog ? ? B DG 4 N2 A ? ? 1_555 B DC 3 O2 A ? C DG 204 C DC 203 10_445 ? ? ? ? ? ? WATSON-CRICK    ? ? ? 
hydrog22 hydrog ? ? B DG 4 O6 A ? ? 1_555 B DC 3 N4 A ? C DG 204 C DC 203 10_445 ? ? ? ? ? ? WATSON-CRICK    ? ? ? 
hydrog23 hydrog ? ? B DC 5 N3 A ? ? 1_555 B DA 2 N6 A ? C DC 205 C DA 202 10_445 ? ? ? ? ? ? 'DC-DA MISPAIR' ? ? ? 
hydrog24 hydrog ? ? B DA 6 N1 A ? ? 1_555 B DC 1 N4 A ? C DA 206 C DC 201 10_445 ? ? ? ? ? ? 'DA-DC MISPAIR' ? ? ? 
# 
_struct_conn_type.id          hydrog 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   3 
_struct_sheet.details          ? 
# 
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 
AA1 2 3 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 VAL A 18 ? LYS A 19 ? VAL A 29 LYS A 30 
AA1 2 THR A 54 ? ILE A 57 ? THR A 65 ILE A 68 
AA1 3 VAL A 47 ? GLU A 51 ? VAL A 58 GLU A 62 
# 
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 18 ? N VAL A 29 O TRP A 55 ? O TRP A 66 
AA1 2 3 O SER A 56 ? O SER A 67 N SER A 48 ? N SER A 59 
# 
_pdbx_entry_details.entry_id                   9J8G 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     ? 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_rmsd_bond.id                        1 
_pdbx_validate_rmsd_bond.PDB_model_num             1 
_pdbx_validate_rmsd_bond.auth_atom_id_1            "O3'" 
_pdbx_validate_rmsd_bond.auth_asym_id_1            C 
_pdbx_validate_rmsd_bond.auth_comp_id_1            DC 
_pdbx_validate_rmsd_bond.auth_seq_id_1             201 
_pdbx_validate_rmsd_bond.PDB_ins_code_1            ? 
_pdbx_validate_rmsd_bond.label_alt_id_1            A 
_pdbx_validate_rmsd_bond.auth_atom_id_2            "C3'" 
_pdbx_validate_rmsd_bond.auth_asym_id_2            C 
_pdbx_validate_rmsd_bond.auth_comp_id_2            DC 
_pdbx_validate_rmsd_bond.auth_seq_id_2             201 
_pdbx_validate_rmsd_bond.PDB_ins_code_2            ? 
_pdbx_validate_rmsd_bond.label_alt_id_2            A 
_pdbx_validate_rmsd_bond.bond_value                1.381 
_pdbx_validate_rmsd_bond.bond_target_value         1.419 
_pdbx_validate_rmsd_bond.bond_deviation            -0.038 
_pdbx_validate_rmsd_bond.bond_standard_deviation   0.006 
_pdbx_validate_rmsd_bond.linker_flag               N 
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    A 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     116 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   D 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
loop_
_pdbx_refine_tls.id 
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[1][1]_esd 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][2]_esd 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[1][3]_esd 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[2][2]_esd 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.T[2][3]_esd 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[3][3]_esd 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[1][1]_esd 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][2]_esd 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[1][3]_esd 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[2][2]_esd 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.L[2][3]_esd 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[3][3]_esd 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][1]_esd 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][2]_esd 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[1][3]_esd 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][1]_esd 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][2]_esd 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[2][3]_esd 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][1]_esd 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][2]_esd 
_pdbx_refine_tls.S[3][3] 
_pdbx_refine_tls.S[3][3]_esd 
1 'X-RAY DIFFRACTION' ? refined 4.1753  -13.3392 -0.3666 0.3672 ? -0.0841 ? -0.0274 ? 0.3508 ? 0.0474  ? 0.3795 ? 8.3882 ? 1.7170  
? 6.0715  ? 1.1714 ? 1.3551  ? 5.9131 ? -0.2473 ? 0.4606  ? 1.0268  ? 0.0794  ? -0.1860 ? 0.1513  ? -0.7977 ? 0.1048  ? 0.2010  ? 
2 'X-RAY DIFFRACTION' ? refined 2.9999  -17.7006 7.9686  0.2400 ? -0.0921 ? 0.0190  ? 0.3776 ? -0.0102 ? 0.3144 ? 6.7102 ? -0.7417 
? 0.0404  ? 0.9453 ? -0.4575 ? 5.7065 ? 0.0780  ? -0.1696 ? 0.2364  ? 0.1718  ? -0.1286 ? -0.1278 ? -0.0549 ? -0.3298 ? -0.0404 ? 
3 'X-RAY DIFFRACTION' ? refined 1.7858  -25.2894 -1.3956 0.4331 ? -0.1694 ? -0.0499 ? 0.3691 ? -0.0284 ? 0.2590 ? 9.2684 ? 1.4651  
? -3.7800 ? 4.5703 ? -1.1911 ? 5.5258 ? -0.2976 ? 0.7228  ? -0.3319 ? -0.6279 ? 0.0249  ? 0.4194  ? 0.6939  ? -0.6533 ? 0.2998  ? 
4 'X-RAY DIFFRACTION' ? refined 10.8799 -23.0860 0.1486  0.3328 ? -0.0409 ? 0.0609  ? 0.4157 ? 0.0043  ? 0.3467 ? 4.8000 ? 0.8679  
? -1.7751 ? 7.2736 ? -2.0139 ? 7.2311 ? -0.1188 ? 0.1906  ? 0.0864  ? -0.7381 ? -0.2002 ? -0.9070 ? 0.4669  ? 0.9233  ? 0.2847  ? 
5 'X-RAY DIFFRACTION' ? refined 1.2433  -33.9582 4.4329  0.2874 ? -0.0728 ? -0.0250 ? 0.4231 ? -0.0086 ? 0.2979 ? 1.0202 ? -0.3201 
? -0.9815 ? 1.9759 ? -0.6638 ? 1.6334 ? -0.0513 ? -0.2177 ? -0.0805 ? 0.4032  ? -0.2910 ? -0.4008 ? 0.1077  ? 0.2815  ? 0.3310  ? 
6 'X-RAY DIFFRACTION' ? refined 0.3391  -33.9416 4.2531  0.4601 ? -0.2200 ? 0.0036  ? 0.4516 ? -0.0848 ? 0.3107 ? 0.5316 ? -0.3188 
? -0.7741 ? 3.1415 ? -0.9395 ? 1.7694 ? -0.2646 ? 0.4457  ? -0.2346 ? 0.1024  ? -0.2678 ? 0.3317  ? 0.1770  ? -0.2797 ? 0.2799  ? 
# 
loop_
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_PDB_ins_code 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_PDB_ins_code 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
1 'X-RAY DIFFRACTION' 1 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 12 through 25 )
;
2 'X-RAY DIFFRACTION' 2 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 26 through 41 )
;
3 'X-RAY DIFFRACTION' 3 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 42 through 54 )
;
4 'X-RAY DIFFRACTION' 4 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 55 through 69 )
;
5 'X-RAY DIFFRACTION' 5 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'C' and (resid 201 through 206 )
;
6 'X-RAY DIFFRACTION' 6 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 1 through 6 )
;
# 
_pdbx_unobs_or_zero_occ_residues.id               1 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num    1 
_pdbx_unobs_or_zero_occ_residues.polymer_flag     Y 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag   1 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id     A 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id     GLY 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id      70 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code     ? 
_pdbx_unobs_or_zero_occ_residues.label_asym_id    A 
_pdbx_unobs_or_zero_occ_residues.label_comp_id    GLY 
_pdbx_unobs_or_zero_occ_residues.label_seq_id     59 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N      N N N 1   
ALA CA     C N S 2   
ALA C      C N N 3   
ALA O      O N N 4   
ALA CB     C N N 5   
ALA OXT    O N N 6   
ALA H      H N N 7   
ALA H2     H N N 8   
ALA HA     H N N 9   
ALA HB1    H N N 10  
ALA HB2    H N N 11  
ALA HB3    H N N 12  
ALA HXT    H N N 13  
ARG N      N N N 14  
ARG CA     C N S 15  
ARG C      C N N 16  
ARG O      O N N 17  
ARG CB     C N N 18  
ARG CG     C N N 19  
ARG CD     C N N 20  
ARG NE     N N N 21  
ARG CZ     C N N 22  
ARG NH1    N N N 23  
ARG NH2    N N N 24  
ARG OXT    O N N 25  
ARG H      H N N 26  
ARG H2     H N N 27  
ARG HA     H N N 28  
ARG HB2    H N N 29  
ARG HB3    H N N 30  
ARG HG2    H N N 31  
ARG HG3    H N N 32  
ARG HD2    H N N 33  
ARG HD3    H N N 34  
ARG HE     H N N 35  
ARG HH11   H N N 36  
ARG HH12   H N N 37  
ARG HH21   H N N 38  
ARG HH22   H N N 39  
ARG HXT    H N N 40  
ASN N      N N N 41  
ASN CA     C N S 42  
ASN C      C N N 43  
ASN O      O N N 44  
ASN CB     C N N 45  
ASN CG     C N N 46  
ASN OD1    O N N 47  
ASN ND2    N N N 48  
ASN OXT    O N N 49  
ASN H      H N N 50  
ASN H2     H N N 51  
ASN HA     H N N 52  
ASN HB2    H N N 53  
ASN HB3    H N N 54  
ASN HD21   H N N 55  
ASN HD22   H N N 56  
ASN HXT    H N N 57  
ASP N      N N N 58  
ASP CA     C N S 59  
ASP C      C N N 60  
ASP O      O N N 61  
ASP CB     C N N 62  
ASP CG     C N N 63  
ASP OD1    O N N 64  
ASP OD2    O N N 65  
ASP OXT    O N N 66  
ASP H      H N N 67  
ASP H2     H N N 68  
ASP HA     H N N 69  
ASP HB2    H N N 70  
ASP HB3    H N N 71  
ASP HD2    H N N 72  
ASP HXT    H N N 73  
C   OP3    O N N 74  
C   P      P N N 75  
C   OP1    O N N 76  
C   OP2    O N N 77  
C   "O5'"  O N N 78  
C   "C5'"  C N N 79  
C   "C4'"  C N R 80  
C   "O4'"  O N N 81  
C   "C3'"  C N S 82  
C   "O3'"  O N N 83  
C   "C2'"  C N R 84  
C   "O2'"  O N N 85  
C   "C1'"  C N R 86  
C   N1     N N N 87  
C   C2     C N N 88  
C   O2     O N N 89  
C   N3     N N N 90  
C   C4     C N N 91  
C   N4     N N N 92  
C   C5     C N N 93  
C   C6     C N N 94  
C   HOP3   H N N 95  
C   HOP2   H N N 96  
C   "H5'"  H N N 97  
C   "H5''" H N N 98  
C   "H4'"  H N N 99  
C   "H3'"  H N N 100 
C   "HO3'" H N N 101 
C   "H2'"  H N N 102 
C   "HO2'" H N N 103 
C   "H1'"  H N N 104 
C   H41    H N N 105 
C   H42    H N N 106 
C   H5     H N N 107 
C   H6     H N N 108 
CYS N      N N N 109 
CYS CA     C N R 110 
CYS C      C N N 111 
CYS O      O N N 112 
CYS CB     C N N 113 
CYS SG     S N N 114 
CYS OXT    O N N 115 
CYS H      H N N 116 
CYS H2     H N N 117 
CYS HA     H N N 118 
CYS HB2    H N N 119 
CYS HB3    H N N 120 
CYS HG     H N N 121 
CYS HXT    H N N 122 
DA  OP3    O N N 123 
DA  P      P N N 124 
DA  OP1    O N N 125 
DA  OP2    O N N 126 
DA  "O5'"  O N N 127 
DA  "C5'"  C N N 128 
DA  "C4'"  C N R 129 
DA  "O4'"  O N N 130 
DA  "C3'"  C N S 131 
DA  "O3'"  O N N 132 
DA  "C2'"  C N N 133 
DA  "C1'"  C N R 134 
DA  N9     N Y N 135 
DA  C8     C Y N 136 
DA  N7     N Y N 137 
DA  C5     C Y N 138 
DA  C6     C Y N 139 
DA  N6     N N N 140 
DA  N1     N Y N 141 
DA  C2     C Y N 142 
DA  N3     N Y N 143 
DA  C4     C Y N 144 
DA  HOP3   H N N 145 
DA  HOP2   H N N 146 
DA  "H5'"  H N N 147 
DA  "H5''" H N N 148 
DA  "H4'"  H N N 149 
DA  "H3'"  H N N 150 
DA  "HO3'" H N N 151 
DA  "H2'"  H N N 152 
DA  "H2''" H N N 153 
DA  "H1'"  H N N 154 
DA  H8     H N N 155 
DA  H61    H N N 156 
DA  H62    H N N 157 
DA  H2     H N N 158 
DC  OP3    O N N 159 
DC  P      P N N 160 
DC  OP1    O N N 161 
DC  OP2    O N N 162 
DC  "O5'"  O N N 163 
DC  "C5'"  C N N 164 
DC  "C4'"  C N R 165 
DC  "O4'"  O N N 166 
DC  "C3'"  C N S 167 
DC  "O3'"  O N N 168 
DC  "C2'"  C N N 169 
DC  "C1'"  C N R 170 
DC  N1     N N N 171 
DC  C2     C N N 172 
DC  O2     O N N 173 
DC  N3     N N N 174 
DC  C4     C N N 175 
DC  N4     N N N 176 
DC  C5     C N N 177 
DC  C6     C N N 178 
DC  HOP3   H N N 179 
DC  HOP2   H N N 180 
DC  "H5'"  H N N 181 
DC  "H5''" H N N 182 
DC  "H4'"  H N N 183 
DC  "H3'"  H N N 184 
DC  "HO3'" H N N 185 
DC  "H2'"  H N N 186 
DC  "H2''" H N N 187 
DC  "H1'"  H N N 188 
DC  H41    H N N 189 
DC  H42    H N N 190 
DC  H5     H N N 191 
DC  H6     H N N 192 
DG  OP3    O N N 193 
DG  P      P N N 194 
DG  OP1    O N N 195 
DG  OP2    O N N 196 
DG  "O5'"  O N N 197 
DG  "C5'"  C N N 198 
DG  "C4'"  C N R 199 
DG  "O4'"  O N N 200 
DG  "C3'"  C N S 201 
DG  "O3'"  O N N 202 
DG  "C2'"  C N N 203 
DG  "C1'"  C N R 204 
DG  N9     N Y N 205 
DG  C8     C Y N 206 
DG  N7     N Y N 207 
DG  C5     C Y N 208 
DG  C6     C N N 209 
DG  O6     O N N 210 
DG  N1     N N N 211 
DG  C2     C N N 212 
DG  N2     N N N 213 
DG  N3     N N N 214 
DG  C4     C Y N 215 
DG  HOP3   H N N 216 
DG  HOP2   H N N 217 
DG  "H5'"  H N N 218 
DG  "H5''" H N N 219 
DG  "H4'"  H N N 220 
DG  "H3'"  H N N 221 
DG  "HO3'" H N N 222 
DG  "H2'"  H N N 223 
DG  "H2''" H N N 224 
DG  "H1'"  H N N 225 
DG  H8     H N N 226 
DG  H1     H N N 227 
DG  H21    H N N 228 
DG  H22    H N N 229 
G   OP3    O N N 230 
G   P      P N N 231 
G   OP1    O N N 232 
G   OP2    O N N 233 
G   "O5'"  O N N 234 
G   "C5'"  C N N 235 
G   "C4'"  C N R 236 
G   "O4'"  O N N 237 
G   "C3'"  C N S 238 
G   "O3'"  O N N 239 
G   "C2'"  C N R 240 
G   "O2'"  O N N 241 
G   "C1'"  C N R 242 
G   N9     N Y N 243 
G   C8     C Y N 244 
G   N7     N Y N 245 
G   C5     C Y N 246 
G   C6     C N N 247 
G   O6     O N N 248 
G   N1     N N N 249 
G   C2     C N N 250 
G   N2     N N N 251 
G   N3     N N N 252 
G   C4     C Y N 253 
G   HOP3   H N N 254 
G   HOP2   H N N 255 
G   "H5'"  H N N 256 
G   "H5''" H N N 257 
G   "H4'"  H N N 258 
G   "H3'"  H N N 259 
G   "HO3'" H N N 260 
G   "H2'"  H N N 261 
G   "HO2'" H N N 262 
G   "H1'"  H N N 263 
G   H8     H N N 264 
G   H1     H N N 265 
G   H21    H N N 266 
G   H22    H N N 267 
GLN N      N N N 268 
GLN CA     C N S 269 
GLN C      C N N 270 
GLN O      O N N 271 
GLN CB     C N N 272 
GLN CG     C N N 273 
GLN CD     C N N 274 
GLN OE1    O N N 275 
GLN NE2    N N N 276 
GLN OXT    O N N 277 
GLN H      H N N 278 
GLN H2     H N N 279 
GLN HA     H N N 280 
GLN HB2    H N N 281 
GLN HB3    H N N 282 
GLN HG2    H N N 283 
GLN HG3    H N N 284 
GLN HE21   H N N 285 
GLN HE22   H N N 286 
GLN HXT    H N N 287 
GLU N      N N N 288 
GLU CA     C N S 289 
GLU C      C N N 290 
GLU O      O N N 291 
GLU CB     C N N 292 
GLU CG     C N N 293 
GLU CD     C N N 294 
GLU OE1    O N N 295 
GLU OE2    O N N 296 
GLU OXT    O N N 297 
GLU H      H N N 298 
GLU H2     H N N 299 
GLU HA     H N N 300 
GLU HB2    H N N 301 
GLU HB3    H N N 302 
GLU HG2    H N N 303 
GLU HG3    H N N 304 
GLU HE2    H N N 305 
GLU HXT    H N N 306 
GLY N      N N N 307 
GLY CA     C N N 308 
GLY C      C N N 309 
GLY O      O N N 310 
GLY OXT    O N N 311 
GLY H      H N N 312 
GLY H2     H N N 313 
GLY HA2    H N N 314 
GLY HA3    H N N 315 
GLY HXT    H N N 316 
HOH O      O N N 317 
HOH H1     H N N 318 
HOH H2     H N N 319 
ILE N      N N N 320 
ILE CA     C N S 321 
ILE C      C N N 322 
ILE O      O N N 323 
ILE CB     C N S 324 
ILE CG1    C N N 325 
ILE CG2    C N N 326 
ILE CD1    C N N 327 
ILE OXT    O N N 328 
ILE H      H N N 329 
ILE H2     H N N 330 
ILE HA     H N N 331 
ILE HB     H N N 332 
ILE HG12   H N N 333 
ILE HG13   H N N 334 
ILE HG21   H N N 335 
ILE HG22   H N N 336 
ILE HG23   H N N 337 
ILE HD11   H N N 338 
ILE HD12   H N N 339 
ILE HD13   H N N 340 
ILE HXT    H N N 341 
LEU N      N N N 342 
LEU CA     C N S 343 
LEU C      C N N 344 
LEU O      O N N 345 
LEU CB     C N N 346 
LEU CG     C N N 347 
LEU CD1    C N N 348 
LEU CD2    C N N 349 
LEU OXT    O N N 350 
LEU H      H N N 351 
LEU H2     H N N 352 
LEU HA     H N N 353 
LEU HB2    H N N 354 
LEU HB3    H N N 355 
LEU HG     H N N 356 
LEU HD11   H N N 357 
LEU HD12   H N N 358 
LEU HD13   H N N 359 
LEU HD21   H N N 360 
LEU HD22   H N N 361 
LEU HD23   H N N 362 
LEU HXT    H N N 363 
LYS N      N N N 364 
LYS CA     C N S 365 
LYS C      C N N 366 
LYS O      O N N 367 
LYS CB     C N N 368 
LYS CG     C N N 369 
LYS CD     C N N 370 
LYS CE     C N N 371 
LYS NZ     N N N 372 
LYS OXT    O N N 373 
LYS H      H N N 374 
LYS H2     H N N 375 
LYS HA     H N N 376 
LYS HB2    H N N 377 
LYS HB3    H N N 378 
LYS HG2    H N N 379 
LYS HG3    H N N 380 
LYS HD2    H N N 381 
LYS HD3    H N N 382 
LYS HE2    H N N 383 
LYS HE3    H N N 384 
LYS HZ1    H N N 385 
LYS HZ2    H N N 386 
LYS HZ3    H N N 387 
LYS HXT    H N N 388 
PRO N      N N N 389 
PRO CA     C N S 390 
PRO C      C N N 391 
PRO O      O N N 392 
PRO CB     C N N 393 
PRO CG     C N N 394 
PRO CD     C N N 395 
PRO OXT    O N N 396 
PRO H      H N N 397 
PRO HA     H N N 398 
PRO HB2    H N N 399 
PRO HB3    H N N 400 
PRO HG2    H N N 401 
PRO HG3    H N N 402 
PRO HD2    H N N 403 
PRO HD3    H N N 404 
PRO HXT    H N N 405 
SER N      N N N 406 
SER CA     C N S 407 
SER C      C N N 408 
SER O      O N N 409 
SER CB     C N N 410 
SER OG     O N N 411 
SER OXT    O N N 412 
SER H      H N N 413 
SER H2     H N N 414 
SER HA     H N N 415 
SER HB2    H N N 416 
SER HB3    H N N 417 
SER HG     H N N 418 
SER HXT    H N N 419 
THR N      N N N 420 
THR CA     C N S 421 
THR C      C N N 422 
THR O      O N N 423 
THR CB     C N R 424 
THR OG1    O N N 425 
THR CG2    C N N 426 
THR OXT    O N N 427 
THR H      H N N 428 
THR H2     H N N 429 
THR HA     H N N 430 
THR HB     H N N 431 
THR HG1    H N N 432 
THR HG21   H N N 433 
THR HG22   H N N 434 
THR HG23   H N N 435 
THR HXT    H N N 436 
TRP N      N N N 437 
TRP CA     C N S 438 
TRP C      C N N 439 
TRP O      O N N 440 
TRP CB     C N N 441 
TRP CG     C Y N 442 
TRP CD1    C Y N 443 
TRP CD2    C Y N 444 
TRP NE1    N Y N 445 
TRP CE2    C Y N 446 
TRP CE3    C Y N 447 
TRP CZ2    C Y N 448 
TRP CZ3    C Y N 449 
TRP CH2    C Y N 450 
TRP OXT    O N N 451 
TRP H      H N N 452 
TRP H2     H N N 453 
TRP HA     H N N 454 
TRP HB2    H N N 455 
TRP HB3    H N N 456 
TRP HD1    H N N 457 
TRP HE1    H N N 458 
TRP HE3    H N N 459 
TRP HZ2    H N N 460 
TRP HZ3    H N N 461 
TRP HH2    H N N 462 
TRP HXT    H N N 463 
TYR N      N N N 464 
TYR CA     C N S 465 
TYR C      C N N 466 
TYR O      O N N 467 
TYR CB     C N N 468 
TYR CG     C Y N 469 
TYR CD1    C Y N 470 
TYR CD2    C Y N 471 
TYR CE1    C Y N 472 
TYR CE2    C Y N 473 
TYR CZ     C Y N 474 
TYR OH     O N N 475 
TYR OXT    O N N 476 
TYR H      H N N 477 
TYR H2     H N N 478 
TYR HA     H N N 479 
TYR HB2    H N N 480 
TYR HB3    H N N 481 
TYR HD1    H N N 482 
TYR HD2    H N N 483 
TYR HE1    H N N 484 
TYR HE2    H N N 485 
TYR HH     H N N 486 
TYR HXT    H N N 487 
U   OP3    O N N 488 
U   P      P N N 489 
U   OP1    O N N 490 
U   OP2    O N N 491 
U   "O5'"  O N N 492 
U   "C5'"  C N N 493 
U   "C4'"  C N R 494 
U   "O4'"  O N N 495 
U   "C3'"  C N S 496 
U   "O3'"  O N N 497 
U   "C2'"  C N R 498 
U   "O2'"  O N N 499 
U   "C1'"  C N R 500 
U   N1     N N N 501 
U   C2     C N N 502 
U   O2     O N N 503 
U   N3     N N N 504 
U   C4     C N N 505 
U   O4     O N N 506 
U   C5     C N N 507 
U   C6     C N N 508 
U   HOP3   H N N 509 
U   HOP2   H N N 510 
U   "H5'"  H N N 511 
U   "H5''" H N N 512 
U   "H4'"  H N N 513 
U   "H3'"  H N N 514 
U   "HO3'" H N N 515 
U   "H2'"  H N N 516 
U   "HO2'" H N N 517 
U   "H1'"  H N N 518 
U   H3     H N N 519 
U   H5     H N N 520 
U   H6     H N N 521 
VAL N      N N N 522 
VAL CA     C N S 523 
VAL C      C N N 524 
VAL O      O N N 525 
VAL CB     C N N 526 
VAL CG1    C N N 527 
VAL CG2    C N N 528 
VAL OXT    O N N 529 
VAL H      H N N 530 
VAL H2     H N N 531 
VAL HA     H N N 532 
VAL HB     H N N 533 
VAL HG11   H N N 534 
VAL HG12   H N N 535 
VAL HG13   H N N 536 
VAL HG21   H N N 537 
VAL HG22   H N N 538 
VAL HG23   H N N 539 
VAL HXT    H N N 540 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N     CA     sing N N 1   
ALA N     H      sing N N 2   
ALA N     H2     sing N N 3   
ALA CA    C      sing N N 4   
ALA CA    CB     sing N N 5   
ALA CA    HA     sing N N 6   
ALA C     O      doub N N 7   
ALA C     OXT    sing N N 8   
ALA CB    HB1    sing N N 9   
ALA CB    HB2    sing N N 10  
ALA CB    HB3    sing N N 11  
ALA OXT   HXT    sing N N 12  
ARG N     CA     sing N N 13  
ARG N     H      sing N N 14  
ARG N     H2     sing N N 15  
ARG CA    C      sing N N 16  
ARG CA    CB     sing N N 17  
ARG CA    HA     sing N N 18  
ARG C     O      doub N N 19  
ARG C     OXT    sing N N 20  
ARG CB    CG     sing N N 21  
ARG CB    HB2    sing N N 22  
ARG CB    HB3    sing N N 23  
ARG CG    CD     sing N N 24  
ARG CG    HG2    sing N N 25  
ARG CG    HG3    sing N N 26  
ARG CD    NE     sing N N 27  
ARG CD    HD2    sing N N 28  
ARG CD    HD3    sing N N 29  
ARG NE    CZ     sing N N 30  
ARG NE    HE     sing N N 31  
ARG CZ    NH1    sing N N 32  
ARG CZ    NH2    doub N N 33  
ARG NH1   HH11   sing N N 34  
ARG NH1   HH12   sing N N 35  
ARG NH2   HH21   sing N N 36  
ARG NH2   HH22   sing N N 37  
ARG OXT   HXT    sing N N 38  
ASN N     CA     sing N N 39  
ASN N     H      sing N N 40  
ASN N     H2     sing N N 41  
ASN CA    C      sing N N 42  
ASN CA    CB     sing N N 43  
ASN CA    HA     sing N N 44  
ASN C     O      doub N N 45  
ASN C     OXT    sing N N 46  
ASN CB    CG     sing N N 47  
ASN CB    HB2    sing N N 48  
ASN CB    HB3    sing N N 49  
ASN CG    OD1    doub N N 50  
ASN CG    ND2    sing N N 51  
ASN ND2   HD21   sing N N 52  
ASN ND2   HD22   sing N N 53  
ASN OXT   HXT    sing N N 54  
ASP N     CA     sing N N 55  
ASP N     H      sing N N 56  
ASP N     H2     sing N N 57  
ASP CA    C      sing N N 58  
ASP CA    CB     sing N N 59  
ASP CA    HA     sing N N 60  
ASP C     O      doub N N 61  
ASP C     OXT    sing N N 62  
ASP CB    CG     sing N N 63  
ASP CB    HB2    sing N N 64  
ASP CB    HB3    sing N N 65  
ASP CG    OD1    doub N N 66  
ASP CG    OD2    sing N N 67  
ASP OD2   HD2    sing N N 68  
ASP OXT   HXT    sing N N 69  
C   OP3   P      sing N N 70  
C   OP3   HOP3   sing N N 71  
C   P     OP1    doub N N 72  
C   P     OP2    sing N N 73  
C   P     "O5'"  sing N N 74  
C   OP2   HOP2   sing N N 75  
C   "O5'" "C5'"  sing N N 76  
C   "C5'" "C4'"  sing N N 77  
C   "C5'" "H5'"  sing N N 78  
C   "C5'" "H5''" sing N N 79  
C   "C4'" "O4'"  sing N N 80  
C   "C4'" "C3'"  sing N N 81  
C   "C4'" "H4'"  sing N N 82  
C   "O4'" "C1'"  sing N N 83  
C   "C3'" "O3'"  sing N N 84  
C   "C3'" "C2'"  sing N N 85  
C   "C3'" "H3'"  sing N N 86  
C   "O3'" "HO3'" sing N N 87  
C   "C2'" "O2'"  sing N N 88  
C   "C2'" "C1'"  sing N N 89  
C   "C2'" "H2'"  sing N N 90  
C   "O2'" "HO2'" sing N N 91  
C   "C1'" N1     sing N N 92  
C   "C1'" "H1'"  sing N N 93  
C   N1    C2     sing N N 94  
C   N1    C6     sing N N 95  
C   C2    O2     doub N N 96  
C   C2    N3     sing N N 97  
C   N3    C4     doub N N 98  
C   C4    N4     sing N N 99  
C   C4    C5     sing N N 100 
C   N4    H41    sing N N 101 
C   N4    H42    sing N N 102 
C   C5    C6     doub N N 103 
C   C5    H5     sing N N 104 
C   C6    H6     sing N N 105 
CYS N     CA     sing N N 106 
CYS N     H      sing N N 107 
CYS N     H2     sing N N 108 
CYS CA    C      sing N N 109 
CYS CA    CB     sing N N 110 
CYS CA    HA     sing N N 111 
CYS C     O      doub N N 112 
CYS C     OXT    sing N N 113 
CYS CB    SG     sing N N 114 
CYS CB    HB2    sing N N 115 
CYS CB    HB3    sing N N 116 
CYS SG    HG     sing N N 117 
CYS OXT   HXT    sing N N 118 
DA  OP3   P      sing N N 119 
DA  OP3   HOP3   sing N N 120 
DA  P     OP1    doub N N 121 
DA  P     OP2    sing N N 122 
DA  P     "O5'"  sing N N 123 
DA  OP2   HOP2   sing N N 124 
DA  "O5'" "C5'"  sing N N 125 
DA  "C5'" "C4'"  sing N N 126 
DA  "C5'" "H5'"  sing N N 127 
DA  "C5'" "H5''" sing N N 128 
DA  "C4'" "O4'"  sing N N 129 
DA  "C4'" "C3'"  sing N N 130 
DA  "C4'" "H4'"  sing N N 131 
DA  "O4'" "C1'"  sing N N 132 
DA  "C3'" "O3'"  sing N N 133 
DA  "C3'" "C2'"  sing N N 134 
DA  "C3'" "H3'"  sing N N 135 
DA  "O3'" "HO3'" sing N N 136 
DA  "C2'" "C1'"  sing N N 137 
DA  "C2'" "H2'"  sing N N 138 
DA  "C2'" "H2''" sing N N 139 
DA  "C1'" N9     sing N N 140 
DA  "C1'" "H1'"  sing N N 141 
DA  N9    C8     sing Y N 142 
DA  N9    C4     sing Y N 143 
DA  C8    N7     doub Y N 144 
DA  C8    H8     sing N N 145 
DA  N7    C5     sing Y N 146 
DA  C5    C6     sing Y N 147 
DA  C5    C4     doub Y N 148 
DA  C6    N6     sing N N 149 
DA  C6    N1     doub Y N 150 
DA  N6    H61    sing N N 151 
DA  N6    H62    sing N N 152 
DA  N1    C2     sing Y N 153 
DA  C2    N3     doub Y N 154 
DA  C2    H2     sing N N 155 
DA  N3    C4     sing Y N 156 
DC  OP3   P      sing N N 157 
DC  OP3   HOP3   sing N N 158 
DC  P     OP1    doub N N 159 
DC  P     OP2    sing N N 160 
DC  P     "O5'"  sing N N 161 
DC  OP2   HOP2   sing N N 162 
DC  "O5'" "C5'"  sing N N 163 
DC  "C5'" "C4'"  sing N N 164 
DC  "C5'" "H5'"  sing N N 165 
DC  "C5'" "H5''" sing N N 166 
DC  "C4'" "O4'"  sing N N 167 
DC  "C4'" "C3'"  sing N N 168 
DC  "C4'" "H4'"  sing N N 169 
DC  "O4'" "C1'"  sing N N 170 
DC  "C3'" "O3'"  sing N N 171 
DC  "C3'" "C2'"  sing N N 172 
DC  "C3'" "H3'"  sing N N 173 
DC  "O3'" "HO3'" sing N N 174 
DC  "C2'" "C1'"  sing N N 175 
DC  "C2'" "H2'"  sing N N 176 
DC  "C2'" "H2''" sing N N 177 
DC  "C1'" N1     sing N N 178 
DC  "C1'" "H1'"  sing N N 179 
DC  N1    C2     sing N N 180 
DC  N1    C6     sing N N 181 
DC  C2    O2     doub N N 182 
DC  C2    N3     sing N N 183 
DC  N3    C4     doub N N 184 
DC  C4    N4     sing N N 185 
DC  C4    C5     sing N N 186 
DC  N4    H41    sing N N 187 
DC  N4    H42    sing N N 188 
DC  C5    C6     doub N N 189 
DC  C5    H5     sing N N 190 
DC  C6    H6     sing N N 191 
DG  OP3   P      sing N N 192 
DG  OP3   HOP3   sing N N 193 
DG  P     OP1    doub N N 194 
DG  P     OP2    sing N N 195 
DG  P     "O5'"  sing N N 196 
DG  OP2   HOP2   sing N N 197 
DG  "O5'" "C5'"  sing N N 198 
DG  "C5'" "C4'"  sing N N 199 
DG  "C5'" "H5'"  sing N N 200 
DG  "C5'" "H5''" sing N N 201 
DG  "C4'" "O4'"  sing N N 202 
DG  "C4'" "C3'"  sing N N 203 
DG  "C4'" "H4'"  sing N N 204 
DG  "O4'" "C1'"  sing N N 205 
DG  "C3'" "O3'"  sing N N 206 
DG  "C3'" "C2'"  sing N N 207 
DG  "C3'" "H3'"  sing N N 208 
DG  "O3'" "HO3'" sing N N 209 
DG  "C2'" "C1'"  sing N N 210 
DG  "C2'" "H2'"  sing N N 211 
DG  "C2'" "H2''" sing N N 212 
DG  "C1'" N9     sing N N 213 
DG  "C1'" "H1'"  sing N N 214 
DG  N9    C8     sing Y N 215 
DG  N9    C4     sing Y N 216 
DG  C8    N7     doub Y N 217 
DG  C8    H8     sing N N 218 
DG  N7    C5     sing Y N 219 
DG  C5    C6     sing N N 220 
DG  C5    C4     doub Y N 221 
DG  C6    O6     doub N N 222 
DG  C6    N1     sing N N 223 
DG  N1    C2     sing N N 224 
DG  N1    H1     sing N N 225 
DG  C2    N2     sing N N 226 
DG  C2    N3     doub N N 227 
DG  N2    H21    sing N N 228 
DG  N2    H22    sing N N 229 
DG  N3    C4     sing N N 230 
G   OP3   P      sing N N 231 
G   OP3   HOP3   sing N N 232 
G   P     OP1    doub N N 233 
G   P     OP2    sing N N 234 
G   P     "O5'"  sing N N 235 
G   OP2   HOP2   sing N N 236 
G   "O5'" "C5'"  sing N N 237 
G   "C5'" "C4'"  sing N N 238 
G   "C5'" "H5'"  sing N N 239 
G   "C5'" "H5''" sing N N 240 
G   "C4'" "O4'"  sing N N 241 
G   "C4'" "C3'"  sing N N 242 
G   "C4'" "H4'"  sing N N 243 
G   "O4'" "C1'"  sing N N 244 
G   "C3'" "O3'"  sing N N 245 
G   "C3'" "C2'"  sing N N 246 
G   "C3'" "H3'"  sing N N 247 
G   "O3'" "HO3'" sing N N 248 
G   "C2'" "O2'"  sing N N 249 
G   "C2'" "C1'"  sing N N 250 
G   "C2'" "H2'"  sing N N 251 
G   "O2'" "HO2'" sing N N 252 
G   "C1'" N9     sing N N 253 
G   "C1'" "H1'"  sing N N 254 
G   N9    C8     sing Y N 255 
G   N9    C4     sing Y N 256 
G   C8    N7     doub Y N 257 
G   C8    H8     sing N N 258 
G   N7    C5     sing Y N 259 
G   C5    C6     sing N N 260 
G   C5    C4     doub Y N 261 
G   C6    O6     doub N N 262 
G   C6    N1     sing N N 263 
G   N1    C2     sing N N 264 
G   N1    H1     sing N N 265 
G   C2    N2     sing N N 266 
G   C2    N3     doub N N 267 
G   N2    H21    sing N N 268 
G   N2    H22    sing N N 269 
G   N3    C4     sing N N 270 
GLN N     CA     sing N N 271 
GLN N     H      sing N N 272 
GLN N     H2     sing N N 273 
GLN CA    C      sing N N 274 
GLN CA    CB     sing N N 275 
GLN CA    HA     sing N N 276 
GLN C     O      doub N N 277 
GLN C     OXT    sing N N 278 
GLN CB    CG     sing N N 279 
GLN CB    HB2    sing N N 280 
GLN CB    HB3    sing N N 281 
GLN CG    CD     sing N N 282 
GLN CG    HG2    sing N N 283 
GLN CG    HG3    sing N N 284 
GLN CD    OE1    doub N N 285 
GLN CD    NE2    sing N N 286 
GLN NE2   HE21   sing N N 287 
GLN NE2   HE22   sing N N 288 
GLN OXT   HXT    sing N N 289 
GLU N     CA     sing N N 290 
GLU N     H      sing N N 291 
GLU N     H2     sing N N 292 
GLU CA    C      sing N N 293 
GLU CA    CB     sing N N 294 
GLU CA    HA     sing N N 295 
GLU C     O      doub N N 296 
GLU C     OXT    sing N N 297 
GLU CB    CG     sing N N 298 
GLU CB    HB2    sing N N 299 
GLU CB    HB3    sing N N 300 
GLU CG    CD     sing N N 301 
GLU CG    HG2    sing N N 302 
GLU CG    HG3    sing N N 303 
GLU CD    OE1    doub N N 304 
GLU CD    OE2    sing N N 305 
GLU OE2   HE2    sing N N 306 
GLU OXT   HXT    sing N N 307 
GLY N     CA     sing N N 308 
GLY N     H      sing N N 309 
GLY N     H2     sing N N 310 
GLY CA    C      sing N N 311 
GLY CA    HA2    sing N N 312 
GLY CA    HA3    sing N N 313 
GLY C     O      doub N N 314 
GLY C     OXT    sing N N 315 
GLY OXT   HXT    sing N N 316 
HOH O     H1     sing N N 317 
HOH O     H2     sing N N 318 
ILE N     CA     sing N N 319 
ILE N     H      sing N N 320 
ILE N     H2     sing N N 321 
ILE CA    C      sing N N 322 
ILE CA    CB     sing N N 323 
ILE CA    HA     sing N N 324 
ILE C     O      doub N N 325 
ILE C     OXT    sing N N 326 
ILE CB    CG1    sing N N 327 
ILE CB    CG2    sing N N 328 
ILE CB    HB     sing N N 329 
ILE CG1   CD1    sing N N 330 
ILE CG1   HG12   sing N N 331 
ILE CG1   HG13   sing N N 332 
ILE CG2   HG21   sing N N 333 
ILE CG2   HG22   sing N N 334 
ILE CG2   HG23   sing N N 335 
ILE CD1   HD11   sing N N 336 
ILE CD1   HD12   sing N N 337 
ILE CD1   HD13   sing N N 338 
ILE OXT   HXT    sing N N 339 
LEU N     CA     sing N N 340 
LEU N     H      sing N N 341 
LEU N     H2     sing N N 342 
LEU CA    C      sing N N 343 
LEU CA    CB     sing N N 344 
LEU CA    HA     sing N N 345 
LEU C     O      doub N N 346 
LEU C     OXT    sing N N 347 
LEU CB    CG     sing N N 348 
LEU CB    HB2    sing N N 349 
LEU CB    HB3    sing N N 350 
LEU CG    CD1    sing N N 351 
LEU CG    CD2    sing N N 352 
LEU CG    HG     sing N N 353 
LEU CD1   HD11   sing N N 354 
LEU CD1   HD12   sing N N 355 
LEU CD1   HD13   sing N N 356 
LEU CD2   HD21   sing N N 357 
LEU CD2   HD22   sing N N 358 
LEU CD2   HD23   sing N N 359 
LEU OXT   HXT    sing N N 360 
LYS N     CA     sing N N 361 
LYS N     H      sing N N 362 
LYS N     H2     sing N N 363 
LYS CA    C      sing N N 364 
LYS CA    CB     sing N N 365 
LYS CA    HA     sing N N 366 
LYS C     O      doub N N 367 
LYS C     OXT    sing N N 368 
LYS CB    CG     sing N N 369 
LYS CB    HB2    sing N N 370 
LYS CB    HB3    sing N N 371 
LYS CG    CD     sing N N 372 
LYS CG    HG2    sing N N 373 
LYS CG    HG3    sing N N 374 
LYS CD    CE     sing N N 375 
LYS CD    HD2    sing N N 376 
LYS CD    HD3    sing N N 377 
LYS CE    NZ     sing N N 378 
LYS CE    HE2    sing N N 379 
LYS CE    HE3    sing N N 380 
LYS NZ    HZ1    sing N N 381 
LYS NZ    HZ2    sing N N 382 
LYS NZ    HZ3    sing N N 383 
LYS OXT   HXT    sing N N 384 
PRO N     CA     sing N N 385 
PRO N     CD     sing N N 386 
PRO N     H      sing N N 387 
PRO CA    C      sing N N 388 
PRO CA    CB     sing N N 389 
PRO CA    HA     sing N N 390 
PRO C     O      doub N N 391 
PRO C     OXT    sing N N 392 
PRO CB    CG     sing N N 393 
PRO CB    HB2    sing N N 394 
PRO CB    HB3    sing N N 395 
PRO CG    CD     sing N N 396 
PRO CG    HG2    sing N N 397 
PRO CG    HG3    sing N N 398 
PRO CD    HD2    sing N N 399 
PRO CD    HD3    sing N N 400 
PRO OXT   HXT    sing N N 401 
SER N     CA     sing N N 402 
SER N     H      sing N N 403 
SER N     H2     sing N N 404 
SER CA    C      sing N N 405 
SER CA    CB     sing N N 406 
SER CA    HA     sing N N 407 
SER C     O      doub N N 408 
SER C     OXT    sing N N 409 
SER CB    OG     sing N N 410 
SER CB    HB2    sing N N 411 
SER CB    HB3    sing N N 412 
SER OG    HG     sing N N 413 
SER OXT   HXT    sing N N 414 
THR N     CA     sing N N 415 
THR N     H      sing N N 416 
THR N     H2     sing N N 417 
THR CA    C      sing N N 418 
THR CA    CB     sing N N 419 
THR CA    HA     sing N N 420 
THR C     O      doub N N 421 
THR C     OXT    sing N N 422 
THR CB    OG1    sing N N 423 
THR CB    CG2    sing N N 424 
THR CB    HB     sing N N 425 
THR OG1   HG1    sing N N 426 
THR CG2   HG21   sing N N 427 
THR CG2   HG22   sing N N 428 
THR CG2   HG23   sing N N 429 
THR OXT   HXT    sing N N 430 
TRP N     CA     sing N N 431 
TRP N     H      sing N N 432 
TRP N     H2     sing N N 433 
TRP CA    C      sing N N 434 
TRP CA    CB     sing N N 435 
TRP CA    HA     sing N N 436 
TRP C     O      doub N N 437 
TRP C     OXT    sing N N 438 
TRP CB    CG     sing N N 439 
TRP CB    HB2    sing N N 440 
TRP CB    HB3    sing N N 441 
TRP CG    CD1    doub Y N 442 
TRP CG    CD2    sing Y N 443 
TRP CD1   NE1    sing Y N 444 
TRP CD1   HD1    sing N N 445 
TRP CD2   CE2    doub Y N 446 
TRP CD2   CE3    sing Y N 447 
TRP NE1   CE2    sing Y N 448 
TRP NE1   HE1    sing N N 449 
TRP CE2   CZ2    sing Y N 450 
TRP CE3   CZ3    doub Y N 451 
TRP CE3   HE3    sing N N 452 
TRP CZ2   CH2    doub Y N 453 
TRP CZ2   HZ2    sing N N 454 
TRP CZ3   CH2    sing Y N 455 
TRP CZ3   HZ3    sing N N 456 
TRP CH2   HH2    sing N N 457 
TRP OXT   HXT    sing N N 458 
TYR N     CA     sing N N 459 
TYR N     H      sing N N 460 
TYR N     H2     sing N N 461 
TYR CA    C      sing N N 462 
TYR CA    CB     sing N N 463 
TYR CA    HA     sing N N 464 
TYR C     O      doub N N 465 
TYR C     OXT    sing N N 466 
TYR CB    CG     sing N N 467 
TYR CB    HB2    sing N N 468 
TYR CB    HB3    sing N N 469 
TYR CG    CD1    doub Y N 470 
TYR CG    CD2    sing Y N 471 
TYR CD1   CE1    sing Y N 472 
TYR CD1   HD1    sing N N 473 
TYR CD2   CE2    doub Y N 474 
TYR CD2   HD2    sing N N 475 
TYR CE1   CZ     doub Y N 476 
TYR CE1   HE1    sing N N 477 
TYR CE2   CZ     sing Y N 478 
TYR CE2   HE2    sing N N 479 
TYR CZ    OH     sing N N 480 
TYR OH    HH     sing N N 481 
TYR OXT   HXT    sing N N 482 
U   OP3   P      sing N N 483 
U   OP3   HOP3   sing N N 484 
U   P     OP1    doub N N 485 
U   P     OP2    sing N N 486 
U   P     "O5'"  sing N N 487 
U   OP2   HOP2   sing N N 488 
U   "O5'" "C5'"  sing N N 489 
U   "C5'" "C4'"  sing N N 490 
U   "C5'" "H5'"  sing N N 491 
U   "C5'" "H5''" sing N N 492 
U   "C4'" "O4'"  sing N N 493 
U   "C4'" "C3'"  sing N N 494 
U   "C4'" "H4'"  sing N N 495 
U   "O4'" "C1'"  sing N N 496 
U   "C3'" "O3'"  sing N N 497 
U   "C3'" "C2'"  sing N N 498 
U   "C3'" "H3'"  sing N N 499 
U   "O3'" "HO3'" sing N N 500 
U   "C2'" "O2'"  sing N N 501 
U   "C2'" "C1'"  sing N N 502 
U   "C2'" "H2'"  sing N N 503 
U   "O2'" "HO2'" sing N N 504 
U   "C1'" N1     sing N N 505 
U   "C1'" "H1'"  sing N N 506 
U   N1    C2     sing N N 507 
U   N1    C6     sing N N 508 
U   C2    O2     doub N N 509 
U   C2    N3     sing N N 510 
U   N3    C4     sing N N 511 
U   N3    H3     sing N N 512 
U   C4    O4     doub N N 513 
U   C4    C5     sing N N 514 
U   C5    C6     doub N N 515 
U   C5    H5     sing N N 516 
U   C6    H6     sing N N 517 
VAL N     CA     sing N N 518 
VAL N     H      sing N N 519 
VAL N     H2     sing N N 520 
VAL CA    C      sing N N 521 
VAL CA    CB     sing N N 522 
VAL CA    HA     sing N N 523 
VAL C     O      doub N N 524 
VAL C     OXT    sing N N 525 
VAL CB    CG1    sing N N 526 
VAL CB    CG2    sing N N 527 
VAL CB    HB     sing N N 528 
VAL CG1   HG11   sing N N 529 
VAL CG1   HG12   sing N N 530 
VAL CG1   HG13   sing N N 531 
VAL CG2   HG21   sing N N 532 
VAL CG2   HG22   sing N N 533 
VAL CG2   HG23   sing N N 534 
VAL OXT   HXT    sing N N 535 
# 
_ndb_struct_conf_na.entry_id   9J8G 
_ndb_struct_conf_na.feature    'z-form double helix' 
# 
loop_
_ndb_struct_na_base_pair.model_number 
_ndb_struct_na_base_pair.i_label_asym_id 
_ndb_struct_na_base_pair.i_label_comp_id 
_ndb_struct_na_base_pair.i_label_seq_id 
_ndb_struct_na_base_pair.i_symmetry 
_ndb_struct_na_base_pair.j_label_asym_id 
_ndb_struct_na_base_pair.j_label_comp_id 
_ndb_struct_na_base_pair.j_label_seq_id 
_ndb_struct_na_base_pair.j_symmetry 
_ndb_struct_na_base_pair.shear 
_ndb_struct_na_base_pair.stretch 
_ndb_struct_na_base_pair.stagger 
_ndb_struct_na_base_pair.buckle 
_ndb_struct_na_base_pair.propeller 
_ndb_struct_na_base_pair.opening 
_ndb_struct_na_base_pair.pair_number 
_ndb_struct_na_base_pair.pair_name 
_ndb_struct_na_base_pair.i_auth_asym_id 
_ndb_struct_na_base_pair.i_auth_seq_id 
_ndb_struct_na_base_pair.i_PDB_ins_code 
_ndb_struct_na_base_pair.j_auth_asym_id 
_ndb_struct_na_base_pair.j_auth_seq_id 
_ndb_struct_na_base_pair.j_PDB_ins_code 
_ndb_struct_na_base_pair.hbond_type_28 
_ndb_struct_na_base_pair.hbond_type_12 
1 C U  1 1_555 C G  6 10_445 -0.286 -0.185 0.133  5.418   -7.073 -2.669 1  B_U1:G6_B       B 1   ? B 6   ? 28 1 
1 C G  2 1_555 C U  5 10_445 0.322  -0.528 0.598  0.800   -3.704 0.025  2  B_G2:U5_B       B 2   ? B 5   ? 28 1 
1 C C  3 1_555 C G  4 10_445 -0.456 -0.395 0.454  11.146  -3.209 0.522  3  B_C3:G4_B       B 3   ? B 4   ? 19 1 
1 C G  4 1_555 C C  3 10_445 0.456  -0.395 0.454  -11.146 -3.209 0.522  4  B_G4:C3_B       B 4   ? B 3   ? 19 1 
1 C U  5 1_555 C G  2 10_445 -0.322 -0.528 0.598  -0.800  -3.704 0.025  5  B_U5:G2_B       B 5   ? B 2   ? 28 1 
1 C G  6 1_555 C U  1 10_445 0.286  -0.185 0.133  -5.418  -7.073 -2.669 6  B_G6:U1_B       B 6   ? B 1   ? 28 1 
1 B DC 1 1_555 B DA 6 10_445 0.272  0.012  0.136  -2.786  -9.966 -6.228 7  C_DC201:DA206_C C 201 ? C 206 ? ?  1 
1 B DA 2 1_555 B DC 5 10_445 0.756  -0.266 -0.426 1.252   -7.239 -0.597 8  C_DA202:DC205_C C 202 ? C 205 ? ?  1 
1 B DC 3 1_555 B DG 4 10_445 -0.475 0.202  -0.735 11.711  -3.975 -5.766 9  C_DC203:DG204_C C 203 ? C 204 ? 19 1 
1 B DG 4 1_555 B DC 3 10_445 0.475  0.202  -0.735 -11.711 -3.975 -5.766 10 C_DG204:DC203_C C 204 ? C 203 ? 19 1 
1 B DC 5 1_555 B DA 2 10_445 -0.756 -0.266 -0.426 -1.252  -7.239 -0.597 11 C_DC205:DA202_C C 205 ? C 202 ? ?  1 
1 B DA 6 1_555 B DC 1 10_445 -0.272 0.012  0.136  2.786   -9.966 -6.228 12 C_DA206:DC201_C C 206 ? C 201 ? ?  1 
# 
loop_
_ndb_struct_na_base_pair_step.model_number 
_ndb_struct_na_base_pair_step.i_label_asym_id_1 
_ndb_struct_na_base_pair_step.i_label_comp_id_1 
_ndb_struct_na_base_pair_step.i_label_seq_id_1 
_ndb_struct_na_base_pair_step.i_symmetry_1 
_ndb_struct_na_base_pair_step.j_label_asym_id_1 
_ndb_struct_na_base_pair_step.j_label_comp_id_1 
_ndb_struct_na_base_pair_step.j_label_seq_id_1 
_ndb_struct_na_base_pair_step.j_symmetry_1 
_ndb_struct_na_base_pair_step.i_label_asym_id_2 
_ndb_struct_na_base_pair_step.i_label_comp_id_2 
_ndb_struct_na_base_pair_step.i_label_seq_id_2 
_ndb_struct_na_base_pair_step.i_symmetry_2 
_ndb_struct_na_base_pair_step.j_label_asym_id_2 
_ndb_struct_na_base_pair_step.j_label_comp_id_2 
_ndb_struct_na_base_pair_step.j_label_seq_id_2 
_ndb_struct_na_base_pair_step.j_symmetry_2 
_ndb_struct_na_base_pair_step.shift 
_ndb_struct_na_base_pair_step.slide 
_ndb_struct_na_base_pair_step.rise 
_ndb_struct_na_base_pair_step.tilt 
_ndb_struct_na_base_pair_step.roll 
_ndb_struct_na_base_pair_step.twist 
_ndb_struct_na_base_pair_step.x_displacement 
_ndb_struct_na_base_pair_step.y_displacement 
_ndb_struct_na_base_pair_step.helical_rise 
_ndb_struct_na_base_pair_step.inclination 
_ndb_struct_na_base_pair_step.tip 
_ndb_struct_na_base_pair_step.helical_twist 
_ndb_struct_na_base_pair_step.step_number 
_ndb_struct_na_base_pair_step.step_name 
_ndb_struct_na_base_pair_step.i_auth_asym_id_1 
_ndb_struct_na_base_pair_step.i_auth_seq_id_1 
_ndb_struct_na_base_pair_step.i_PDB_ins_code_1 
_ndb_struct_na_base_pair_step.j_auth_asym_id_1 
_ndb_struct_na_base_pair_step.j_auth_seq_id_1 
_ndb_struct_na_base_pair_step.j_PDB_ins_code_1 
_ndb_struct_na_base_pair_step.i_auth_asym_id_2 
_ndb_struct_na_base_pair_step.i_auth_seq_id_2 
_ndb_struct_na_base_pair_step.i_PDB_ins_code_2 
_ndb_struct_na_base_pair_step.j_auth_asym_id_2 
_ndb_struct_na_base_pair_step.j_auth_seq_id_2 
_ndb_struct_na_base_pair_step.j_PDB_ins_code_2 
1 C U  1 1_555 C G  6 10_445 C G  2 1_555 C U  5 10_445 0.084  4.714  3.620 -2.122 -5.061  -9.534  -13.126 -4.372 5.320 27.639 
-11.589 -10.998 1  BB_U1G2:U5G6_BB             B 1   ? B 6   ? B 2   ? B 5   ? 
1 C G  2 1_555 C U  5 10_445 C C  3 1_555 C G  4 10_445 -0.097 -1.401 3.098 1.459  -12.524 -50.055 2.380   -0.022 2.699 14.538 
1.693   -51.519 2  BB_G2C3:G4U5_BB             B 2   ? B 5   ? B 3   ? B 4   ? 
1 C C  3 1_555 C G  4 10_445 C G  4 1_555 C C  3 10_445 0.000  5.383  4.042 0.000  -8.711  -9.908  -6.034  0.000  6.588 41.413 
0.000   -13.185 3  BB_C3G4:C3G4_BB             B 3   ? B 4   ? B 4   ? B 3   ? 
1 C G  4 1_555 C C  3 10_445 C U  5 1_555 C G  2 10_445 0.097  -1.401 3.098 -1.459 -12.524 -50.055 2.380   0.022  2.699 14.538 
-1.693  -51.519 4  BB_G4U5:G2C3_BB             B 4   ? B 3   ? B 5   ? B 2   ? 
1 C U  5 1_555 C G  2 10_445 C G  6 1_555 C U  1 10_445 -0.084 4.714  3.620 2.122  -5.061  -9.534  -13.126 4.372  5.320 27.639 
11.589  -10.998 5  BB_U5G6:U1G2_BB             B 5   ? B 2   ? B 6   ? B 1   ? 
1 B DC 1 1_555 B DA 6 10_445 B DA 2 1_555 B DC 5 10_445 0.223  4.779  3.231 4.103  -11.127 -7.901  -1.704  7.379  5.459 52.955 
19.528  -14.242 6  CC_DC201DA202:DC205DA206_CC C 201 ? C 206 ? C 202 ? C 205 ? 
1 B DA 2 1_555 B DC 5 10_445 B DC 3 1_555 B DG 4 10_445 -0.123 -1.329 3.159 0.874  -11.912 -49.225 2.334   -0.087 2.789 14.061 
1.032   -50.565 7  CC_DA202DC203:DG204DC205_CC C 202 ? C 205 ? C 203 ? C 204 ? 
1 B DC 3 1_555 B DG 4 10_445 B DG 4 1_555 B DC 3 10_445 0.000  5.657  3.815 0.000  -8.959  -9.204  -6.273  0.000  6.677 44.318 
0.000   -12.838 8  CC_DC203DG204:DC203DG204_CC C 203 ? C 204 ? C 204 ? C 203 ? 
1 B DG 4 1_555 B DC 3 10_445 B DC 5 1_555 B DA 2 10_445 0.123  -1.329 3.159 -0.874 -11.912 -49.225 2.334   0.087  2.789 14.061 
-1.032  -50.565 9  CC_DG204DC205:DA202DC203_CC C 204 ? C 203 ? C 205 ? C 202 ? 
1 B DC 5 1_555 B DA 2 10_445 B DA 6 1_555 B DC 1 10_445 -0.223 4.779  3.231 -4.103 -11.127 -7.901  -1.704  -7.379 5.459 52.955 
-19.528 -14.242 10 CC_DC205DA206:DC201DA202_CC C 205 ? C 202 ? C 206 ? C 201 ? 
# 
_pdbx_audit_support.funding_organization   'National Science Foundation (NSF, China)' 
_pdbx_audit_support.country                China 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   1j75 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9J8G 
_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]   0.015778 
_atom_sites.fract_transf_matrix[1][2]   0.009109 
_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]   0.018218 
_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]   0.014055 
_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 
N 
O 
P 
S 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1   N N     . ASP A 1 1  ? -2.840 -17.216 -6.416  1.00 58.62 ? 12  ASP A N     1 
ATOM   2   C CA    . ASP A 1 1  ? -2.690 -15.991 -7.249  1.00 66.49 ? 12  ASP A CA    1 
ATOM   3   C C     . ASP A 1 1  ? -2.435 -14.808 -6.314  1.00 59.71 ? 12  ASP A C     1 
ATOM   4   O O     . ASP A 1 1  ? -1.262 -14.462 -6.123  1.00 45.86 ? 12  ASP A O     1 
ATOM   5   C CB    . ASP A 1 1  ? -3.907 -15.780 -8.151  1.00 65.80 ? 12  ASP A CB    1 
ATOM   6   N N     . ASN A 1 2  ? -3.492 -14.210 -5.761  1.00 55.03 ? 13  ASN A N     1 
ATOM   7   C CA    . ASN A 1 2  ? -3.289 -13.142 -4.749  1.00 54.05 ? 13  ASN A CA    1 
ATOM   8   C C     . ASN A 1 2  ? -2.592 -13.779 -3.544  1.00 43.31 ? 13  ASN A C     1 
ATOM   9   O O     . ASN A 1 2  ? -1.656 -13.167 -3.022  1.00 46.46 ? 13  ASN A O     1 
ATOM   10  C CB    . ASN A 1 2  ? -4.609 -12.475 -4.355  1.00 62.45 ? 13  ASN A CB    1 
ATOM   11  C CG    . ASN A 1 2  ? -4.558 -11.800 -3.000  1.00 79.77 ? 13  ASN A CG    1 
ATOM   12  O OD1   . ASN A 1 2  ? -3.852 -10.811 -2.818  1.00 78.50 ? 13  ASN A OD1   1 
ATOM   13  N ND2   . ASN A 1 2  ? -5.306 -12.325 -2.044  1.00 79.44 ? 13  ASN A ND2   1 
ATOM   14  N N     . LEU A 1 3  ? -3.015 -14.986 -3.157  1.00 39.79 ? 14  LEU A N     1 
ATOM   15  C CA    . LEU A 1 3  ? -2.362 -15.706 -2.033  1.00 37.20 ? 14  LEU A CA    1 
ATOM   16  C C     . LEU A 1 3  ? -0.907 -16.003 -2.401  1.00 38.46 ? 14  LEU A C     1 
ATOM   17  O O     . LEU A 1 3  ? -0.062 -15.887 -1.528  1.00 33.59 ? 14  LEU A O     1 
ATOM   18  C CB    . LEU A 1 3  ? -3.118 -17.001 -1.723  1.00 40.69 ? 14  LEU A CB    1 
ATOM   19  C CG    . LEU A 1 3  ? -2.553 -17.824 -0.567  1.00 40.57 ? 14  LEU A CG    1 
ATOM   20  C CD1   . LEU A 1 3  ? -2.475 -16.994 0.705   1.00 30.94 ? 14  LEU A CD1   1 
ATOM   21  C CD2   . LEU A 1 3  ? -3.378 -19.079 -0.336  1.00 37.16 ? 14  LEU A CD2   1 
ATOM   22  N N     . GLU A 1 4  ? -0.650 -16.409 -3.646  1.00 36.41 ? 15  GLU A N     1 
ATOM   23  C CA    . GLU A 1 4  ? 0.737  -16.689 -4.102  1.00 35.86 ? 15  GLU A CA    1 
ATOM   24  C C     . GLU A 1 4  ? 1.573  -15.420 -3.922  1.00 37.45 ? 15  GLU A C     1 
ATOM   25  O O     . GLU A 1 4  ? 2.681  -15.515 -3.378  1.00 33.34 ? 15  GLU A O     1 
ATOM   26  C CB    . GLU A 1 4  ? 0.731  -17.142 -5.562  1.00 43.73 ? 15  GLU A CB    1 
ATOM   27  C CG    . GLU A 1 4  ? 2.093  -17.113 -6.225  1.00 50.64 ? 15  GLU A CG    1 
ATOM   28  C CD    . GLU A 1 4  ? 2.059  -17.448 -7.705  1.00 62.54 ? 15  GLU A CD    1 
ATOM   29  O OE1   . GLU A 1 4  ? 2.475  -16.594 -8.511  1.00 70.18 ? 15  GLU A OE1   1 
ATOM   30  O OE2   . GLU A 1 4  ? 1.610  -18.559 -8.047  1.00 67.94 ? 15  GLU A OE2   1 
ATOM   31  N N     . GLN A 1 5  ? 1.030  -14.276 -4.334  1.00 36.78 ? 16  GLN A N     1 
ATOM   32  C CA    . GLN A 1 5  ? 1.770  -12.996 -4.226  1.00 36.63 ? 16  GLN A CA    1 
ATOM   33  C C     . GLN A 1 5  ? 2.016  -12.689 -2.749  1.00 41.05 ? 16  GLN A C     1 
ATOM   34  O O     . GLN A 1 5  ? 3.123  -12.266 -2.428  1.00 39.10 ? 16  GLN A O     1 
ATOM   35  C CB    . GLN A 1 5  ? 1.007  -11.867 -4.918  1.00 48.12 ? 16  GLN A CB    1 
ATOM   36  C CG    . GLN A 1 5  ? 1.079  -11.919 -6.438  1.00 75.13 ? 16  GLN A CG    1 
ATOM   37  C CD    . GLN A 1 5  ? 2.436  -12.324 -6.961  1.00 79.48 ? 16  GLN A CD    1 
ATOM   38  O OE1   . GLN A 1 5  ? 2.589  -13.356 -7.611  1.00 73.90 ? 16  GLN A OE1   1 
ATOM   39  N NE2   . GLN A 1 5  ? 3.438  -11.502 -6.691  1.00 66.36 ? 16  GLN A NE2   1 
ATOM   40  N N     . LYS A 1 6  ? 1.017  -12.916 -1.894  1.00 35.19 ? 17  LYS A N     1 
ATOM   41  C CA    . LYS A 1 6  ? 1.156  -12.604 -0.450  1.00 36.35 ? 17  LYS A CA    1 
ATOM   42  C C     . LYS A 1 6  ? 2.257  -13.482 0.144   1.00 35.58 ? 17  LYS A C     1 
ATOM   43  O O     . LYS A 1 6  ? 3.100  -12.951 0.874   1.00 32.27 ? 17  LYS A O     1 
ATOM   44  C CB    . LYS A 1 6  ? -0.176 -12.819 0.272   1.00 43.65 ? 17  LYS A CB    1 
ATOM   45  C CG    . LYS A 1 6  ? -0.200 -12.407 1.737   1.00 44.00 ? 17  LYS A CG    1 
ATOM   46  C CD    . LYS A 1 6  ? 0.173  -10.958 1.958   1.00 51.01 ? 17  LYS A CD    1 
ATOM   47  C CE    . LYS A 1 6  ? -0.140 -10.474 3.358   1.00 56.43 ? 17  LYS A CE    1 
ATOM   48  N NZ    . LYS A 1 6  ? 0.975  -9.684  3.930   1.00 51.36 ? 17  LYS A NZ    1 
ATOM   49  N N     . ILE A 1 7  ? 2.272  -14.765 -0.218  1.00 30.68 ? 18  ILE A N     1 
ATOM   50  C CA    . ILE A 1 7  ? 3.285  -15.703 0.337   1.00 30.71 ? 18  ILE A CA    1 
ATOM   51  C C     . ILE A 1 7  ? 4.647  -15.193 -0.119  1.00 31.97 ? 18  ILE A C     1 
ATOM   52  O O     . ILE A 1 7  ? 5.552  -15.086 0.720   1.00 30.43 ? 18  ILE A O     1 
ATOM   53  C CB    . ILE A 1 7  ? 3.030  -17.132 -0.179  1.00 29.95 ? 18  ILE A CB    1 
ATOM   54  C CG1   . ILE A 1 7  ? 1.812  -17.773 0.489   1.00 27.45 ? 18  ILE A CG1   1 
ATOM   55  C CG2   . ILE A 1 7  ? 4.270  -17.998 -0.035  1.00 31.33 ? 18  ILE A CG2   1 
ATOM   56  C CD1   . ILE A 1 7  ? 1.399  -19.081 -0.135  1.00 30.59 ? 18  ILE A CD1   1 
ATOM   57  N N     . LEU A 1 8  ? 4.741  -14.812 -1.392  1.00 27.15 ? 19  LEU A N     1 
ATOM   58  C CA    . LEU A 1 8  ? 6.056  -14.390 -1.923  1.00 32.16 ? 19  LEU A CA    1 
ATOM   59  C C     . LEU A 1 8  ? 6.506  -13.146 -1.157  1.00 34.24 ? 19  LEU A C     1 
ATOM   60  O O     . LEU A 1 8  ? 7.623  -13.161 -0.679  1.00 37.26 ? 19  LEU A O     1 
ATOM   61  C CB    . LEU A 1 8  ? 5.938  -14.146 -3.429  1.00 33.24 ? 19  LEU A CB    1 
ATOM   62  C CG    . LEU A 1 8  ? 5.778  -15.407 -4.277  1.00 34.75 ? 19  LEU A CG    1 
ATOM   63  C CD1   . LEU A 1 8  ? 5.523  -15.057 -5.734  1.00 43.57 ? 19  LEU A CD1   1 
ATOM   64  C CD2   . LEU A 1 8  ? 6.994  -16.311 -4.148  1.00 30.79 ? 19  LEU A CD2   1 
ATOM   65  N N     . GLN A 1 9  ? 5.610  -12.187 -0.932  1.00 34.33 ? 20  GLN A N     1 
ATOM   66  C CA    . GLN A 1 9  ? 5.984  -10.928 -0.241  1.00 41.05 ? 20  GLN A CA    1 
ATOM   67  C C     . GLN A 1 9  ? 6.448  -11.261 1.179   1.00 35.21 ? 20  GLN A C     1 
ATOM   68  O O     . GLN A 1 9  ? 7.512  -10.778 1.577   1.00 34.44 ? 20  GLN A O     1 
ATOM   69  C CB    . GLN A 1 9  ? 4.788  -9.977  -0.212  1.00 42.79 ? 20  GLN A CB    1 
ATOM   70  C CG    . GLN A 1 9  ? 4.965  -8.781  0.711   1.00 53.96 ? 20  GLN A CG    1 
ATOM   71  C CD    . GLN A 1 9  ? 4.065  -8.848  1.921   1.00 65.40 ? 20  GLN A CD    1 
ATOM   72  O OE1   . GLN A 1 9  ? 2.843  -8.817  1.810   1.00 60.38 ? 20  GLN A OE1   1 
ATOM   73  N NE2   . GLN A 1 9  ? 4.668  -8.940  3.094   1.00 52.81 ? 20  GLN A NE2   1 
ATOM   74  N N     . VAL A 1 10 ? 5.711  -12.125 1.878   1.00 32.68 ? 21  VAL A N     1 
ATOM   75  C CA    . VAL A 1 10 ? 6.067  -12.433 3.293   1.00 30.54 ? 21  VAL A CA    1 
ATOM   76  C C     . VAL A 1 10 ? 7.446  -13.096 3.317   1.00 30.26 ? 21  VAL A C     1 
ATOM   77  O O     . VAL A 1 10 ? 8.269  -12.707 4.153   1.00 31.04 ? 21  VAL A O     1 
ATOM   78  C CB    . VAL A 1 10 ? 4.988  -13.296 3.975   1.00 31.62 ? 21  VAL A CB    1 
ATOM   79  C CG1   . VAL A 1 10 ? 5.415  -13.748 5.362   1.00 31.78 ? 21  VAL A CG1   1 
ATOM   80  C CG2   . VAL A 1 10 ? 3.653  -12.573 4.041   1.00 32.21 ? 21  VAL A CG2   1 
ATOM   81  N N     . LEU A 1 11 ? 7.693  -14.039 2.407   1.00 28.61 ? 22  LEU A N     1 
ATOM   82  C CA    . LEU A 1 11 ? 8.989  -14.764 2.412   1.00 30.66 ? 22  LEU A CA    1 
ATOM   83  C C     . LEU A 1 11 ? 10.118 -13.792 2.056   1.00 29.50 ? 22  LEU A C     1 
ATOM   84  O O     . LEU A 1 11 ? 11.194 -13.891 2.659   1.00 34.59 ? 22  LEU A O     1 
ATOM   85  C CB    . LEU A 1 11 ? 8.918  -15.926 1.419   1.00 33.62 ? 22  LEU A CB    1 
ATOM   86  C CG    . LEU A 1 11 ? 7.988  -17.071 1.814   1.00 28.28 ? 22  LEU A CG    1 
ATOM   87  C CD1   . LEU A 1 11 ? 8.115  -18.228 0.840   1.00 26.24 ? 22  LEU A CD1   1 
ATOM   88  C CD2   . LEU A 1 11 ? 8.277  -17.540 3.228   1.00 30.16 ? 22  LEU A CD2   1 
ATOM   89  N N     . SER A 1 12 ? 9.866  -12.886 1.116   1.00 29.95 ? 23  SER A N     1 
ATOM   90  C CA    . SER A 1 12 ? 10.917 -11.962 0.624   1.00 32.91 ? 23  SER A CA    1 
ATOM   91  C C     . SER A 1 12 ? 11.172 -10.880 1.672   1.00 34.16 ? 23  SER A C     1 
ATOM   92  O O     . SER A 1 12 ? 12.361 -10.575 1.933   1.00 37.72 ? 23  SER A O     1 
ATOM   93  C CB    . SER A 1 12 ? 10.509 -11.360 -0.696  1.00 38.67 ? 23  SER A CB    1 
ATOM   94  O OG    . SER A 1 12 ? 10.109 -12.357 -1.621  1.00 35.95 ? 23  SER A OG    1 
ATOM   95  N N     . ASP A 1 13 ? 10.104 -10.338 2.264   1.00 34.94 ? 24  ASP A N     1 
ATOM   96  C CA    . ASP A 1 13 ? 10.370 -9.347  3.304   1.00 35.85 ? 24  ASP A CA    1 
ATOM   97  C C     . ASP A 1 13 ? 11.120 -9.955  4.469   1.00 35.56 ? 24  ASP A C     1 
ATOM   98  O O     . ASP A 1 13 ? 11.990 -9.300  5.056   1.00 41.01 ? 24  ASP A O     1 
ATOM   99  C CB    . ASP A 1 13 ? 9.078  -8.685  3.799   1.00 40.52 ? 24  ASP A CB    1 
ATOM   100 C CG    . ASP A 1 13 ? 8.411  -7.820  2.743   1.00 51.73 ? 24  ASP A CG    1 
ATOM   101 O OD1   . ASP A 1 13 ? 9.110  -7.348  1.813   1.00 51.97 ? 24  ASP A OD1   1 
ATOM   102 O OD2   . ASP A 1 13 ? 7.194  -7.568  2.879   1.00 48.34 ? 24  ASP A OD2   1 
ATOM   103 N N     . ASP A 1 14 ? 10.792 -11.196 4.824   1.00 38.58 ? 25  ASP A N     1 
ATOM   104 C CA    . ASP A 1 14 ? 11.508 -11.882 5.890   1.00 41.50 ? 25  ASP A CA    1 
ATOM   105 C C     . ASP A 1 14 ? 12.951 -12.163 5.498   1.00 42.44 ? 25  ASP A C     1 
ATOM   106 O O     . ASP A 1 14 ? 13.877 -11.889 6.270   1.00 45.24 ? 25  ASP A O     1 
ATOM   107 C CB    . ASP A 1 14 ? 10.788 -13.176 6.254   1.00 33.40 ? 25  ASP A CB    1 
ATOM   108 C CG    . ASP A 1 14 ? 11.349 -13.800 7.511   1.00 42.54 ? 25  ASP A CG    1 
ATOM   109 O OD1   . ASP A 1 14 ? 12.500 -14.295 7.453   1.00 35.02 ? 25  ASP A OD1   1 
ATOM   110 O OD2   . ASP A 1 14 ? 10.663 -13.759 8.559   1.00 41.13 ? 25  ASP A OD2   1 
ATOM   111 N N     . GLY A 1 15 ? 13.162 -12.735 4.316   1.00 37.51 ? 26  GLY A N     1 
ATOM   112 C CA    . GLY A 1 15 ? 14.497 -13.015 3.845   1.00 33.76 ? 26  GLY A CA    1 
ATOM   113 C C     . GLY A 1 15 ? 15.142 -14.248 4.434   1.00 41.41 ? 26  GLY A C     1 
ATOM   114 O O     . GLY A 1 15 ? 16.244 -14.606 4.016   1.00 40.86 ? 26  GLY A O     1 
ATOM   115 N N     . GLY A 1 16 ? 14.490 -14.924 5.370   1.00 34.06 ? 27  GLY A N     1 
ATOM   116 C CA    . GLY A 1 16 ? 15.071 -16.079 6.008   1.00 30.60 ? 27  GLY A CA    1 
ATOM   117 C C     . GLY A 1 16 ? 14.060 -17.205 6.022   1.00 28.85 ? 27  GLY A C     1 
ATOM   118 O O     . GLY A 1 16 ? 13.001 -17.123 5.383   1.00 33.62 ? 27  GLY A O     1 
ATOM   119 N N     . PRO A 1 17 ? 14.376 -18.287 6.731   1.00 38.19 ? 28  PRO A N     1 
ATOM   120 C CA    . PRO A 1 17 ? 13.419 -19.395 6.863   1.00 31.01 ? 28  PRO A CA    1 
ATOM   121 C C     . PRO A 1 17 ? 12.193 -18.925 7.631   1.00 37.53 ? 28  PRO A C     1 
ATOM   122 O O     . PRO A 1 17 ? 12.326 -18.280 8.675   1.00 28.62 ? 28  PRO A O     1 
ATOM   123 C CB    . PRO A 1 17 ? 14.200 -20.454 7.662   1.00 34.60 ? 28  PRO A CB    1 
ATOM   124 C CG    . PRO A 1 17 ? 15.609 -19.997 7.662   1.00 39.00 ? 28  PRO A CG    1 
ATOM   125 C CD    . PRO A 1 17 ? 15.590 -18.511 7.529   1.00 36.05 ? 28  PRO A CD    1 
ATOM   126 N N     . VAL A 1 18 ? 11.004 -19.251 7.116   1.00 26.22 ? 29  VAL A N     1 
ATOM   127 C CA    . VAL A 1 18 ? 9.739  -18.857 7.741   1.00 25.37 ? 29  VAL A CA    1 
ATOM   128 C C     . VAL A 1 18 ? 8.922  -20.104 8.023   1.00 27.68 ? 29  VAL A C     1 
ATOM   129 O O     . VAL A 1 18 ? 8.735  -20.939 7.129   1.00 24.98 ? 29  VAL A O     1 
ATOM   130 C CB    . VAL A 1 18 ? 8.928  -17.888 6.859   1.00 24.98 ? 29  VAL A CB    1 
ATOM   131 C CG1   . VAL A 1 18 ? 7.606  -17.492 7.573   1.00 24.99 ? 29  VAL A CG1   1 
ATOM   132 C CG2   . VAL A 1 18 ? 9.766  -16.647 6.502   1.00 30.59 ? 29  VAL A CG2   1 
ATOM   133 N N     . LYS A 1 19 ? 8.428  -20.233 9.255   1.00 25.37 ? 30  LYS A N     1 
ATOM   134 C CA    . LYS A 1 19 ? 7.615  -21.395 9.593   1.00 25.60 ? 30  LYS A CA    1 
ATOM   135 C C     . LYS A 1 19 ? 6.211  -21.265 9.026   1.00 25.03 ? 30  LYS A C     1 
ATOM   136 O O     . LYS A 1 19 ? 5.663  -20.165 8.891   1.00 28.31 ? 30  LYS A O     1 
ATOM   137 C CB    . LYS A 1 19 ? 7.490  -21.601 11.104  1.00 29.40 ? 30  LYS A CB    1 
ATOM   138 C CG    . LYS A 1 19 ? 8.776  -21.790 11.865  1.00 34.42 ? 30  LYS A CG    1 
ATOM   139 C CD    . LYS A 1 19 ? 9.376  -23.171 11.630  1.00 38.72 ? 30  LYS A CD    1 
ATOM   140 C CE    . LYS A 1 19 ? 10.891 -23.105 11.861  1.00 51.15 ? 30  LYS A CE    1 
ATOM   141 N NZ    . LYS A 1 19 ? 11.577 -24.394 11.585  1.00 47.62 ? 30  LYS A NZ    1 
ATOM   142 N N     . ILE A 1 20 ? 5.606  -22.416 8.727   1.00 27.28 ? 31  ILE A N     1 
ATOM   143 C CA    . ILE A 1 20 ? 4.263  -22.396 8.159   1.00 25.58 ? 31  ILE A CA    1 
ATOM   144 C C     . ILE A 1 20 ? 3.306  -21.636 9.079   1.00 26.96 ? 31  ILE A C     1 
ATOM   145 O O     . ILE A 1 20 ? 2.467  -20.855 8.614   1.00 33.66 ? 31  ILE A O     1 
ATOM   146 C CB    . ILE A 1 20 ? 3.795  -23.839 7.868   1.00 26.44 ? 31  ILE A CB    1 
ATOM   147 C CG1   . ILE A 1 20 ? 2.441  -23.859 7.147   1.00 37.50 ? 31  ILE A CG1   1 
ATOM   148 C CG2   . ILE A 1 20 ? 3.760  -24.670 9.147   1.00 28.30 ? 31  ILE A CG2   1 
ATOM   149 C CD1   . ILE A 1 20 ? 2.506  -23.260 5.773   1.00 39.12 ? 31  ILE A CD1   1 
ATOM   150 N N     . GLY A 1 21 ? 3.457  -21.795 10.405  1.00 26.06 ? 32  GLY A N     1 
ATOM   151 C CA    . GLY A 1 21 ? 2.575  -21.082 11.316  1.00 27.50 ? 32  GLY A CA    1 
ATOM   152 C C     . GLY A 1 21 ? 2.710  -19.574 11.204  1.00 33.54 ? 32  GLY A C     1 
ATOM   153 O O     . GLY A 1 21 ? 1.734  -18.832 11.392  1.00 30.71 ? 32  GLY A O     1 
ATOM   154 N N     . GLN A 1 22 ? 3.915  -19.099 10.893  1.00 25.92 ? 33  GLN A N     1 
ATOM   155 C CA    . GLN A 1 22 ? 4.116  -17.659 10.750  1.00 29.46 ? 33  GLN A CA    1 
ATOM   156 C C     . GLN A 1 22 ? 3.462  -17.153 9.474   1.00 33.42 ? 33  GLN A C     1 
ATOM   157 O O     . GLN A 1 22 ? 2.929  -16.033 9.438   1.00 29.42 ? 33  GLN A O     1 
ATOM   158 C CB    . GLN A 1 22 ? 5.608  -17.341 10.757  1.00 27.50 ? 33  GLN A CB    1 
ATOM   159 C CG    . GLN A 1 22 ? 6.345  -17.884 11.997  1.00 29.02 ? 33  GLN A CG    1 
ATOM   160 C CD    . GLN A 1 22 ? 7.812  -17.513 11.974  1.00 30.03 ? 33  GLN A CD    1 
ATOM   161 O OE1   . GLN A 1 22 ? 8.523  -17.884 11.034  1.00 32.57 ? 33  GLN A OE1   1 
ATOM   162 N NE2   . GLN A 1 22 ? 8.308  -16.872 13.051  1.00 33.23 ? 33  GLN A NE2   1 
ATOM   163 N N     . LEU A 1 23 ? 3.481  -17.972 8.421   1.00 26.43 ? 34  LEU A N     1 
ATOM   164 C CA    . LEU A 1 23 ? 2.744  -17.626 7.205   1.00 25.26 ? 34  LEU A CA    1 
ATOM   165 C C     . LEU A 1 23 ? 1.238  -17.595 7.432   1.00 32.12 ? 34  LEU A C     1 
ATOM   166 O O     . LEU A 1 23 ? 0.546  -16.752 6.852   1.00 34.23 ? 34  LEU A O     1 
ATOM   167 C CB    . LEU A 1 23 ? 3.089  -18.590 6.075   1.00 28.66 ? 34  LEU A CB    1 
ATOM   168 C CG    . LEU A 1 23 ? 4.467  -18.386 5.471   1.00 31.81 ? 34  LEU A CG    1 
ATOM   169 C CD1   . LEU A 1 23 ? 4.854  -19.642 4.717   1.00 33.28 ? 34  LEU A CD1   1 
ATOM   170 C CD2   . LEU A 1 23 ? 4.397  -17.202 4.519   1.00 31.53 ? 34  LEU A CD2   1 
ATOM   171 N N     . VAL A 1 24 ? 0.702  -18.522 8.234   1.00 28.95 ? 35  VAL A N     1 
ATOM   172 C CA    . VAL A 1 24 ? -0.725 -18.481 8.549   1.00 27.93 ? 35  VAL A CA    1 
ATOM   173 C C     . VAL A 1 24 ? -1.101 -17.119 9.123   1.00 32.78 ? 35  VAL A C     1 
ATOM   174 O O     . VAL A 1 24 ? -2.109 -16.517 8.732   1.00 29.50 ? 35  VAL A O     1 
ATOM   175 C CB    . VAL A 1 24 ? -1.092 -19.619 9.523   1.00 29.33 ? 35  VAL A CB    1 
ATOM   176 C CG1   . VAL A 1 24 ? -2.471 -19.373 10.117  1.00 33.18 ? 35  VAL A CG1   1 
ATOM   177 C CG2   . VAL A 1 24 ? -1.051 -20.948 8.806   1.00 34.12 ? 35  VAL A CG2   1 
ATOM   178 N N     . LYS A 1 25 ? -0.297 -16.610 10.069  1.00 32.11 ? 36  LYS A N     1 
ATOM   179 C CA    . LYS A 1 25 ? -0.638 -15.342 10.713  1.00 34.54 ? 36  LYS A CA    1 
ATOM   180 C C     . LYS A 1 25 ? -0.636 -14.205 9.706   1.00 37.17 ? 36  LYS A C     1 
ATOM   181 O O     . LYS A 1 25 ? -1.519 -13.339 9.732   1.00 37.46 ? 36  LYS A O     1 
ATOM   182 C CB    . LYS A 1 25 ? 0.342  -15.034 11.839  1.00 33.94 ? 36  LYS A CB    1 
ATOM   183 C CG    . LYS A 1 25 ? -0.014 -15.657 13.128  1.00 40.26 ? 36  LYS A CG    1 
ATOM   184 C CD    . LYS A 1 25 ? 0.716  -14.975 14.272  1.00 39.05 ? 36  LYS A CD    1 
ATOM   185 C CE    . LYS A 1 25 ? 1.292  -16.038 15.172  1.00 44.48 ? 36  LYS A CE    1 
ATOM   186 N NZ    . LYS A 1 25 ? 0.514  -16.107 16.425  1.00 61.22 ? 36  LYS A NZ    1 
ATOM   187 N N     . LYS A 1 26 ? 0.351  -14.194 8.809   1.00 30.72 ? 37  LYS A N     1 
ATOM   188 C CA    . LYS A 1 26 ? 0.488  -13.095 7.866   1.00 35.80 ? 37  LYS A CA    1 
ATOM   189 C C     . LYS A 1 26 ? -0.512 -13.217 6.721   1.00 40.41 ? 37  LYS A C     1 
ATOM   190 O O     . LYS A 1 26 ? -1.036 -12.207 6.245   1.00 44.41 ? 37  LYS A O     1 
ATOM   191 C CB    . LYS A 1 26 ? 1.925  -13.059 7.334   1.00 34.14 ? 37  LYS A CB    1 
ATOM   192 C CG    . LYS A 1 26 ? 3.008  -12.749 8.375   1.00 42.11 ? 37  LYS A CG    1 
ATOM   193 C CD    . LYS A 1 26 ? 2.778  -11.406 9.071   1.00 49.91 ? 37  LYS A CD    1 
ATOM   194 C CE    . LYS A 1 26 ? 4.102  -10.795 9.540   1.00 54.79 ? 37  LYS A CE    1 
ATOM   195 N NZ    . LYS A 1 26 ? 4.707  -9.860  8.537   1.00 69.24 ? 37  LYS A NZ    1 
ATOM   196 N N     . CYS A 1 27 ? -0.794 -14.442 6.265   1.00 34.36 ? 38  CYS A N     1 
ATOM   197 C CA    . CYS A 1 27 ? -1.643 -14.645 5.097   1.00 33.08 ? 38  CYS A CA    1 
ATOM   198 C C     . CYS A 1 27 ? -3.087 -14.929 5.425   1.00 37.61 ? 38  CYS A C     1 
ATOM   199 O O     . CYS A 1 27 ? -3.909 -14.932 4.509   1.00 36.16 ? 38  CYS A O     1 
ATOM   200 C CB    . CYS A 1 27 ? -1.120 -15.782 4.220   1.00 34.03 ? 38  CYS A CB    1 
ATOM   201 S SG    . CYS A 1 27 ? 0.579  -15.580 3.734   1.00 34.55 ? 38  CYS A SG    1 
ATOM   202 N N     . GLN A 1 28 ? -3.416 -15.199 6.681   1.00 35.08 ? 39  GLN A N     1 
ATOM   203 C CA    . GLN A 1 28 ? -4.811 -15.311 7.107   1.00 31.16 ? 39  GLN A CA    1 
ATOM   204 C C     . GLN A 1 28 ? -5.582 -16.404 6.350   1.00 39.66 ? 39  GLN A C     1 
ATOM   205 O O     . GLN A 1 28 ? -6.797 -16.289 6.126   1.00 38.85 ? 39  GLN A O     1 
ATOM   206 C CB    . GLN A 1 28 ? -5.508 -13.947 7.007   1.00 38.84 ? 39  GLN A CB    1 
ATOM   207 C CG    . GLN A 1 28 ? -4.604 -12.825 7.550   1.00 40.15 ? 39  GLN A CG    1 
ATOM   208 C CD    . GLN A 1 28 ? -5.283 -11.467 7.678   1.00 54.61 ? 39  GLN A CD    1 
ATOM   209 O OE1   . GLN A 1 28 ? -6.213 -11.139 6.934   1.00 58.77 ? 39  GLN A OE1   1 
ATOM   210 N NE2   . GLN A 1 28 ? -4.805 -10.661 8.636   1.00 47.66 ? 39  GLN A NE2   1 
ATOM   211 N N     . VAL A 1 29 ? -4.888 -17.481 5.978   1.00 32.27 ? 40  VAL A N     1 
ATOM   212 C CA    . VAL A 1 29 ? -5.512 -18.704 5.468   1.00 33.29 ? 40  VAL A CA    1 
ATOM   213 C C     . VAL A 1 29 ? -4.944 -19.900 6.234   1.00 39.37 ? 40  VAL A C     1 
ATOM   214 O O     . VAL A 1 29 ? -3.861 -19.815 6.832   1.00 32.62 ? 40  VAL A O     1 
ATOM   215 C CB    . VAL A 1 29 ? -5.298 -18.859 3.943   1.00 40.29 ? 40  VAL A CB    1 
ATOM   216 C CG1   . VAL A 1 29 ? -5.719 -17.602 3.212   1.00 41.24 ? 40  VAL A CG1   1 
ATOM   217 C CG2   . VAL A 1 29 ? -3.822 -19.130 3.656   1.00 33.09 ? 40  VAL A CG2   1 
ATOM   218 N N     . PRO A 1 30 ? -5.651 -21.029 6.217   1.00 36.97 ? 41  PRO A N     1 
ATOM   219 C CA    . PRO A 1 30 ? -5.183 -22.214 6.957   1.00 41.76 ? 41  PRO A CA    1 
ATOM   220 C C     . PRO A 1 30 ? -3.915 -22.820 6.373   1.00 39.25 ? 41  PRO A C     1 
ATOM   221 O O     . PRO A 1 30 ? -3.549 -22.587 5.220   1.00 40.69 ? 41  PRO A O     1 
ATOM   222 C CB    . PRO A 1 30 ? -6.346 -23.191 6.800   1.00 34.93 ? 41  PRO A CB    1 
ATOM   223 C CG    . PRO A 1 30 ? -7.547 -22.313 6.441   1.00 45.56 ? 41  PRO A CG    1 
ATOM   224 C CD    . PRO A 1 30 ? -6.960 -21.267 5.576   1.00 38.94 ? 41  PRO A CD    1 
ATOM   225 N N     . LYS A 1 31 ? -3.289 -23.679 7.193   1.00 32.63 ? 42  LYS A N     1 
ATOM   226 C CA    . LYS A 1 31 ? -2.047 -24.351 6.819   1.00 38.15 ? 42  LYS A CA    1 
ATOM   227 C C     . LYS A 1 31 ? -2.196 -25.169 5.536   1.00 32.95 ? 42  LYS A C     1 
ATOM   228 O O     . LYS A 1 31 ? -1.304 -25.136 4.689   1.00 34.14 ? 42  LYS A O     1 
ATOM   229 C CB    . LYS A 1 31 ? -1.568 -25.252 7.954   1.00 39.90 ? 42  LYS A CB    1 
ATOM   230 C CG    . LYS A 1 31 ? -0.281 -25.945 7.620   1.00 45.41 ? 42  LYS A CG    1 
ATOM   231 N N     . LYS A 1 32 ? -3.312 -25.884 5.370   1.00 35.88 ? 43  LYS A N     1 
ATOM   232 C CA    . LYS A 1 32 ? -3.502 -26.726 4.155   1.00 31.89 ? 43  LYS A CA    1 
ATOM   233 C C     . LYS A 1 32 ? -3.506 -25.821 2.922   1.00 39.16 ? 43  LYS A C     1 
ATOM   234 O O     . LYS A 1 32 ? -2.830 -26.159 1.939   1.00 36.68 ? 43  LYS A O     1 
ATOM   235 C CB    . LYS A 1 32 ? -4.820 -27.503 4.196   1.00 34.27 ? 43  LYS A CB    1 
ATOM   236 C CG    . LYS A 1 32 ? -5.134 -28.303 2.939   1.00 36.55 ? 43  LYS A CG    1 
ATOM   237 C CD    . LYS A 1 32 ? -6.461 -29.020 2.998   1.00 40.32 ? 43  LYS A CD    1 
ATOM   238 C CE    . LYS A 1 32 ? -6.307 -30.520 3.128   1.00 42.69 ? 43  LYS A CE    1 
ATOM   239 N NZ    . LYS A 1 32 ? -7.584 -31.169 3.509   1.00 46.23 ? 43  LYS A NZ    1 
ATOM   240 N N     . THR A 1 33 ? -4.237 -24.710 2.991   1.00 31.81 ? 44  THR A N     1 
ATOM   241 C CA    . THR A 1 33 ? -4.315 -23.789 1.862   1.00 34.41 ? 44  THR A CA    1 
ATOM   242 C C     . THR A 1 33 ? -2.957 -23.202 1.533   1.00 38.92 ? 44  THR A C     1 
ATOM   243 O O     . THR A 1 33 ? -2.611 -23.046 0.354   1.00 30.86 ? 44  THR A O     1 
ATOM   244 C CB    . THR A 1 33 ? -5.314 -22.689 2.180   1.00 39.32 ? 44  THR A CB    1 
ATOM   245 O OG1   . THR A 1 33 ? -6.503 -23.313 2.671   1.00 36.04 ? 44  THR A OG1   1 
ATOM   246 C CG2   . THR A 1 33 ? -5.607 -21.833 0.966   1.00 38.22 ? 44  THR A CG2   1 
ATOM   247 N N     . LEU A 1 34 ? -2.183 -22.857 2.561   1.00 32.99 ? 45  LEU A N     1 
ATOM   248 C CA    . LEU A 1 34 ? -0.819 -22.399 2.337   1.00 32.03 ? 45  LEU A CA    1 
ATOM   249 C C     . LEU A 1 34 ? 0.009  -23.486 1.677   1.00 35.02 ? 45  LEU A C     1 
ATOM   250 O O     . LEU A 1 34 ? 0.730  -23.237 0.702   1.00 36.61 ? 45  LEU A O     1 
ATOM   251 C CB    . LEU A 1 34 ? -0.192 -21.980 3.665   1.00 29.07 ? 45  LEU A CB    1 
ATOM   252 C CG    . LEU A 1 34 ? -0.630 -20.604 4.147   1.00 38.77 ? 45  LEU A CG    1 
ATOM   253 C CD1   . LEU A 1 34 ? -0.102 -20.313 5.525   1.00 34.90 ? 45  LEU A CD1   1 
ATOM   254 C CD2   . LEU A 1 34 ? -0.153 -19.546 3.175   1.00 42.39 ? 45  LEU A CD2   1 
ATOM   255 N N     . ASN A 1 35 ? -0.091 -24.709 2.191   1.00 31.42 ? 46  ASN A N     1 
ATOM   256 C CA    . ASN A 1 35 ? 0.780  -25.761 1.696   1.00 28.42 ? 46  ASN A CA    1 
ATOM   257 C C     . ASN A 1 35 ? 0.459  -26.122 0.257   1.00 33.71 ? 46  ASN A C     1 
ATOM   258 O O     . ASN A 1 35 ? 1.372  -26.465 -0.501  1.00 33.65 ? 46  ASN A O     1 
ATOM   259 C CB    . ASN A 1 35 ? 0.703  -26.990 2.606   1.00 32.34 ? 46  ASN A CB    1 
ATOM   260 C CG    . ASN A 1 35 ? 1.632  -26.869 3.800   1.00 32.39 ? 46  ASN A CG    1 
ATOM   261 O OD1   . ASN A 1 35 ? 2.718  -26.275 3.693   1.00 33.71 ? 46  ASN A OD1   1 
ATOM   262 N ND2   . ASN A 1 35 ? 1.220  -27.409 4.939   1.00 30.48 ? 46  ASN A ND2   1 
ATOM   263 N N     . GLN A 1 36 ? -0.816 -26.054 -0.141  1.00 30.19 ? 47  GLN A N     1 
ATOM   264 C CA    . GLN A 1 36 ? -1.137 -26.267 -1.548  1.00 32.69 ? 47  GLN A CA    1 
ATOM   265 C C     . GLN A 1 36 ? -0.332 -25.329 -2.436  1.00 35.10 ? 47  GLN A C     1 
ATOM   266 O O     . GLN A 1 36 ? 0.245  -25.752 -3.445  1.00 38.45 ? 47  GLN A O     1 
ATOM   267 C CB    . GLN A 1 36 ? -2.636 -26.084 -1.800  1.00 35.25 ? 47  GLN A CB    1 
ATOM   268 C CG    . GLN A 1 36 ? -3.488 -27.226 -1.237  1.00 43.10 ? 47  GLN A CG    1 
ATOM   269 C CD    . GLN A 1 36 ? -4.958 -26.863 -1.094  1.00 43.37 ? 47  GLN A CD    1 
ATOM   270 O OE1   . GLN A 1 36 ? -5.327 -25.686 -1.047  1.00 40.91 ? 47  GLN A OE1   1 
ATOM   271 N NE2   . GLN A 1 36 ? -5.807 -27.880 -1.050  1.00 42.26 ? 47  GLN A NE2   1 
ATOM   272 N N     . VAL A 1 37 ? -0.282 -24.043 -2.078  1.00 32.19 ? 48  VAL A N     1 
ATOM   273 C CA    . VAL A 1 37 ? 0.442  -23.084 -2.911  1.00 34.06 ? 48  VAL A CA    1 
ATOM   274 C C     . VAL A 1 37 ? 1.943  -23.258 -2.761  1.00 34.86 ? 48  VAL A C     1 
ATOM   275 O O     . VAL A 1 37 ? 2.682  -23.228 -3.756  1.00 34.08 ? 48  VAL A O     1 
ATOM   276 C CB    . VAL A 1 37 ? 0.027  -21.641 -2.580  1.00 39.37 ? 48  VAL A CB    1 
ATOM   277 C CG1   . VAL A 1 37 ? 0.725  -20.679 -3.530  1.00 40.10 ? 48  VAL A CG1   1 
ATOM   278 C CG2   . VAL A 1 37 ? -1.480 -21.478 -2.708  1.00 32.42 ? 48  VAL A CG2   1 
ATOM   279 N N     . LEU A 1 38 ? 2.403  -23.442 -1.517  1.00 31.06 ? 49  LEU A N     1 
ATOM   280 C CA    . LEU A 1 38 ? 3.831  -23.551 -1.234  1.00 29.17 ? 49  LEU A CA    1 
ATOM   281 C C     . LEU A 1 38 ? 4.452  -24.708 -1.992  1.00 30.12 ? 49  LEU A C     1 
ATOM   282 O O     . LEU A 1 38 ? 5.507  -24.566 -2.616  1.00 33.94 ? 49  LEU A O     1 
ATOM   283 C CB    . LEU A 1 38 ? 4.043  -23.716 0.262   1.00 28.17 ? 49  LEU A CB    1 
ATOM   284 C CG    . LEU A 1 38 ? 3.894  -22.417 1.051   1.00 27.59 ? 49  LEU A CG    1 
ATOM   285 C CD1   . LEU A 1 38 ? 3.818  -22.758 2.525   1.00 27.22 ? 49  LEU A CD1   1 
ATOM   286 C CD2   . LEU A 1 38 ? 5.077  -21.476 0.759   1.00 27.67 ? 49  LEU A CD2   1 
ATOM   287 N N     . TYR A 1 39 ? 3.795  -25.862 -1.975  1.00 32.08 ? 50  TYR A N     1 
ATOM   288 C CA    . TYR A 1 39 ? 4.353  -26.989 -2.704  1.00 29.63 ? 50  TYR A CA    1 
ATOM   289 C C     . TYR A 1 39 ? 4.273  -26.788 -4.211  1.00 38.73 ? 50  TYR A C     1 
ATOM   290 O O     . TYR A 1 39 ? 5.125  -27.301 -4.950  1.00 41.12 ? 50  TYR A O     1 
ATOM   291 C CB    . TYR A 1 39 ? 3.648  -28.271 -2.280  1.00 33.59 ? 50  TYR A CB    1 
ATOM   292 C CG    . TYR A 1 39 ? 4.243  -28.777 -0.990  1.00 33.64 ? 50  TYR A CG    1 
ATOM   293 C CD1   . TYR A 1 39 ? 5.412  -29.539 -0.998  1.00 36.19 ? 50  TYR A CD1   1 
ATOM   294 C CD2   . TYR A 1 39 ? 3.688  -28.435 0.233   1.00 34.03 ? 50  TYR A CD2   1 
ATOM   295 C CE1   . TYR A 1 39 ? 5.980  -29.985 0.177   1.00 33.52 ? 50  TYR A CE1   1 
ATOM   296 C CE2   . TYR A 1 39 ? 4.252  -28.879 1.416   1.00 33.03 ? 50  TYR A CE2   1 
ATOM   297 C CZ    . TYR A 1 39 ? 5.404  -29.650 1.381   1.00 35.93 ? 50  TYR A CZ    1 
ATOM   298 O OH    . TYR A 1 39 ? 5.973  -30.100 2.559   1.00 39.19 ? 50  TYR A OH    1 
ATOM   299 N N     . ARG A 1 40 ? 3.272  -26.044 -4.681  1.00 32.53 ? 51  ARG A N     1 
ATOM   300 C CA    . ARG A 1 40 ? 3.216  -25.720 -6.131  1.00 35.94 ? 51  ARG A CA    1 
ATOM   301 C C     . ARG A 1 40 ? 4.366  -24.757 -6.428  1.00 38.18 ? 51  ARG A C     1 
ATOM   302 O O     . ARG A 1 40 ? 5.090  -24.989 -7.408  1.00 40.68 ? 51  ARG A O     1 
ATOM   303 C CB    . ARG A 1 40 ? 1.871  -25.094 -6.498  1.00 43.21 ? 51  ARG A CB    1 
ATOM   304 C CG    . ARG A 1 40 ? 1.724  -24.763 -7.975  1.00 51.77 ? 51  ARG A CG    1 
ATOM   305 C CD    . ARG A 1 40 ? 0.431  -24.030 -8.269  1.00 53.20 ? 51  ARG A CD    1 
ATOM   306 N NE    . ARG A 1 40 ? 0.523  -22.608 -7.979  1.00 67.88 ? 51  ARG A NE    1 
ATOM   307 C CZ    . ARG A 1 40 ? -0.311 -21.951 -7.184  1.00 74.52 ? 51  ARG A CZ    1 
ATOM   308 N NH1   . ARG A 1 40 ? -1.305 -22.592 -6.593  1.00 70.31 ? 51  ARG A NH1   1 
ATOM   309 N NH2   . ARG A 1 40 ? -0.151 -20.657 -6.983  1.00 70.79 ? 51  ARG A NH2   1 
ATOM   310 N N     . LEU A 1 41 ? 4.521  -23.718 -5.603  1.00 33.23 ? 52  LEU A N     1 
ATOM   311 C CA    . LEU A 1 41 ? 5.653  -22.806 -5.771  1.00 35.36 ? 52  LEU A CA    1 
ATOM   312 C C     . LEU A 1 41 ? 6.981  -23.547 -5.680  1.00 39.88 ? 52  LEU A C     1 
ATOM   313 O O     . LEU A 1 41 ? 7.923  -23.246 -6.426  1.00 42.54 ? 52  LEU A O     1 
ATOM   314 C CB    . LEU A 1 41 ? 5.600  -21.684 -4.734  1.00 36.14 ? 52  LEU A CB    1 
ATOM   315 C CG    . LEU A 1 41 ? 4.463  -20.675 -4.879  1.00 34.35 ? 52  LEU A CG    1 
ATOM   316 C CD1   . LEU A 1 41 ? 4.517  -19.660 -3.729  1.00 32.81 ? 52  LEU A CD1   1 
ATOM   317 C CD2   . LEU A 1 41 ? 4.626  -19.967 -6.201  1.00 42.58 ? 52  LEU A CD2   1 
ATOM   318 N N     . LYS A 1 42 ? 7.075  -24.526 -4.777  1.00 35.12 ? 53  LYS A N     1 
ATOM   319 C CA    . LYS A 1 42 ? 8.289  -25.330 -4.678  1.00 37.64 ? 53  LYS A CA    1 
ATOM   320 C C     . LYS A 1 42 ? 8.555  -26.068 -5.981  1.00 42.81 ? 53  LYS A C     1 
ATOM   321 O O     . LYS A 1 42 ? 9.670  -26.020 -6.511  1.00 47.83 ? 53  LYS A O     1 
ATOM   322 C CB    . LYS A 1 42 ? 8.182  -26.317 -3.517  1.00 38.93 ? 53  LYS A CB    1 
ATOM   323 C CG    . LYS A 1 42 ? 9.482  -27.054 -3.174  1.00 47.14 ? 53  LYS A CG    1 
ATOM   324 C CD    . LYS A 1 42 ? 9.240  -28.227 -2.222  1.00 49.54 ? 53  LYS A CD    1 
ATOM   325 C CE    . LYS A 1 42 ? 10.542 -28.899 -1.797  1.00 56.64 ? 53  LYS A CE    1 
ATOM   326 N NZ    . LYS A 1 42 ? 11.382 -29.324 -2.943  1.00 65.82 ? 53  LYS A NZ    1 
ATOM   327 N N     . LYS A 1 43 ? 7.531  -26.747 -6.520  1.00 43.36 ? 54  LYS A N     1 
ATOM   328 C CA    . LYS A 1 43 ? 7.658  -27.398 -7.824  1.00 45.77 ? 54  LYS A CA    1 
ATOM   329 C C     . LYS A 1 43 ? 8.181  -26.438 -8.884  1.00 50.88 ? 54  LYS A C     1 
ATOM   330 O O     . LYS A 1 43 ? 8.960  -26.837 -9.758  1.00 54.61 ? 54  LYS A O     1 
ATOM   331 C CB    . LYS A 1 43 ? 6.304  -27.959 -8.275  1.00 46.36 ? 54  LYS A CB    1 
ATOM   332 C CG    . LYS A 1 43 ? 6.365  -29.299 -9.008  1.00 59.93 ? 54  LYS A CG    1 
ATOM   333 C CD    . LYS A 1 43 ? 6.324  -30.475 -8.035  1.00 76.55 ? 54  LYS A CD    1 
ATOM   334 C CE    . LYS A 1 43 ? 4.996  -30.531 -7.274  1.00 82.89 ? 54  LYS A CE    1 
ATOM   335 N NZ    . LYS A 1 43 ? 5.082  -31.270 -5.979  1.00 80.83 ? 54  LYS A NZ    1 
ATOM   336 N N     . GLU A 1 44 ? 7.774  -25.169 -8.812  1.00 47.65 ? 55  GLU A N     1 
ATOM   337 C CA    . GLU A 1 44 ? 8.142  -24.146 -9.779  1.00 49.99 ? 55  GLU A CA    1 
ATOM   338 C C     . GLU A 1 44 ? 9.491  -23.492 -9.480  1.00 52.80 ? 55  GLU A C     1 
ATOM   339 O O     . GLU A 1 44 ? 9.868  -22.543 -10.179 1.00 49.30 ? 55  GLU A O     1 
ATOM   340 C CB    . GLU A 1 44 ? 7.046  -23.081 -9.835  1.00 50.49 ? 55  GLU A CB    1 
ATOM   341 C CG    . GLU A 1 44 ? 5.898  -23.407 -10.773 1.00 60.16 ? 55  GLU A CG    1 
ATOM   342 C CD    . GLU A 1 44 ? 4.586  -22.770 -10.344 1.00 59.20 ? 55  GLU A CD    1 
ATOM   343 O OE1   . GLU A 1 44 ? 4.622  -21.695 -9.701  1.00 60.77 ? 55  GLU A OE1   1 
ATOM   344 O OE2   . GLU A 1 44 ? 3.518  -23.333 -10.672 1.00 69.51 ? 55  GLU A OE2   1 
ATOM   345 N N     . ASP A 1 45 ? 10.224 -23.988 -8.480  1.00 48.64 ? 56  ASP A N     1 
ATOM   346 C CA    . ASP A 1 45 ? 11.496 -23.400 -8.042  1.00 51.86 ? 56  ASP A CA    1 
ATOM   347 C C     . ASP A 1 45 ? 11.346 -21.918 -7.727  1.00 53.12 ? 56  ASP A C     1 
ATOM   348 O O     . ASP A 1 45 ? 12.255 -21.116 -7.949  1.00 49.41 ? 56  ASP A O     1 
ATOM   349 C CB    . ASP A 1 45 ? 12.612 -23.635 -9.062  1.00 50.10 ? 56  ASP A CB    1 
ATOM   350 C CG    . ASP A 1 45 ? 12.672 -25.076 -9.539  1.00 61.51 ? 56  ASP A CG    1 
ATOM   351 O OD1   . ASP A 1 45 ? 12.617 -25.312 -10.764 1.00 66.80 ? 56  ASP A OD1   1 
ATOM   352 O OD2   . ASP A 1 45 ? 12.787 -25.983 -8.679  1.00 70.55 ? 56  ASP A OD2   1 
ATOM   353 N N     . ARG A 1 46 ? 10.191 -21.557 -7.159  1.00 38.67 ? 57  ARG A N     1 
ATOM   354 C CA    . ARG A 1 46 ? 9.965  -20.152 -6.732  1.00 43.21 ? 57  ARG A CA    1 
ATOM   355 C C     . ARG A 1 46 ? 10.254 -20.039 -5.231  1.00 40.22 ? 57  ARG A C     1 
ATOM   356 O O     . ARG A 1 46 ? 10.684 -18.964 -4.795  1.00 40.23 ? 57  ARG A O     1 
ATOM   357 C CB    . ARG A 1 46 ? 8.529  -19.722 -7.031  1.00 39.87 ? 57  ARG A CB    1 
ATOM   358 C CG    . ARG A 1 46 ? 8.175  -19.687 -8.510  1.00 47.55 ? 57  ARG A CG    1 
ATOM   359 C CD    . ARG A 1 46 ? 8.842  -18.567 -9.287  1.00 50.10 ? 57  ARG A CD    1 
ATOM   360 N NE    . ARG A 1 46 ? 9.062  -17.345 -8.525  1.00 62.72 ? 57  ARG A NE    1 
ATOM   361 C CZ    . ARG A 1 46 ? 8.309  -16.254 -8.601  1.00 57.04 ? 57  ARG A CZ    1 
ATOM   362 N NH1   . ARG A 1 46 ? 7.265  -16.224 -9.412  1.00 54.13 ? 57  ARG A NH1   1 
ATOM   363 N NH2   . ARG A 1 46 ? 8.602  -15.198 -7.866  1.00 77.71 ? 57  ARG A NH2   1 
ATOM   364 N N     . VAL A 1 47 ? 10.022 -21.110 -4.470  1.00 33.00 ? 58  VAL A N     1 
ATOM   365 C CA    . VAL A 1 47 ? 10.334 -21.093 -3.042  1.00 33.01 ? 58  VAL A CA    1 
ATOM   366 C C     . VAL A 1 47 ? 11.148 -22.348 -2.747  1.00 43.90 ? 58  VAL A C     1 
ATOM   367 O O     . VAL A 1 47 ? 11.219 -23.274 -3.558  1.00 40.86 ? 58  VAL A O     1 
ATOM   368 C CB    . VAL A 1 47 ? 9.074  -21.048 -2.142  1.00 30.73 ? 58  VAL A CB    1 
ATOM   369 C CG1   . VAL A 1 47 ? 8.267  -19.772 -2.396  1.00 33.95 ? 58  VAL A CG1   1 
ATOM   370 C CG2   . VAL A 1 47 ? 8.229  -22.329 -2.296  1.00 28.93 ? 58  VAL A CG2   1 
ATOM   371 N N     . SER A 1 48 ? 11.780 -22.372 -1.577  1.00 41.14 ? 59  SER A N     1 
ATOM   372 C CA    . SER A 1 48 ? 12.489 -23.563 -1.123  1.00 41.35 ? 59  SER A CA    1 
ATOM   373 C C     . SER A 1 48 ? 12.046 -23.922 0.289   1.00 39.69 ? 59  SER A C     1 
ATOM   374 O O     . SER A 1 48 ? 11.427 -23.121 0.997   1.00 35.22 ? 59  SER A O     1 
ATOM   375 C CB    . SER A 1 48 ? 14.008 -23.380 -1.167  1.00 47.24 ? 59  SER A CB    1 
ATOM   376 O OG    . SER A 1 48 ? 14.357 -22.040 -0.880  1.00 59.07 ? 59  SER A OG    1 
ATOM   377 N N     . SER A 1 49 ? 12.373 -25.140 0.706   1.00 39.63 ? 60  SER A N     1 
ATOM   378 C CA    . SER A 1 49 ? 12.028 -25.594 2.052   1.00 37.75 ? 60  SER A CA    1 
ATOM   379 C C     . SER A 1 49 ? 13.297 -26.085 2.743   1.00 45.16 ? 60  SER A C     1 
ATOM   380 O O     . SER A 1 49 ? 13.618 -27.279 2.698   1.00 49.21 ? 60  SER A O     1 
ATOM   381 C CB    . SER A 1 49 ? 10.953 -26.672 2.012   1.00 41.47 ? 60  SER A CB    1 
ATOM   382 O OG    . SER A 1 49 ? 10.427 -26.874 3.307   1.00 42.35 ? 60  SER A OG    1 
ATOM   383 N N     . PRO A 1 50 ? 14.031 -25.185 3.412   1.00 40.56 ? 61  PRO A N     1 
ATOM   384 C CA    . PRO A 1 50 ? 15.320 -25.580 4.013   1.00 45.43 ? 61  PRO A CA    1 
ATOM   385 C C     . PRO A 1 50 ? 15.161 -26.512 5.191   1.00 45.97 ? 61  PRO A C     1 
ATOM   386 O O     . PRO A 1 50 ? 16.154 -27.082 5.668   1.00 44.71 ? 61  PRO A O     1 
ATOM   387 C CB    . PRO A 1 50 ? 15.916 -24.241 4.467   1.00 42.78 ? 61  PRO A CB    1 
ATOM   388 C CG    . PRO A 1 50 ? 14.680 -23.429 4.791   1.00 38.82 ? 61  PRO A CG    1 
ATOM   389 C CD    . PRO A 1 50 ? 13.722 -23.771 3.678   1.00 42.76 ? 61  PRO A CD    1 
ATOM   390 N N     . GLU A 1 51 ? 13.941 -26.662 5.675   1.00 39.94 ? 62  GLU A N     1 
ATOM   391 C CA    . GLU A 1 51 ? 13.616 -27.423 6.869   1.00 44.63 ? 62  GLU A CA    1 
ATOM   392 C C     . GLU A 1 51 ? 12.170 -27.851 6.763   1.00 44.44 ? 62  GLU A C     1 
ATOM   393 O O     . GLU A 1 51 ? 11.372 -27.170 6.111   1.00 39.21 ? 62  GLU A O     1 
ATOM   394 C CB    . GLU A 1 51 ? 13.776 -26.574 8.122   1.00 38.13 ? 62  GLU A CB    1 
ATOM   395 C CG    . GLU A 1 51 ? 15.066 -26.532 8.785   1.00 57.25 ? 62  GLU A CG    1 
ATOM   396 C CD    . GLU A 1 51 ? 14.919 -25.549 9.890   1.00 77.12 ? 62  GLU A CD    1 
ATOM   397 O OE1   . GLU A 1 51 ? 14.286 -25.971 10.872  1.00 78.10 ? 62  GLU A OE1   1 
ATOM   398 O OE2   . GLU A 1 51 ? 15.386 -24.387 9.774   1.00 66.43 ? 62  GLU A OE2   1 
ATOM   399 N N     . PRO A 1 52 ? 11.784 -28.925 7.443   1.00 45.57 ? 63  PRO A N     1 
ATOM   400 C CA    . PRO A 1 52 ? 10.373 -29.329 7.421   1.00 37.90 ? 63  PRO A CA    1 
ATOM   401 C C     . PRO A 1 52 ? 9.452  -28.216 7.915   1.00 37.90 ? 63  PRO A C     1 
ATOM   402 O O     . PRO A 1 52 ? 9.730  -27.532 8.911   1.00 33.56 ? 63  PRO A O     1 
ATOM   403 C CB    . PRO A 1 52 ? 10.353 -30.573 8.316   1.00 44.12 ? 63  PRO A CB    1 
ATOM   404 C CG    . PRO A 1 52 ? 11.539 -30.442 9.184   1.00 49.52 ? 63  PRO A CG    1 
ATOM   405 C CD    . PRO A 1 52 ? 12.585 -29.769 8.339   1.00 41.22 ? 63  PRO A CD    1 
ATOM   406 N N     . ALA A 1 53 ? 8.380  -28.002 7.150   1.00 30.86 ? 64  ALA A N     1 
ATOM   407 C CA    . ALA A 1 53 ? 7.355  -26.983 7.369   1.00 26.93 ? 64  ALA A CA    1 
ATOM   408 C C     . ALA A 1 53 ? 7.949  -25.588 7.474   1.00 29.78 ? 64  ALA A C     1 
ATOM   409 O O     . ALA A 1 53 ? 7.362  -24.705 8.100   1.00 26.38 ? 64  ALA A O     1 
ATOM   410 C CB    . ALA A 1 53 ? 6.505  -27.289 8.606   1.00 36.22 ? 64  ALA A CB    1 
ATOM   411 N N     . THR A 1 54 ? 9.100  -25.378 6.846   1.00 30.47 ? 65  THR A N     1 
ATOM   412 C CA    . THR A 1 54 ? 9.798  -24.106 6.880   1.00 26.67 ? 65  THR A CA    1 
ATOM   413 C C     . THR A 1 54 ? 10.118 -23.693 5.453   1.00 36.15 ? 65  THR A C     1 
ATOM   414 O O     . THR A 1 54 ? 10.557 -24.523 4.653   1.00 31.37 ? 65  THR A O     1 
ATOM   415 C CB    . THR A 1 54 ? 11.067 -24.229 7.679   1.00 33.90 ? 65  THR A CB    1 
ATOM   416 O OG1   . THR A 1 54 ? 10.748 -24.805 8.950   1.00 37.04 ? 65  THR A OG1   1 
ATOM   417 C CG2   . THR A 1 54 ? 11.686 -22.867 7.898   1.00 33.88 ? 65  THR A CG2   1 
ATOM   418 N N     . TRP A 1 55 ? 9.926  -22.408 5.138   1.00 25.27 ? 66  TRP A N     1 
ATOM   419 C CA    . TRP A 1 55 ? 9.902  -21.966 3.747   1.00 25.25 ? 66  TRP A CA    1 
ATOM   420 C C     . TRP A 1 55 ? 10.696 -20.688 3.585   1.00 29.05 ? 66  TRP A C     1 
ATOM   421 O O     . TRP A 1 55 ? 10.755 -19.854 4.495   1.00 28.78 ? 66  TRP A O     1 
ATOM   422 C CB    . TRP A 1 55 ? 8.462  -21.741 3.268   1.00 27.81 ? 66  TRP A CB    1 
ATOM   423 C CG    . TRP A 1 55 ? 7.693  -22.979 3.374   1.00 27.94 ? 66  TRP A CG    1 
ATOM   424 C CD1   . TRP A 1 55 ? 6.991  -23.433 4.466   1.00 32.34 ? 66  TRP A CD1   1 
ATOM   425 C CD2   . TRP A 1 55 ? 7.557  -23.973 2.366   1.00 26.48 ? 66  TRP A CD2   1 
ATOM   426 N NE1   . TRP A 1 55 ? 6.418  -24.658 4.186   1.00 25.90 ? 66  TRP A NE1   1 
ATOM   427 C CE2   . TRP A 1 55 ? 6.743  -25.002 2.897   1.00 27.95 ? 66  TRP A CE2   1 
ATOM   428 C CE3   . TRP A 1 55 ? 8.024  -24.087 1.051   1.00 24.59 ? 66  TRP A CE3   1 
ATOM   429 C CZ2   . TRP A 1 55 ? 6.399  -26.128 2.163   1.00 36.90 ? 66  TRP A CZ2   1 
ATOM   430 C CZ3   . TRP A 1 55 ? 7.683  -25.214 0.327   1.00 28.84 ? 66  TRP A CZ3   1 
ATOM   431 C CH2   . TRP A 1 55 ? 6.880  -26.218 0.883   1.00 29.85 ? 66  TRP A CH2   1 
ATOM   432 N N     . SER A 1 56 ? 11.314 -20.535 2.412   1.00 28.08 ? 67  SER A N     1 
ATOM   433 C CA    . SER A 1 56 ? 12.086 -19.330 2.151   1.00 30.00 ? 67  SER A CA    1 
ATOM   434 C C     . SER A 1 56 ? 12.071 -19.057 0.652   1.00 30.76 ? 67  SER A C     1 
ATOM   435 O O     . SER A 1 56 ? 11.648 -19.894 -0.147  1.00 33.41 ? 67  SER A O     1 
ATOM   436 C CB    . SER A 1 56 ? 13.506 -19.464 2.709   1.00 34.93 ? 67  SER A CB    1 
ATOM   437 O OG    . SER A 1 56 ? 14.175 -20.525 2.067   1.00 40.49 ? 67  SER A OG    1 
ATOM   438 N N     . ILE A 1 57 ? 12.527 -17.863 0.271   1.00 36.03 ? 68  ILE A N     1 
ATOM   439 C CA    . ILE A 1 57 ? 12.575 -17.516 -1.148  1.00 33.90 ? 68  ILE A CA    1 
ATOM   440 C C     . ILE A 1 57 ? 13.715 -18.301 -1.791  1.00 44.54 ? 68  ILE A C     1 
ATOM   441 O O     . ILE A 1 57 ? 14.871 -18.220 -1.354  1.00 43.89 ? 68  ILE A O     1 
ATOM   442 C CB    . ILE A 1 57 ? 12.758 -16.008 -1.356  1.00 35.65 ? 68  ILE A CB    1 
ATOM   443 C CG1   . ILE A 1 57 ? 11.414 -15.284 -1.320  1.00 49.44 ? 68  ILE A CG1   1 
ATOM   444 C CG2   . ILE A 1 57 ? 13.258 -15.764 -2.766  1.00 38.28 ? 68  ILE A CG2   1 
ATOM   445 C CD1   . ILE A 1 57 ? 10.451 -15.727 -2.405  1.00 40.17 ? 68  ILE A CD1   1 
ATOM   446 N N     . GLY A 1 58 ? 13.388 -19.083 -2.818  1.00 51.62 ? 69  GLY A N     1 
ATOM   447 C CA    . GLY A 1 58 ? 14.326 -20.048 -3.374  1.00 50.69 ? 69  GLY A CA    1 
ATOM   448 C C     . GLY A 1 58 ? 13.733 -21.074 -4.326  1.00 51.12 ? 69  GLY A C     1 
ATOM   449 O O     . GLY A 1 58 ? 14.407 -21.513 -5.274  1.00 57.87 ? 69  GLY A O     1 
ATOM   450 P P     A DC  B 2 1  ? 9.463  -36.730 13.576  0.56 44.33 ? 201 DC  C P     1 
ATOM   451 O OP1   A DC  B 2 1  ? 9.737  -36.121 14.886  0.56 46.05 ? 201 DC  C OP1   1 
ATOM   452 O OP2   A DC  B 2 1  ? 8.706  -37.995 13.464  0.56 48.33 ? 201 DC  C OP2   1 
ATOM   453 O "O5'" A DC  B 2 1  ? 8.608  -35.663 12.769  0.56 53.09 ? 201 DC  C "O5'" 1 
ATOM   454 C "C5'" A DC  B 2 1  ? 8.563  -34.353 13.249  0.56 44.57 ? 201 DC  C "C5'" 1 
ATOM   455 C "C4'" A DC  B 2 1  ? 7.442  -33.549 12.625  0.56 38.94 ? 201 DC  C "C4'" 1 
ATOM   456 O "O4'" A DC  B 2 1  ? 6.228  -34.354 12.505  0.56 41.84 ? 201 DC  C "O4'" 1 
ATOM   457 C "C3'" A DC  B 2 1  ? 7.039  -32.350 13.464  0.56 40.53 ? 201 DC  C "C3'" 1 
ATOM   458 O "O3'" A DC  B 2 1  ? 6.542  -31.364 12.635  0.56 38.51 ? 201 DC  C "O3'" 1 
ATOM   459 C "C2'" A DC  B 2 1  ? 5.948  -32.936 14.340  0.56 39.15 ? 201 DC  C "C2'" 1 
ATOM   460 C "C1'" A DC  B 2 1  ? 5.209  -33.757 13.300  0.56 39.64 ? 201 DC  C "C1'" 1 
ATOM   461 N N1    A DC  B 2 1  ? 4.330  -34.817 13.889  0.56 38.76 ? 201 DC  C N1    1 
ATOM   462 C C2    A DC  B 2 1  ? 3.048  -34.473 14.342  0.56 36.10 ? 201 DC  C C2    1 
ATOM   463 O O2    A DC  B 2 1  ? 2.672  -33.299 14.252  0.56 35.60 ? 201 DC  C O2    1 
ATOM   464 N N3    A DC  B 2 1  ? 2.256  -35.439 14.870  0.56 36.07 ? 201 DC  C N3    1 
ATOM   465 C C4    A DC  B 2 1  ? 2.702  -36.694 14.962  0.56 38.04 ? 201 DC  C C4    1 
ATOM   466 N N4    A DC  B 2 1  ? 1.883  -37.613 15.491  0.56 36.79 ? 201 DC  C N4    1 
ATOM   467 C C5    A DC  B 2 1  ? 4.006  -37.066 14.507  0.56 37.83 ? 201 DC  C C5    1 
ATOM   468 C C6    A DC  B 2 1  ? 4.777  -36.105 13.980  0.56 38.48 ? 201 DC  C C6    1 
ATOM   469 P P     A DA  B 2 2  ? 7.561  -30.359 11.912  0.56 41.04 ? 202 DA  C P     1 
ATOM   470 O OP1   A DA  B 2 2  ? 8.869  -30.502 12.586  0.56 40.32 ? 202 DA  C OP1   1 
ATOM   471 O OP2   A DA  B 2 2  ? 6.892  -29.041 11.795  0.56 43.34 ? 202 DA  C OP2   1 
ATOM   472 O "O5'" A DA  B 2 2  ? 7.781  -30.998 10.470  0.56 38.36 ? 202 DA  C "O5'" 1 
ATOM   473 C "C5'" A DA  B 2 2  ? 6.713  -31.133 9.557   0.56 38.93 ? 202 DA  C "C5'" 1 
ATOM   474 C "C4'" A DA  B 2 2  ? 7.212  -31.853 8.324   0.56 39.01 ? 202 DA  C "C4'" 1 
ATOM   475 O "O4'" A DA  B 2 2  ? 7.815  -33.108 8.716   0.56 41.43 ? 202 DA  C "O4'" 1 
ATOM   476 C "C3'" A DA  B 2 2  ? 6.162  -32.165 7.282   0.56 39.14 ? 202 DA  C "C3'" 1 
ATOM   477 O "O3'" A DA  B 2 2  ? 6.198  -31.153 6.277   0.56 37.82 ? 202 DA  C "O3'" 1 
ATOM   478 C "C2'" A DA  B 2 2  ? 6.577  -33.530 6.722   0.56 40.25 ? 202 DA  C "C2'" 1 
ATOM   479 C "C1'" A DA  B 2 2  ? 7.444  -34.140 7.828   0.56 37.23 ? 202 DA  C "C1'" 1 
ATOM   480 N N9    A DA  B 2 2  ? 6.804  -35.201 8.610   0.56 41.28 ? 202 DA  C N9    1 
ATOM   481 C C8    A DA  B 2 2  ? 7.312  -36.444 8.864   0.56 37.48 ? 202 DA  C C8    1 
ATOM   482 N N7    A DA  B 2 2  ? 6.538  -37.192 9.611   0.56 37.94 ? 202 DA  C N7    1 
ATOM   483 C C5    A DA  B 2 2  ? 5.447  -36.384 9.875   0.56 38.19 ? 202 DA  C C5    1 
ATOM   484 C C6    A DA  B 2 2  ? 4.277  -36.600 10.616  0.56 36.72 ? 202 DA  C C6    1 
ATOM   485 N N6    A DA  B 2 2  ? 4.017  -37.751 11.244  0.56 34.43 ? 202 DA  C N6    1 
ATOM   486 N N1    A DA  B 2 2  ? 3.381  -35.587 10.685  0.56 34.50 ? 202 DA  C N1    1 
ATOM   487 C C2    A DA  B 2 2  ? 3.653  -34.438 10.051  0.56 36.07 ? 202 DA  C C2    1 
ATOM   488 N N3    A DA  B 2 2  ? 4.722  -34.119 9.322   0.56 38.92 ? 202 DA  C N3    1 
ATOM   489 C C4    A DA  B 2 2  ? 5.590  -35.148 9.271   0.56 38.42 ? 202 DA  C C4    1 
ATOM   490 P P     A DC  B 2 3  ? 4.879  -30.283 5.994   0.56 34.73 ? 203 DC  C P     1 
ATOM   491 O OP1   A DC  B 2 3  ? 5.151  -29.230 4.990   0.56 31.19 ? 203 DC  C OP1   1 
ATOM   492 O OP2   A DC  B 2 3  ? 4.416  -29.931 7.360   0.56 35.49 ? 203 DC  C OP2   1 
ATOM   493 O "O5'" A DC  B 2 3  ? 3.876  -31.359 5.363   0.56 34.57 ? 203 DC  C "O5'" 1 
ATOM   494 C "C5'" A DC  B 2 3  ? 3.045  -31.023 4.265   0.56 32.99 ? 203 DC  C "C5'" 1 
ATOM   495 C "C4'" A DC  B 2 3  ? 1.701  -31.706 4.421   0.56 33.25 ? 203 DC  C "C4'" 1 
ATOM   496 O "O4'" A DC  B 2 3  ? 1.896  -33.141 4.597   0.56 32.19 ? 203 DC  C "O4'" 1 
ATOM   497 C "C3'" A DC  B 2 3  ? 0.901  -31.257 5.646   0.56 30.53 ? 203 DC  C "C3'" 1 
ATOM   498 O "O3'" A DC  B 2 3  ? -0.453 -31.297 5.340   0.56 30.17 ? 203 DC  C "O3'" 1 
ATOM   499 C "C2'" A DC  B 2 3  ? 1.239  -32.331 6.670   0.56 32.18 ? 203 DC  C "C2'" 1 
ATOM   500 C "C1'" A DC  B 2 3  ? 1.215  -33.542 5.769   0.56 32.02 ? 203 DC  C "C1'" 1 
ATOM   501 N N1    A DC  B 2 3  ? 1.869  -34.737 6.348   0.56 32.87 ? 203 DC  C N1    1 
ATOM   502 C C2    A DC  B 2 3  ? 1.168  -35.503 7.279   0.56 33.39 ? 203 DC  C C2    1 
ATOM   503 O O2    A DC  B 2 3  ? 0.028  -35.152 7.604   0.56 32.23 ? 203 DC  C O2    1 
ATOM   504 N N3    A DC  B 2 3  ? 1.757  -36.606 7.803   0.56 35.14 ? 203 DC  C N3    1 
ATOM   505 C C4    A DC  B 2 3  ? 2.993  -36.942 7.427   0.56 37.39 ? 203 DC  C C4    1 
ATOM   506 N N4    A DC  B 2 3  ? 3.534  -38.039 7.969   0.56 35.71 ? 203 DC  C N4    1 
ATOM   507 C C5    A DC  B 2 3  ? 3.721  -36.175 6.471   0.56 33.55 ? 203 DC  C C5    1 
ATOM   508 C C6    A DC  B 2 3  ? 3.128  -35.089 5.962   0.56 33.38 ? 203 DC  C C6    1 
ATOM   509 P P     A DG  B 2 4  ? -1.265 -29.937 5.110   0.56 26.41 ? 204 DG  C P     1 
ATOM   510 O OP1   A DG  B 2 4  ? -0.620 -28.845 5.866   0.56 30.53 ? 204 DG  C OP1   1 
ATOM   511 O OP2   A DG  B 2 4  ? -2.705 -30.282 5.274   0.56 33.48 ? 204 DG  C OP2   1 
ATOM   512 O "O5'" A DG  B 2 4  ? -1.002 -29.610 3.568   0.56 25.07 ? 204 DG  C "O5'" 1 
ATOM   513 C "C5'" A DG  B 2 4  ? -1.447 -30.501 2.570   0.56 30.66 ? 204 DG  C "C5'" 1 
ATOM   514 C "C4'" A DG  B 2 4  ? -0.814 -30.156 1.242   0.56 30.40 ? 204 DG  C "C4'" 1 
ATOM   515 O "O4'" A DG  B 2 4  ? 0.620  -30.249 1.358   0.56 28.82 ? 204 DG  C "O4'" 1 
ATOM   516 C "C3'" A DG  B 2 4  ? -1.209 -31.087 0.121   0.56 31.30 ? 204 DG  C "C3'" 1 
ATOM   517 O "O3'" A DG  B 2 4  ? -2.322 -30.534 -0.551  0.56 33.02 ? 204 DG  C "O3'" 1 
ATOM   518 C "C2'" A DG  B 2 4  ? 0.036  -31.146 -0.772  0.56 31.44 ? 204 DG  C "C2'" 1 
ATOM   519 C "C1'" A DG  B 2 4  ? 1.182  -30.796 0.182   0.56 31.69 ? 204 DG  C "C1'" 1 
ATOM   520 N N9    A DG  B 2 4  ? 2.025  -31.914 0.593   0.56 33.10 ? 204 DG  C N9    1 
ATOM   521 C C8    A DG  B 2 4  ? 3.386  -32.033 0.425   0.56 32.04 ? 204 DG  C C8    1 
ATOM   522 N N7    A DG  B 2 4  ? 3.884  -33.122 0.946   0.56 34.06 ? 204 DG  C N7    1 
ATOM   523 C C5    A DG  B 2 4  ? 2.784  -33.760 1.507   0.56 33.67 ? 204 DG  C C5    1 
ATOM   524 C C6    A DG  B 2 4  ? 2.704  -34.986 2.211   0.56 30.94 ? 204 DG  C C6    1 
ATOM   525 O O6    A DG  B 2 4  ? 3.622  -35.781 2.474   0.56 30.79 ? 204 DG  C O6    1 
ATOM   526 N N1    A DG  B 2 4  ? 1.393  -35.267 2.610   0.56 33.20 ? 204 DG  C N1    1 
ATOM   527 C C2    A DG  B 2 4  ? 0.300  -34.456 2.361   0.56 32.45 ? 204 DG  C C2    1 
ATOM   528 N N2    A DG  B 2 4  ? -0.883 -34.886 2.821   0.56 30.27 ? 204 DG  C N2    1 
ATOM   529 N N3    A DG  B 2 4  ? 0.365  -33.306 1.709   0.56 31.18 ? 204 DG  C N3    1 
ATOM   530 C C4    A DG  B 2 4  ? 1.635  -33.022 1.310   0.56 31.79 ? 204 DG  C C4    1 
ATOM   531 P P     A DC  B 2 5  ? -3.661 -31.393 -0.720  0.56 33.31 ? 205 DC  C P     1 
ATOM   532 O OP1   A DC  B 2 5  ? -4.588 -30.559 -1.532  0.56 33.93 ? 205 DC  C OP1   1 
ATOM   533 O OP2   A DC  B 2 5  ? -4.086 -31.852 0.632   0.56 32.42 ? 205 DC  C OP2   1 
ATOM   534 O "O5'" A DC  B 2 5  ? -3.161 -32.642 -1.587  0.56 33.85 ? 205 DC  C "O5'" 1 
ATOM   535 C "C5'" A DC  B 2 5  ? -4.022 -33.261 -2.514  0.56 34.16 ? 205 DC  C "C5'" 1 
ATOM   536 C "C4'" A DC  B 2 5  ? -4.350 -34.659 -2.047  0.56 36.93 ? 205 DC  C "C4'" 1 
ATOM   537 O "O4'" A DC  B 2 5  ? -3.162 -35.491 -2.166  0.56 33.15 ? 205 DC  C "O4'" 1 
ATOM   538 C "C3'" A DC  B 2 5  ? -4.781 -34.756 -0.580  0.56 34.26 ? 205 DC  C "C3'" 1 
ATOM   539 O "O3'" A DC  B 2 5  ? -5.719 -35.781 -0.433  0.56 31.57 ? 205 DC  C "O3'" 1 
ATOM   540 C "C2'" A DC  B 2 5  ? -3.478 -35.129 0.115   0.56 34.30 ? 205 DC  C "C2'" 1 
ATOM   541 C "C1'" A DC  B 2 5  ? -2.876 -36.070 -0.912  0.56 34.85 ? 205 DC  C "C1'" 1 
ATOM   542 N N1    A DC  B 2 5  ? -1.406 -36.228 -0.778  0.56 34.58 ? 205 DC  C N1    1 
ATOM   543 C C2    A DC  B 2 5  ? -0.894 -37.344 -0.109  0.56 34.59 ? 205 DC  C C2    1 
ATOM   544 O O2    A DC  B 2 5  ? -1.682 -38.186 0.346   0.56 36.31 ? 205 DC  C O2    1 
ATOM   545 N N3    A DC  B 2 5  ? 0.454  -37.481 0.009   0.56 33.65 ? 205 DC  C N3    1 
ATOM   546 C C4    A DC  B 2 5  ? 1.268  -36.553 -0.502  0.56 34.39 ? 205 DC  C C4    1 
ATOM   547 N N4    A DC  B 2 5  ? 2.587  -36.730 -0.359  0.56 31.08 ? 205 DC  C N4    1 
ATOM   548 C C5    A DC  B 2 5  ? 0.763  -35.404 -1.187  0.56 33.36 ? 205 DC  C C5    1 
ATOM   549 C C6    A DC  B 2 5  ? -0.570 -35.281 -1.298  0.56 33.37 ? 205 DC  C C6    1 
ATOM   550 P P     A DA  B 2 6  ? -7.294 -35.487 -0.555  0.56 35.69 ? 206 DA  C P     1 
ATOM   551 O OP1   A DA  B 2 6  ? -7.564 -34.198 0.111   0.56 35.38 ? 206 DA  C OP1   1 
ATOM   552 O OP2   A DA  B 2 6  ? -7.966 -36.738 -0.129  0.56 41.30 ? 206 DA  C OP2   1 
ATOM   553 O "O5'" A DA  B 2 6  ? -7.548 -35.333 -2.126  0.56 31.24 ? 206 DA  C "O5'" 1 
ATOM   554 C "C5'" A DA  B 2 6  ? -7.547 -36.478 -2.956  0.56 37.62 ? 206 DA  C "C5'" 1 
ATOM   555 C "C4'" A DA  B 2 6  ? -7.495 -36.085 -4.422  0.56 41.90 ? 206 DA  C "C4'" 1 
ATOM   556 O "O4'" A DA  B 2 6  ? -6.554 -35.004 -4.606  0.56 40.35 ? 206 DA  C "O4'" 1 
ATOM   557 C "C3'" A DA  B 2 6  ? -7.032 -37.191 -5.348  0.56 42.69 ? 206 DA  C "C3'" 1 
ATOM   558 O "O3'" A DA  B 2 6  ? -8.165 -37.930 -5.799  0.56 50.20 ? 206 DA  C "O3'" 1 
ATOM   559 C "C2'" A DA  B 2 6  ? -6.347 -36.444 -6.502  0.56 38.76 ? 206 DA  C "C2'" 1 
ATOM   560 C "C1'" A DA  B 2 6  ? -5.941 -35.101 -5.885  0.56 40.33 ? 206 DA  C "C1'" 1 
ATOM   561 N N9    A DA  B 2 6  ? -4.496 -34.917 -5.705  0.56 40.23 ? 206 DA  C N9    1 
ATOM   562 C C8    A DA  B 2 6  ? -3.772 -33.787 -5.987  0.56 37.99 ? 206 DA  C C8    1 
ATOM   563 N N7    A DA  B 2 6  ? -2.493 -33.886 -5.696  0.56 35.29 ? 206 DA  C N7    1 
ATOM   564 C C5    A DA  B 2 6  ? -2.369 -35.168 -5.178  0.56 37.26 ? 206 DA  C C5    1 
ATOM   565 C C6    A DA  B 2 6  ? -1.261 -35.886 -4.680  0.56 36.99 ? 206 DA  C C6    1 
ATOM   566 N N6    A DA  B 2 6  ? -0.020 -35.380 -4.625  0.56 33.69 ? 206 DA  C N6    1 
ATOM   567 N N1    A DA  B 2 6  ? -1.478 -37.152 -4.244  0.56 36.64 ? 206 DA  C N1    1 
ATOM   568 C C2    A DA  B 2 6  ? -2.720 -37.652 -4.298  0.56 37.50 ? 206 DA  C C2    1 
ATOM   569 N N3    A DA  B 2 6  ? -3.839 -37.072 -4.738  0.56 37.55 ? 206 DA  C N3    1 
ATOM   570 C C4    A DA  B 2 6  ? -3.593 -35.820 -5.174  0.56 37.68 ? 206 DA  C C4    1 
ATOM   571 P P     B U   C 3 1  ? 8.124  -36.583 14.140  0.44 44.68 ? 1   U   B P     1 
ATOM   572 O OP1   B U   C 3 1  ? 7.593  -37.586 13.173  0.44 44.66 ? 1   U   B OP1   1 
ATOM   573 O OP2   B U   C 3 1  ? 7.833  -36.738 15.591  0.44 45.48 ? 1   U   B OP2   1 
ATOM   574 O "O5'" B U   C 3 1  ? 7.601  -35.145 13.700  0.44 38.64 ? 1   U   B "O5'" 1 
ATOM   575 C "C5'" B U   C 3 1  ? 7.490  -34.796 12.318  0.44 41.29 ? 1   U   B "C5'" 1 
ATOM   576 C "C4'" B U   C 3 1  ? 6.341  -33.846 12.056  0.44 40.07 ? 1   U   B "C4'" 1 
ATOM   577 O "O4'" B U   C 3 1  ? 5.076  -34.560 12.156  0.44 33.10 ? 1   U   B "O4'" 1 
ATOM   578 C "C3'" B U   C 3 1  ? 6.227  -32.664 13.017  0.44 37.32 ? 1   U   B "C3'" 1 
ATOM   579 O "O3'" B U   C 3 1  ? 5.615  -31.581 12.328  0.44 38.06 ? 1   U   B "O3'" 1 
ATOM   580 C "C2'" B U   C 3 1  ? 5.226  -33.177 14.037  0.44 40.87 ? 1   U   B "C2'" 1 
ATOM   581 O "O2'" B U   C 3 1  ? 4.566  -32.168 14.758  0.44 40.97 ? 1   U   B "O2'" 1 
ATOM   582 C "C1'" B U   C 3 1  ? 4.262  -33.932 13.134  0.44 37.96 ? 1   U   B "C1'" 1 
ATOM   583 N N1    B U   C 3 1  ? 3.448  -34.944 13.831  0.44 35.29 ? 1   U   B N1    1 
ATOM   584 C C2    B U   C 3 1  ? 2.269  -34.518 14.429  0.44 34.11 ? 1   U   B C2    1 
ATOM   585 O O2    B U   C 3 1  ? 1.878  -33.367 14.413  0.44 37.39 ? 1   U   B O2    1 
ATOM   586 N N3    B U   C 3 1  ? 1.545  -35.490 15.063  0.44 36.81 ? 1   U   B N3    1 
ATOM   587 C C4    B U   C 3 1  ? 1.855  -36.822 15.180  0.44 36.80 ? 1   U   B C4    1 
ATOM   588 O O4    B U   C 3 1  ? 1.077  -37.565 15.793  0.44 33.83 ? 1   U   B O4    1 
ATOM   589 C C5    B U   C 3 1  ? 3.082  -37.193 14.536  0.44 38.87 ? 1   U   B C5    1 
ATOM   590 C C6    B U   C 3 1  ? 3.820  -36.266 13.902  0.44 38.24 ? 1   U   B C6    1 
ATOM   591 P P     B G   C 3 2  ? 6.477  -30.311 11.862  0.44 39.99 ? 2   G   B P     1 
ATOM   592 O OP1   B G   C 3 2  ? 7.718  -30.267 12.675  0.44 39.87 ? 2   G   B OP1   1 
ATOM   593 O OP2   B G   C 3 2  ? 5.535  -29.164 11.829  0.44 36.84 ? 2   G   B OP2   1 
ATOM   594 O "O5'" B G   C 3 2  ? 6.907  -30.662 10.372  0.44 40.03 ? 2   G   B "O5'" 1 
ATOM   595 C "C5'" B G   C 3 2  ? 5.936  -30.839 9.353   0.44 35.91 ? 2   G   B "C5'" 1 
ATOM   596 C "C4'" B G   C 3 2  ? 6.443  -31.784 8.299   0.44 37.26 ? 2   G   B "C4'" 1 
ATOM   597 O "O4'" B G   C 3 2  ? 6.789  -33.052 8.898   0.44 42.52 ? 2   G   B "O4'" 1 
ATOM   598 C "C3'" B G   C 3 2  ? 5.470  -32.135 7.190   0.44 38.25 ? 2   G   B "C3'" 1 
ATOM   599 O "O3'" B G   C 3 2  ? 5.487  -31.140 6.177   0.44 36.77 ? 2   G   B "O3'" 1 
ATOM   600 C "C2'" B G   C 3 2  ? 5.968  -33.503 6.702   0.44 38.98 ? 2   G   B "C2'" 1 
ATOM   601 O "O2'" B G   C 3 2  ? 6.970  -33.357 5.702   0.44 40.07 ? 2   G   B "O2'" 1 
ATOM   602 C "C1'" B G   C 3 2  ? 6.625  -34.089 7.961   0.44 38.20 ? 2   G   B "C1'" 1 
ATOM   603 N N9    B G   C 3 2  ? 5.886  -35.200 8.604   0.44 39.58 ? 2   G   B N9    1 
ATOM   604 C C8    B G   C 3 2  ? 6.352  -36.483 8.780   0.44 38.79 ? 2   G   B C8    1 
ATOM   605 N N7    B G   C 3 2  ? 5.521  -37.269 9.409   0.44 40.35 ? 2   G   B N7    1 
ATOM   606 C C5    B G   C 3 2  ? 4.446  -36.442 9.689   0.44 39.18 ? 2   G   B C5    1 
ATOM   607 C C6    B G   C 3 2  ? 3.238  -36.730 10.361  0.44 37.24 ? 2   G   B C6    1 
ATOM   608 O O6    B G   C 3 2  ? 2.870  -37.806 10.853  0.44 40.11 ? 2   G   B O6    1 
ATOM   609 N N1    B G   C 3 2  ? 2.423  -35.605 10.418  0.44 35.35 ? 2   G   B N1    1 
ATOM   610 C C2    B G   C 3 2  ? 2.721  -34.366 9.910   0.44 35.53 ? 2   G   B C2    1 
ATOM   611 N N2    B G   C 3 2  ? 1.800  -33.405 10.081  0.44 36.12 ? 2   G   B N2    1 
ATOM   612 N N3    B G   C 3 2  ? 3.847  -34.086 9.286   0.44 37.82 ? 2   G   B N3    1 
ATOM   613 C C4    B G   C 3 2  ? 4.655  -35.163 9.208   0.44 38.09 ? 2   G   B C4    1 
ATOM   614 P P     B C   C 3 3  ? 4.194  -30.244 5.830   0.44 32.08 ? 3   C   B P     1 
ATOM   615 O OP1   B C   C 3 3  ? 4.562  -29.362 4.689   0.44 30.85 ? 3   C   B OP1   1 
ATOM   616 O OP2   B C   C 3 3  ? 3.644  -29.670 7.084   0.44 39.51 ? 3   C   B OP2   1 
ATOM   617 O "O5'" B C   C 3 3  ? 3.143  -31.306 5.296   0.44 33.29 ? 3   C   B "O5'" 1 
ATOM   618 C "C5'" B C   C 3 3  ? 2.343  -31.045 4.146   0.44 34.18 ? 3   C   B "C5'" 1 
ATOM   619 C "C4'" B C   C 3 3  ? 0.968  -31.652 4.291   0.44 31.06 ? 3   C   B "C4'" 1 
ATOM   620 O "O4'" B C   C 3 3  ? 1.074  -33.102 4.428   0.44 32.83 ? 3   C   B "O4'" 1 
ATOM   621 C "C3'" B C   C 3 3  ? 0.183  -31.177 5.515   0.44 31.05 ? 3   C   B "C3'" 1 
ATOM   622 O "O3'" B C   C 3 3  ? -1.206 -31.235 5.200   0.44 32.82 ? 3   C   B "O3'" 1 
ATOM   623 C "C2'" B C   C 3 3  ? 0.484  -32.270 6.534   0.44 33.64 ? 3   C   B "C2'" 1 
ATOM   624 O "O2'" B C   C 3 3  ? -0.448 -32.363 7.583   0.44 34.17 ? 3   C   B "O2'" 1 
ATOM   625 C "C1'" B C   C 3 3  ? 0.444  -33.497 5.636   0.44 31.58 ? 3   C   B "C1'" 1 
ATOM   626 N N1    B C   C 3 3  ? 1.089  -34.704 6.170   0.44 34.21 ? 3   C   B N1    1 
ATOM   627 C C2    B C   C 3 3  ? 0.298  -35.478 7.015   0.44 32.46 ? 3   C   B C2    1 
ATOM   628 O O2    B C   C 3 3  ? -0.847 -35.065 7.274   0.44 32.57 ? 3   C   B O2    1 
ATOM   629 N N3    B C   C 3 3  ? 0.800  -36.625 7.538   0.44 35.54 ? 3   C   B N3    1 
ATOM   630 C C4    B C   C 3 3  ? 2.035  -37.018 7.225   0.44 35.85 ? 3   C   B C4    1 
ATOM   631 N N4    B C   C 3 3  ? 2.479  -38.162 7.762   0.44 33.67 ? 3   C   B N4    1 
ATOM   632 C C5    B C   C 3 3  ? 2.866  -36.249 6.352   0.44 33.48 ? 3   C   B C5    1 
ATOM   633 C C6    B C   C 3 3  ? 2.355  -35.111 5.842   0.44 34.69 ? 3   C   B C6    1 
ATOM   634 P P     B G   C 3 4  ? -2.059 -29.893 4.970   0.44 33.90 ? 4   G   B P     1 
ATOM   635 O OP1   B G   C 3 4  ? -1.609 -28.834 5.913   0.44 31.56 ? 4   G   B OP1   1 
ATOM   636 O OP2   B G   C 3 4  ? -3.473 -30.352 4.976   0.44 33.61 ? 4   G   B OP2   1 
ATOM   637 O "O5'" B G   C 3 4  ? -1.693 -29.462 3.483   0.44 32.33 ? 4   G   B "O5'" 1 
ATOM   638 C "C5'" B G   C 3 4  ? -2.155 -30.243 2.391   0.44 33.27 ? 4   G   B "C5'" 1 
ATOM   639 C "C4'" B G   C 3 4  ? -1.414 -29.950 1.112   0.44 33.19 ? 4   G   B "C4'" 1 
ATOM   640 O "O4'" B G   C 3 4  ? 0.007  -30.145 1.301   0.44 32.22 ? 4   G   B "O4'" 1 
ATOM   641 C "C3'" B G   C 3 4  ? -1.789 -30.872 -0.035  0.44 34.33 ? 4   G   B "C3'" 1 
ATOM   642 O "O3'" B G   C 3 4  ? -2.909 -30.368 -0.738  0.44 35.48 ? 4   G   B "O3'" 1 
ATOM   643 C "C2'" B G   C 3 4  ? -0.518 -30.948 -0.884  0.44 33.92 ? 4   G   B "C2'" 1 
ATOM   644 O "O2'" B G   C 3 4  ? -0.478 -29.903 -1.842  0.44 36.06 ? 4   G   B "O2'" 1 
ATOM   645 C "C1'" B G   C 3 4  ? 0.588  -30.701 0.143   0.44 32.59 ? 4   G   B "C1'" 1 
ATOM   646 N N9    B G   C 3 4  ? 1.348  -31.901 0.543   0.44 32.37 ? 4   G   B N9    1 
ATOM   647 C C8    B G   C 3 4  ? 2.708  -32.075 0.428   0.44 31.86 ? 4   G   B C8    1 
ATOM   648 N N7    B G   C 3 4  ? 3.128  -33.212 0.915   0.44 34.80 ? 4   G   B N7    1 
ATOM   649 C C5    B G   C 3 4  ? 1.981  -33.824 1.403   0.44 32.39 ? 4   G   B C5    1 
ATOM   650 C C6    B G   C 3 4  ? 1.803  -35.083 2.048   0.44 33.94 ? 4   G   B C6    1 
ATOM   651 O O6    B G   C 3 4  ? 2.652  -35.940 2.329   0.44 32.61 ? 4   G   B O6    1 
ATOM   652 N N1    B G   C 3 4  ? 0.463  -35.312 2.362   0.44 33.39 ? 4   G   B N1    1 
ATOM   653 C C2    B G   C 3 4  ? -0.562 -34.433 2.106   0.44 33.75 ? 4   G   B C2    1 
ATOM   654 N N2    B G   C 3 4  ? -1.787 -34.806 2.490   0.44 34.61 ? 4   G   B N2    1 
ATOM   655 N N3    B G   C 3 4  ? -0.406 -33.263 1.515   0.44 33.44 ? 4   G   B N3    1 
ATOM   656 C C4    B G   C 3 4  ? 0.876  -33.023 1.185   0.44 32.73 ? 4   G   B C4    1 
ATOM   657 P P     B U   C 3 5  ? -4.299 -31.173 -0.774  0.44 37.06 ? 5   U   B P     1 
ATOM   658 O OP1   B U   C 3 5  ? -5.240 -30.315 -1.541  0.44 38.20 ? 5   U   B OP1   1 
ATOM   659 O OP2   B U   C 3 5  ? -4.661 -31.565 0.614   0.44 36.74 ? 5   U   B OP2   1 
ATOM   660 O "O5'" B U   C 3 5  ? -3.940 -32.485 -1.603  0.44 37.79 ? 5   U   B "O5'" 1 
ATOM   661 C "C5'" B U   C 3 5  ? -4.879 -33.083 -2.491  0.44 39.66 ? 5   U   B "C5'" 1 
ATOM   662 C "C4'" B U   C 3 5  ? -5.127 -34.527 -2.131  0.44 40.36 ? 5   U   B "C4'" 1 
ATOM   663 O "O4'" B U   C 3 5  ? -3.901 -35.289 -2.319  0.44 39.66 ? 5   U   B "O4'" 1 
ATOM   664 C "C3'" B U   C 3 5  ? -5.557 -34.770 -0.682  0.44 39.90 ? 5   U   B "C3'" 1 
ATOM   665 O "O3'" B U   C 3 5  ? -6.450 -35.879 -0.651  0.44 41.48 ? 5   U   B "O3'" 1 
ATOM   666 C "C2'" B U   C 3 5  ? -4.252 -35.175 -0.008  0.44 38.30 ? 5   U   B "C2'" 1 
ATOM   667 O "O2'" B U   C 3 5  ? -4.413 -35.943 1.170   0.44 38.14 ? 5   U   B "O2'" 1 
ATOM   668 C "C1'" B U   C 3 5  ? -3.582 -35.969 -1.121  0.44 38.83 ? 5   U   B "C1'" 1 
ATOM   669 N N1    B U   C 3 5  ? -2.124 -36.064 -1.008  0.44 37.51 ? 5   U   B N1    1 
ATOM   670 C C2    B U   C 3 5  ? -1.618 -37.202 -0.409  0.44 37.34 ? 5   U   B C2    1 
ATOM   671 O O2    B U   C 3 5  ? -2.324 -38.106 0.020   0.44 38.17 ? 5   U   B O2    1 
ATOM   672 N N3    B U   C 3 5  ? -0.250 -37.236 -0.332  0.44 36.30 ? 5   U   B N3    1 
ATOM   673 C C4    B U   C 3 5  ? 0.638  -36.281 -0.783  0.44 35.48 ? 5   U   B C4    1 
ATOM   674 O O4    B U   C 3 5  ? 1.843  -36.475 -0.640  0.44 34.82 ? 5   U   B O4    1 
ATOM   675 C C5    B U   C 3 5  ? 0.031  -35.138 -1.398  0.44 35.68 ? 5   U   B C5    1 
ATOM   676 C C6    B U   C 3 5  ? -1.303 -35.070 -1.490  0.44 36.66 ? 5   U   B C6    1 
ATOM   677 P P     B G   C 3 6  ? -8.034 -35.633 -0.662  0.44 43.30 ? 6   G   B P     1 
ATOM   678 O OP1   B G   C 3 6  ? -8.298 -34.361 0.051   0.44 42.46 ? 6   G   B OP1   1 
ATOM   679 O OP2   B G   C 3 6  ? -8.706 -36.896 -0.258  0.44 44.73 ? 6   G   B OP2   1 
ATOM   680 O "O5'" B G   C 3 6  ? -8.376 -35.422 -2.201  0.44 44.83 ? 6   G   B "O5'" 1 
ATOM   681 C "C5'" B G   C 3 6  ? -8.353 -36.520 -3.095  0.44 46.23 ? 6   G   B "C5'" 1 
ATOM   682 C "C4'" B G   C 3 6  ? -8.360 -36.055 -4.526  0.44 47.28 ? 6   G   B "C4'" 1 
ATOM   683 O "O4'" B G   C 3 6  ? -7.435 -34.951 -4.681  0.44 45.53 ? 6   G   B "O4'" 1 
ATOM   684 C "C3'" B G   C 3 6  ? -7.899 -37.076 -5.548  0.44 48.35 ? 6   G   B "C3'" 1 
ATOM   685 O "O3'" B G   C 3 6  ? -8.930 -37.976 -5.917  0.44 51.90 ? 6   G   B "O3'" 1 
ATOM   686 C "C2'" B G   C 3 6  ? -7.395 -36.213 -6.702  0.44 48.33 ? 6   G   B "C2'" 1 
ATOM   687 O "O2'" B G   C 3 6  ? -8.465 -35.812 -7.545  0.44 51.04 ? 6   G   B "O2'" 1 
ATOM   688 C "C1'" B G   C 3 6  ? -6.874 -34.971 -5.977  0.44 46.10 ? 6   G   B "C1'" 1 
ATOM   689 N N9    B G   C 3 6  ? -5.403 -34.894 -5.860  0.44 44.17 ? 6   G   B N9    1 
ATOM   690 C C8    B G   C 3 6  ? -4.666 -33.786 -6.213  0.44 43.06 ? 6   G   B C8    1 
ATOM   691 N N7    B G   C 3 6  ? -3.392 -33.916 -5.994  0.44 41.60 ? 6   G   B N7    1 
ATOM   692 C C5    B G   C 3 6  ? -3.269 -35.182 -5.437  0.44 41.67 ? 6   G   B C5    1 
ATOM   693 C C6    B G   C 3 6  ? -2.104 -35.862 -4.990  0.44 40.58 ? 6   G   B C6    1 
ATOM   694 O O6    B G   C 3 6  ? -0.925 -35.456 -4.990  0.44 39.36 ? 6   G   B O6    1 
ATOM   695 N N1    B G   C 3 6  ? -2.417 -37.131 -4.500  0.44 41.19 ? 6   G   B N1    1 
ATOM   696 C C2    B G   C 3 6  ? -3.684 -37.666 -4.438  0.44 42.70 ? 6   G   B C2    1 
ATOM   697 N N2    B G   C 3 6  ? -3.775 -38.902 -3.920  0.44 43.16 ? 6   G   B N2    1 
ATOM   698 N N3    B G   C 3 6  ? -4.777 -37.039 -4.851  0.44 43.82 ? 6   G   B N3    1 
ATOM   699 C C4    B G   C 3 6  ? -4.502 -35.806 -5.337  0.44 43.21 ? 6   G   B C4    1 
HETATM 700 O O     . HOH D 4 .  ? 13.602 -16.107 9.202   1.00 31.52 ? 101 HOH A O     1 
HETATM 701 O O     . HOH D 4 .  ? 4.762  -26.549 5.325   1.00 25.91 ? 102 HOH A O     1 
HETATM 702 O O     . HOH D 4 .  ? -4.352 -23.349 -1.781  1.00 37.50 ? 103 HOH A O     1 
HETATM 703 O O     . HOH D 4 .  ? 12.560 -16.142 2.852   1.00 36.91 ? 104 HOH A O     1 
HETATM 704 O O     . HOH D 4 .  ? 10.693 -16.729 -6.206  1.00 42.02 ? 105 HOH A O     1 
HETATM 705 O O     . HOH D 4 .  ? 0.021  -28.174 -4.502  1.00 42.60 ? 106 HOH A O     1 
HETATM 706 O O     . HOH D 4 .  ? -2.898 -11.362 10.995  1.00 42.88 ? 107 HOH A O     1 
HETATM 707 O O     . HOH D 4 .  ? 11.007 -11.360 9.909   1.00 38.55 ? 108 HOH A O     1 
HETATM 708 O O     . HOH D 4 .  ? 7.649  -11.157 6.394   1.00 31.19 ? 109 HOH A O     1 
HETATM 709 O O     . HOH D 4 .  ? 4.606  -23.511 12.301  1.00 33.39 ? 110 HOH A O     1 
HETATM 710 O O     . HOH D 4 .  ? 8.362  -29.356 4.641   1.00 42.37 ? 111 HOH A O     1 
HETATM 711 O O     . HOH D 4 .  ? -5.056 -27.026 7.397   1.00 33.59 ? 112 HOH A O     1 
HETATM 712 O O     . HOH D 4 .  ? -4.187 -23.522 9.983   1.00 40.64 ? 113 HOH A O     1 
HETATM 713 O O     . HOH D 4 .  ? 4.111  -14.214 11.467  1.00 38.01 ? 114 HOH A O     1 
HETATM 714 O O     . HOH D 4 .  ? 13.888 -27.041 -1.073  1.00 50.90 ? 115 HOH A O     1 
HETATM 715 O O     . HOH D 4 .  ? -6.694 -32.729 5.929   0.50 45.96 ? 116 HOH A O     1 
HETATM 716 O O     . HOH D 4 .  ? -0.459 -19.523 13.359  1.00 32.54 ? 117 HOH A O     1 
HETATM 717 O O     . HOH D 4 .  ? 9.399  -9.844  7.817   1.00 38.07 ? 118 HOH A O     1 
HETATM 718 O O     . HOH D 4 .  ? 4.875  -21.252 13.947  1.00 37.64 ? 119 HOH A O     1 
HETATM 719 O O     . HOH D 4 .  ? -7.708 -27.051 6.313   1.00 42.79 ? 120 HOH A O     1 
HETATM 720 O O     . HOH E 4 .  ? 9.737  -33.515 9.752   1.00 42.91 ? 301 HOH C O     1 
HETATM 721 O O     . HOH E 4 .  ? 5.484  -35.077 3.702   1.00 37.90 ? 302 HOH C O     1 
HETATM 722 O O     . HOH E 4 .  ? -0.867 -32.068 -5.876  1.00 43.67 ? 303 HOH C O     1 
HETATM 723 O O     . HOH E 4 .  ? -4.122 -29.698 -3.976  1.00 40.38 ? 304 HOH C O     1 
HETATM 724 O O     . HOH E 4 .  ? -6.887 -37.113 2.534   1.00 43.52 ? 305 HOH C O     1 
HETATM 725 O O     . HOH E 4 .  ? -0.058 -28.873 8.776   1.00 42.02 ? 306 HOH C O     1 
HETATM 726 O O     . HOH F 4 .  ? -3.659 -33.594 2.625   1.00 29.78 ? 101 HOH B O     1 
HETATM 727 O O     . HOH F 4 .  ? 2.640  -27.677 7.570   1.00 37.60 ? 102 HOH B O     1 
HETATM 728 O O     . HOH F 4 .  ? 3.381  -28.535 11.253  1.00 48.72 ? 103 HOH B O     1 
HETATM 729 O O     . HOH F 4 .  ? 6.785  -33.129 3.135   1.00 38.66 ? 104 HOH B O     1 
HETATM 730 O O     . HOH F 4 .  ? -1.737 -30.035 -4.103  1.00 39.66 ? 105 HOH B O     1 
HETATM 731 O O     . HOH F 4 .  ? -4.235 -29.717 7.500   1.00 43.25 ? 106 HOH B O     1 
HETATM 732 O O     . HOH F 4 .  ? 7.766  -34.483 17.211  1.00 46.28 ? 107 HOH B O     1 
HETATM 733 O O     . HOH F 4 .  ? -3.689 -33.108 5.464   1.00 32.28 ? 108 HOH B O     1 
HETATM 734 O O     . HOH F 4 .  ? 2.331  -30.650 9.493   1.00 40.14 ? 109 HOH B O     1 
HETATM 735 O O     . HOH F 4 .  ? 6.814  -36.858 5.298   1.00 42.06 ? 110 HOH B O     1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1   N N     . ASP A 1  ? 0.6673 0.8502 0.7099 0.0067  -0.0083 0.0448  12  ASP A N     
2   C CA    . ASP A 1  ? 0.7677 0.9414 0.8172 0.0051  -0.0196 0.0704  12  ASP A CA    
3   C C     . ASP A 1  ? 0.6972 0.8184 0.7530 0.0011  -0.0289 0.0713  12  ASP A C     
4   O O     . ASP A 1  ? 0.5280 0.6373 0.5773 -0.0157 -0.0333 0.0852  12  ASP A O     
5   C CB    . ASP A 1  ? 0.7520 0.9349 0.8133 0.0205  -0.0252 0.0734  12  ASP A CB    
6   N N     . ASN A 2  ? 0.6414 0.7371 0.7124 0.0181  -0.0341 0.0520  13  ASN A N     
7   C CA    . ASN A 2  ? 0.6406 0.6921 0.7209 0.0203  -0.0444 0.0382  13  ASN A CA    
8   C C     . ASN A 2  ? 0.5083 0.5642 0.5729 0.0088  -0.0273 0.0205  13  ASN A C     
9   O O     . ASN A 2  ? 0.5590 0.5852 0.6210 -0.0020 -0.0338 0.0240  13  ASN A O     
10  C CB    . ASN A 2  ? 0.7419 0.7842 0.8468 0.0470  -0.0543 0.0081  13  ASN A CB    
11  C CG    . ASN A 2  ? 0.9654 0.9847 1.0807 0.0552  -0.0596 -0.0260 13  ASN A CG    
12  O OD1   . ASN A 2  ? 0.9632 0.9423 1.0773 0.0441  -0.0725 -0.0167 13  ASN A OD1   
13  N ND2   . ASN A 2  ? 0.9458 1.0005 1.0721 0.0733  -0.0504 -0.0675 13  ASN A ND2   
14  N N     . LEU A 3  ? 0.4558 0.5461 0.5099 0.0076  -0.0101 0.0049  14  LEU A N     
15  C CA    . LEU A 3  ? 0.4276 0.5204 0.4654 -0.0083 -0.0006 -0.0050 14  LEU A CA    
16  C C     . LEU A 3  ? 0.4489 0.5365 0.4757 -0.0228 -0.0026 0.0144  14  LEU A C     
17  O O     . LEU A 3  ? 0.3958 0.4653 0.4152 -0.0347 -0.0026 0.0117  14  LEU A O     
18  C CB    . LEU A 3  ? 0.4632 0.5901 0.4926 -0.0135 0.0078  -0.0161 14  LEU A CB    
19  C CG    . LEU A 3  ? 0.4673 0.5944 0.4798 -0.0350 0.0095  -0.0211 14  LEU A CG    
20  C CD1   . LEU A 3  ? 0.3492 0.4664 0.3599 -0.0395 0.0131  -0.0375 14  LEU A CD1   
21  C CD2   . LEU A 3  ? 0.4163 0.5741 0.4216 -0.0475 0.0080  -0.0236 14  LEU A CD2   
22  N N     . GLU A 4  ? 0.4144 0.5280 0.4411 -0.0215 -0.0046 0.0301  15  GLU A N     
23  C CA    . GLU A 4  ? 0.4037 0.5344 0.4245 -0.0332 -0.0072 0.0435  15  GLU A CA    
24  C C     . GLU A 4  ? 0.4326 0.5362 0.4541 -0.0463 -0.0143 0.0610  15  GLU A C     
25  O O     . GLU A 4  ? 0.3836 0.4847 0.3986 -0.0592 -0.0139 0.0612  15  GLU A O     
26  C CB    . GLU A 4  ? 0.4862 0.6657 0.5097 -0.0290 -0.0094 0.0558  15  GLU A CB    
27  C CG    . GLU A 4  ? 0.5594 0.7852 0.5794 -0.0351 -0.0104 0.0526  15  GLU A CG    
28  C CD    . GLU A 4  ? 0.6865 0.9801 0.7097 -0.0300 -0.0120 0.0580  15  GLU A CD    
29  O OE1   . GLU A 4  ? 0.7722 1.1016 0.7926 -0.0459 -0.0143 0.0841  15  GLU A OE1   
30  O OE2   . GLU A 4  ? 0.7465 1.0604 0.7745 -0.0134 -0.0137 0.0385  15  GLU A OE2   
31  N N     . GLN A 5  ? 0.4282 0.5095 0.4598 -0.0444 -0.0264 0.0777  16  GLN A N     
32  C CA    . GLN A 5  ? 0.4365 0.4840 0.4713 -0.0608 -0.0430 0.0989  16  GLN A CA    
33  C C     . GLN A 5  ? 0.5070 0.5096 0.5431 -0.0584 -0.0429 0.0748  16  GLN A C     
34  O O     . GLN A 5  ? 0.4894 0.4745 0.5216 -0.0756 -0.0494 0.0847  16  GLN A O     
35  C CB    . GLN A 5  ? 0.5857 0.6077 0.6348 -0.0603 -0.0680 0.1240  16  GLN A CB    
36  C CG    . GLN A 5  ? 0.9455 0.9015 1.0076 -0.0679 -0.0971 0.1333  16  GLN A CG    
37  C CD    . GLN A 5  ? 1.0023 0.9640 1.0535 -0.1032 -0.1057 0.1664  16  GLN A CD    
38  O OE1   . GLN A 5  ? 0.9156 0.9381 0.9543 -0.1253 -0.0998 0.1954  16  GLN A OE1   
39  N NE2   . GLN A 5  ? 0.8519 0.7603 0.9092 -0.1088 -0.1205 0.1597  16  GLN A NE2   
40  N N     . LYS A 6  ? 0.4337 0.4290 0.4745 -0.0396 -0.0351 0.0423  17  LYS A N     
41  C CA    . LYS A 6  ? 0.4566 0.4274 0.4973 -0.0385 -0.0339 0.0155  17  LYS A CA    
42  C C     . LYS A 6  ? 0.4490 0.4325 0.4703 -0.0564 -0.0210 0.0148  17  LYS A C     
43  O O     . LYS A 6  ? 0.4163 0.3749 0.4348 -0.0667 -0.0260 0.0121  17  LYS A O     
44  C CB    . LYS A 6  ? 0.5408 0.5291 0.5886 -0.0192 -0.0261 -0.0201 17  LYS A CB    
45  C CG    . LYS A 6  ? 0.5470 0.5297 0.5953 -0.0178 -0.0250 -0.0536 17  LYS A CG    
46  C CD    . LYS A 6  ? 0.6477 0.5767 0.7138 -0.0122 -0.0508 -0.0568 17  LYS A CD    
47  C CE    . LYS A 6  ? 0.7114 0.6456 0.7872 0.0011  -0.0541 -0.1049 17  LYS A CE    
48  N NZ    . LYS A 6  ? 0.6623 0.5426 0.7467 -0.0032 -0.0772 -0.1069 17  LYS A NZ    
49  N N     . ILE A 7  ? 0.3787 0.3977 0.3894 -0.0590 -0.0097 0.0159  18  ILE A N     
50  C CA    . ILE A 7  ? 0.3806 0.4080 0.3782 -0.0729 -0.0063 0.0140  18  ILE A CA    
51  C C     . ILE A 7  ? 0.3969 0.4230 0.3947 -0.0854 -0.0123 0.0327  18  ILE A C     
52  O O     . ILE A 7  ? 0.3842 0.3962 0.3760 -0.0974 -0.0137 0.0294  18  ILE A O     
53  C CB    . ILE A 7  ? 0.3614 0.4209 0.3556 -0.0692 -0.0053 0.0108  18  ILE A CB    
54  C CG1   . ILE A 7  ? 0.3298 0.3934 0.3197 -0.0684 -0.0023 -0.0033 18  ILE A CG1   
55  C CG2   . ILE A 7  ? 0.3776 0.4459 0.3672 -0.0779 -0.0122 0.0086  18  ILE A CG2   
56  C CD1   . ILE A 7  ? 0.3617 0.4478 0.3525 -0.0651 -0.0093 -0.0034 18  ILE A CD1   
57  N N     . LEU A 8  ? 0.3263 0.3751 0.3302 -0.0866 -0.0168 0.0543  19  LEU A N     
58  C CA    . LEU A 8  ? 0.3834 0.4522 0.3864 -0.1056 -0.0228 0.0762  19  LEU A CA    
59  C C     . LEU A 8  ? 0.4256 0.4440 0.4313 -0.1199 -0.0356 0.0886  19  LEU A C     
60  O O     . LEU A 8  ? 0.4629 0.4879 0.4649 -0.1388 -0.0390 0.0985  19  LEU A O     
61  C CB    . LEU A 8  ? 0.3790 0.4985 0.3855 -0.1095 -0.0261 0.1000  19  LEU A CB    
62  C CG    . LEU A 8  ? 0.3775 0.5585 0.3843 -0.0945 -0.0173 0.0829  19  LEU A CG    
63  C CD1   . LEU A 8  ? 0.4695 0.7077 0.4784 -0.0997 -0.0203 0.1058  19  LEU A CD1   
64  C CD2   . LEU A 8  ? 0.3129 0.5374 0.3194 -0.0972 -0.0161 0.0658  19  LEU A CD2   
65  N N     . GLN A 9  ? 0.4395 0.4097 0.4553 -0.1097 -0.0468 0.0850  20  GLN A N     
66  C CA    . GLN A 9  ? 0.5405 0.4551 0.5642 -0.1185 -0.0670 0.0884  20  GLN A CA    
67  C C     . GLN A 9  ? 0.4741 0.3743 0.4895 -0.1184 -0.0570 0.0599  20  GLN A C     
68  O O     . GLN A 9  ? 0.4717 0.3515 0.4856 -0.1358 -0.0666 0.0683  20  GLN A O     
69  C CB    . GLN A 9  ? 0.5712 0.4397 0.6148 -0.0993 -0.0883 0.0795  20  GLN A CB    
70  C CG    . GLN A 9  ? 0.7290 0.5324 0.7886 -0.0978 -0.1168 0.0671  20  GLN A CG    
71  C CD    . GLN A 9  ? 0.8744 0.6732 0.9374 -0.0734 -0.1056 0.0128  20  GLN A CD    
72  O OE1   . GLN A 9  ? 0.8020 0.6188 0.8735 -0.0483 -0.0985 -0.0159 20  GLN A OE1   
73  N NE2   . GLN A 9  ? 0.7220 0.5061 0.7783 -0.0830 -0.1049 -0.0012 20  GLN A NE2   
74  N N     . VAL A 10 ? 0.4394 0.3544 0.4480 -0.1033 -0.0397 0.0296  21  VAL A N     
75  C CA    . VAL A 10 ? 0.4179 0.3264 0.4160 -0.1079 -0.0325 0.0058  21  VAL A CA    
76  C C     . VAL A 10 ? 0.4133 0.3371 0.3994 -0.1268 -0.0287 0.0187  21  VAL A C     
77  O O     . VAL A 10 ? 0.4311 0.3346 0.4136 -0.1389 -0.0337 0.0159  21  VAL A O     
78  C CB    . VAL A 10 ? 0.4253 0.3604 0.4158 -0.0976 -0.0184 -0.0200 21  VAL A CB    
79  C CG1   . VAL A 10 ? 0.4310 0.3703 0.4061 -0.1107 -0.0132 -0.0370 21  VAL A CG1   
80  C CG2   . VAL A 10 ? 0.4285 0.3598 0.4354 -0.0761 -0.0230 -0.0418 21  VAL A CG2   
81  N N     . LEU A 11 ? 0.3803 0.3435 0.3631 -0.1267 -0.0224 0.0280  22  LEU A N     
82  C CA    . LEU A 11 ? 0.3995 0.3874 0.3780 -0.1383 -0.0231 0.0321  22  LEU A CA    
83  C C     . LEU A 11 ? 0.3821 0.3733 0.3653 -0.1565 -0.0310 0.0546  22  LEU A C     
84  O O     . LEU A 11 ? 0.4471 0.4401 0.4270 -0.1693 -0.0334 0.0533  22  LEU A O     
85  C CB    . LEU A 11 ? 0.4196 0.4564 0.4016 -0.1282 -0.0214 0.0295  22  LEU A CB    
86  C CG    . LEU A 11 ? 0.3544 0.3877 0.3325 -0.1165 -0.0215 0.0120  22  LEU A CG    
87  C CD1   . LEU A 11 ? 0.3107 0.3881 0.2981 -0.1035 -0.0276 0.0059  22  LEU A CD1   
88  C CD2   . LEU A 11 ? 0.3900 0.3986 0.3572 -0.1272 -0.0275 0.0004  22  LEU A CD2   
89  N N     . SER A 12 ? 0.3846 0.3782 0.3753 -0.1617 -0.0385 0.0791  23  SER A N     
90  C CA    . SER A 12 ? 0.4166 0.4235 0.4104 -0.1887 -0.0512 0.1105  23  SER A CA    
91  C C     . SER A 12 ? 0.4532 0.3955 0.4492 -0.2008 -0.0668 0.1125  23  SER A C     
92  O O     . SER A 12 ? 0.4957 0.4472 0.4902 -0.2243 -0.0735 0.1266  23  SER A O     
93  C CB    . SER A 12 ? 0.4813 0.5069 0.4810 -0.1976 -0.0622 0.1433  23  SER A CB    
94  O OG    . SER A 12 ? 0.4228 0.5224 0.4206 -0.1888 -0.0484 0.1401  23  SER A OG    
95  N N     . ASP A 13 ? 0.4807 0.3640 0.4831 -0.1839 -0.0751 0.0948  24  ASP A N     
96  C CA    . ASP A 13 ? 0.5100 0.3339 0.5184 -0.1888 -0.0934 0.0850  24  ASP A CA    
97  C C     . ASP A 13 ? 0.5082 0.3388 0.5039 -0.1922 -0.0794 0.0623  24  ASP A C     
98  O O     . ASP A 13 ? 0.5857 0.3898 0.5827 -0.2087 -0.0927 0.0665  24  ASP A O     
99  C CB    . ASP A 13 ? 0.5801 0.3564 0.6030 -0.1623 -0.1063 0.0566  24  ASP A CB    
100 C CG    . ASP A 13 ? 0.7245 0.4755 0.7656 -0.1598 -0.1330 0.0807  24  ASP A CG    
101 O OD1   . ASP A 13 ? 0.7261 0.4805 0.7681 -0.1885 -0.1509 0.1267  24  ASP A OD1   
102 O OD2   . ASP A 13 ? 0.6832 0.4148 0.7386 -0.1314 -0.1397 0.0540  24  ASP A OD2   
103 N N     . ASP A 14 ? 0.5399 0.4022 0.5238 -0.1794 -0.0574 0.0408  25  ASP A N     
104 C CA    . ASP A 14 ? 0.5790 0.4478 0.5500 -0.1860 -0.0495 0.0245  25  ASP A CA    
105 C C     . ASP A 14 ? 0.5809 0.4805 0.5511 -0.2047 -0.0511 0.0432  25  ASP A C     
106 O O     . ASP A 14 ? 0.6216 0.5085 0.5887 -0.2168 -0.0561 0.0409  25  ASP A O     
107 C CB    . ASP A 14 ? 0.4722 0.3646 0.4322 -0.1741 -0.0357 0.0056  25  ASP A CB    
108 C CG    . ASP A 14 ? 0.5932 0.4841 0.5389 -0.1845 -0.0349 -0.0085 25  ASP A CG    
109 O OD1   . ASP A 14 ? 0.4939 0.3979 0.4387 -0.1944 -0.0391 -0.0006 25  ASP A OD1   
110 O OD2   . ASP A 14 ? 0.5807 0.4648 0.5171 -0.1838 -0.0319 -0.0284 25  ASP A OD2   
111 N N     . GLY A 15 ? 0.3379 0.5152 0.5722 -0.1399 0.0065  0.0824  26  GLY A N     
112 C CA    . GLY A 15 ? 0.2696 0.4941 0.5192 -0.1447 0.0062  0.0982  26  GLY A CA    
113 C C     . GLY A 15 ? 0.3612 0.6146 0.5977 -0.1354 0.0013  0.0879  26  GLY A C     
114 O O     . GLY A 15 ? 0.3350 0.6348 0.5826 -0.1333 0.0016  0.1002  26  GLY A O     
115 N N     . GLY A 16 ? 0.2832 0.5140 0.4968 -0.1276 -0.0026 0.0685  27  GLY A N     
116 C CA    . GLY A 16 ? 0.2362 0.4887 0.4378 -0.1172 -0.0073 0.0633  27  GLY A CA    
117 C C     . GLY A 16 ? 0.2306 0.4596 0.4060 -0.0986 -0.0039 0.0549  27  GLY A C     
118 O O     . GLY A 16 ? 0.3006 0.5081 0.4687 -0.0940 0.0020  0.0530  27  GLY A O     
119 N N     . PRO A 17 ? 0.3512 0.5862 0.5137 -0.0880 -0.0078 0.0519  28  PRO A N     
120 C CA    . PRO A 17 ? 0.2772 0.4838 0.4172 -0.0753 -0.0053 0.0457  28  PRO A CA    
121 C C     . PRO A 17 ? 0.3727 0.5512 0.5019 -0.0867 -0.0060 0.0351  28  PRO A C     
122 O O     . PRO A 17 ? 0.2580 0.4406 0.3887 -0.0984 -0.0119 0.0292  28  PRO A O     
123 C CB    . PRO A 17 ? 0.3210 0.5397 0.4539 -0.0635 -0.0102 0.0504  28  PRO A CB    
124 C CG    . PRO A 17 ? 0.3553 0.6194 0.5072 -0.0654 -0.0143 0.0586  28  PRO A CG    
125 C CD    . PRO A 17 ? 0.3106 0.5796 0.4797 -0.0887 -0.0152 0.0559  28  PRO A CD    
126 N N     . VAL A 18 ? 0.2404 0.3970 0.3587 -0.0829 -0.0005 0.0306  29  VAL A N     
127 C CA    . VAL A 18 ? 0.2389 0.3777 0.3472 -0.0907 0.0002  0.0213  29  VAL A CA    
128 C C     . VAL A 18 ? 0.2787 0.4036 0.3694 -0.0871 0.0018  0.0201  29  VAL A C     
129 O O     . VAL A 18 ? 0.2480 0.3653 0.3357 -0.0801 0.0054  0.0207  29  VAL A O     
130 C CB    . VAL A 18 ? 0.2335 0.3665 0.3490 -0.0918 0.0056  0.0194  29  VAL A CB    
131 C CG1   . VAL A 18 ? 0.2411 0.3624 0.3462 -0.0953 0.0066  0.0088  29  VAL A CG1   
132 C CG2   . VAL A 18 ? 0.2953 0.4351 0.4318 -0.0978 0.0047  0.0258  29  VAL A CG2   
133 N N     . LYS A 19 ? 0.2536 0.3771 0.3331 -0.0933 -0.0008 0.0180  30  LYS A N     
134 C CA    . LYS A 19 ? 0.2655 0.3763 0.3308 -0.0946 0.0012  0.0218  30  LYS A CA    
135 C C     . LYS A 19 ? 0.2609 0.3670 0.3230 -0.0999 0.0066  0.0143  30  LYS A C     
136 O O     . LYS A 19 ? 0.2980 0.4134 0.3644 -0.1010 0.0084  0.0066  30  LYS A O     
137 C CB    . LYS A 19 ? 0.3137 0.4357 0.3677 -0.0996 -0.0024 0.0269  30  LYS A CB    
138 C CG    . LYS A 19 ? 0.3716 0.5096 0.4265 -0.0941 -0.0088 0.0358  30  LYS A CG    
139 C CD    . LYS A 19 ? 0.4322 0.5537 0.4852 -0.0828 -0.0086 0.0517  30  LYS A CD    
140 C CE    . LYS A 19 ? 0.5789 0.7248 0.6399 -0.0718 -0.0144 0.0587  30  LYS A CE    
141 N NZ    . LYS A 19 ? 0.5395 0.6698 0.5999 -0.0538 -0.0140 0.0736  30  LYS A NZ    
142 N N     . ILE A 20 ? 0.2964 0.3881 0.3520 -0.1033 0.0089  0.0165  31  ILE A N     
143 C CA    . ILE A 20 ? 0.2738 0.3706 0.3277 -0.1108 0.0132  0.0088  31  ILE A CA    
144 C C     . ILE A 20 ? 0.2857 0.4038 0.3349 -0.1168 0.0146  0.0067  31  ILE A C     
145 O O     . ILE A 20 ? 0.3640 0.4982 0.4165 -0.1149 0.0179  -0.0009 31  ILE A O     
146 C CB    . ILE A 20 ? 0.2934 0.3689 0.3423 -0.1194 0.0140  0.0097  31  ILE A CB    
147 C CG1   . ILE A 20 ? 0.4285 0.5187 0.4778 -0.1299 0.0173  -0.0007 31  ILE A CG1   
148 C CG2   . ILE A 20 ? 0.3236 0.3869 0.3646 -0.1279 0.0125  0.0246  31  ILE A CG2   
149 C CD1   . ILE A 20 ? 0.4415 0.5473 0.4975 -0.1194 0.0189  -0.0113 31  ILE A CD1   
150 N N     . GLY A 21 ? 0.2749 0.3992 0.3161 -0.1206 0.0122  0.0135  32  GLY A N     
151 C CA    . GLY A 21 ? 0.2859 0.4379 0.3210 -0.1232 0.0138  0.0082  32  GLY A CA    
152 C C     . GLY A 21 ? 0.3581 0.5164 0.3998 -0.1128 0.0133  -0.0063 32  GLY A C     
153 O O     . GLY A 21 ? 0.3168 0.4931 0.3569 -0.1091 0.0165  -0.0158 32  GLY A O     
154 N N     . GLN A 22 ? 0.2634 0.4070 0.3144 -0.1079 0.0094  -0.0074 33  GLN A N     
155 C CA    . GLN A 22 ? 0.3061 0.4461 0.3671 -0.1018 0.0085  -0.0190 33  GLN A CA    
156 C C     . GLN A 22 ? 0.3550 0.4896 0.4252 -0.0949 0.0141  -0.0184 33  GLN A C     
157 O O     . GLN A 22 ? 0.3031 0.4364 0.3784 -0.0870 0.0162  -0.0264 33  GLN A O     
158 C CB    . GLN A 22 ? 0.2807 0.4121 0.3522 -0.1035 0.0027  -0.0173 33  GLN A CB    
159 C CG    . GLN A 22 ? 0.2978 0.4446 0.3602 -0.1081 -0.0037 -0.0158 33  GLN A CG    
160 C CD    . GLN A 22 ? 0.3055 0.4547 0.3808 -0.1107 -0.0101 -0.0149 33  GLN A CD    
161 O OE1   . GLN A 22 ? 0.3364 0.4797 0.4216 -0.1080 -0.0091 -0.0034 33  GLN A OE1   
162 N NE2   . GLN A 22 ? 0.3407 0.5065 0.4152 -0.1163 -0.0172 -0.0277 33  GLN A NE2   
163 N N     . LEU A 23 ? 0.2664 0.3995 0.3384 -0.0956 0.0164  -0.0095 34  LEU A N     
164 C CA    . LEU A 23 ? 0.2467 0.3882 0.3248 -0.0886 0.0215  -0.0080 34  LEU A CA    
165 C C     . LEU A 23 ? 0.3286 0.4921 0.3997 -0.0877 0.0253  -0.0134 34  LEU A C     
166 O O     . LEU A 23 ? 0.3494 0.5247 0.4263 -0.0764 0.0291  -0.0137 34  LEU A O     
167 C CB    . LEU A 23 ? 0.2890 0.4318 0.3681 -0.0895 0.0222  -0.0029 34  LEU A CB    
168 C CG    . LEU A 23 ? 0.3279 0.4635 0.4174 -0.0848 0.0206  0.0044  34  LEU A CG    
169 C CD1   . LEU A 23 ? 0.3475 0.4840 0.4330 -0.0838 0.0205  0.0037  34  LEU A CD1   
170 C CD2   . LEU A 23 ? 0.3167 0.4620 0.4192 -0.0760 0.0244  0.0118  34  LEU A CD2   
171 N N     . VAL A 24 ? 0.2888 0.4626 0.3487 -0.0988 0.0249  -0.0147 35  VAL A N     
172 C CA    . VAL A 24 ? 0.2668 0.4726 0.3217 -0.0998 0.0288  -0.0185 35  VAL A CA    
173 C C     . VAL A 24 ? 0.3249 0.5394 0.3810 -0.0839 0.0305  -0.0275 35  VAL A C     
174 O O     . VAL A 24 ? 0.2746 0.5124 0.3339 -0.0720 0.0349  -0.0302 35  VAL A O     
175 C CB    . VAL A 24 ? 0.2847 0.5009 0.3289 -0.1171 0.0283  -0.0137 35  VAL A CB    
176 C CG1   . VAL A 24 ? 0.3203 0.5804 0.3600 -0.1175 0.0327  -0.0169 35  VAL A CG1   
177 C CG2   . VAL A 24 ? 0.3496 0.5522 0.3947 -0.1322 0.0274  -0.0079 35  VAL A CG2   
178 N N     . LYS A 25 ? 0.3230 0.5203 0.3769 -0.0820 0.0267  -0.0340 36  LYS A N     
179 C CA    . LYS A 25 ? 0.3529 0.5526 0.4071 -0.0669 0.0275  -0.0491 36  LYS A CA    
180 C C     . LYS A 25 ? 0.3884 0.5665 0.4575 -0.0511 0.0298  -0.0484 36  LYS A C     
181 O O     . LYS A 25 ? 0.3885 0.5755 0.4594 -0.0329 0.0338  -0.0558 36  LYS A O     
182 C CB    . LYS A 25 ? 0.3511 0.5374 0.4011 -0.0709 0.0211  -0.0602 36  LYS A CB    
183 C CG    . LYS A 25 ? 0.4252 0.6458 0.4586 -0.0771 0.0204  -0.0638 36  LYS A CG    
184 C CD    . LYS A 25 ? 0.4119 0.6316 0.4403 -0.0750 0.0141  -0.0826 36  LYS A CD    
185 C CE    . LYS A 25 ? 0.4774 0.7192 0.4936 -0.0884 0.0100  -0.0715 36  LYS A CE    
186 N NZ    . LYS A 25 ? 0.6786 0.9697 0.6776 -0.0849 0.0119  -0.0795 36  LYS A NZ    
187 N N     . LYS A 26 ? 0.3114 0.4640 0.3917 -0.0558 0.0279  -0.0370 37  LYS A N     
188 C CA    . LYS A 26 ? 0.3774 0.5093 0.4735 -0.0428 0.0303  -0.0296 37  LYS A CA    
189 C C     . LYS A 26 ? 0.4256 0.5858 0.5239 -0.0314 0.0364  -0.0173 37  LYS A C     
190 O O     . LYS A 26 ? 0.4743 0.6315 0.5815 -0.0123 0.0404  -0.0122 37  LYS A O     
191 C CB    . LYS A 26 ? 0.3606 0.4677 0.4687 -0.0535 0.0268  -0.0187 37  LYS A CB    
192 C CG    . LYS A 26 ? 0.4683 0.5533 0.5785 -0.0651 0.0197  -0.0306 37  LYS A CG    
193 C CD    . LYS A 26 ? 0.5737 0.6331 0.6896 -0.0568 0.0184  -0.0482 37  LYS A CD    
194 C CE    . LYS A 26 ? 0.6405 0.6725 0.7687 -0.0719 0.0109  -0.0560 37  LYS A CE    
195 N NZ    . LYS A 26 ? 0.8260 0.8263 0.9786 -0.0740 0.0124  -0.0392 37  LYS A NZ    
196 N N     . CYS A 27 ? 0.3422 0.5303 0.4330 -0.0424 0.0367  -0.0129 38  CYS A N     
197 C CA    . CYS A 27 ? 0.3136 0.5367 0.4065 -0.0352 0.0408  -0.0041 38  CYS A CA    
198 C C     . CYS A 27 ? 0.3590 0.6255 0.4445 -0.0326 0.0436  -0.0111 38  CYS A C     
199 O O     . CYS A 27 ? 0.3269 0.6317 0.4153 -0.0246 0.0466  -0.0051 38  CYS A O     
200 C CB    . CYS A 27 ? 0.3237 0.5547 0.4147 -0.0490 0.0389  0.0002  38  CYS A CB    
201 S SG    . CYS A 27 ? 0.3382 0.5360 0.4386 -0.0509 0.0365  0.0102  38  CYS A SG    
202 N N     . GLN A 28 ? 0.3285 0.5995 0.4048 -0.0399 0.0428  -0.0221 39  GLN A N     
203 C CA    . GLN A 28 ? 0.2640 0.5848 0.3351 -0.0362 0.0465  -0.0272 39  GLN A CA    
204 C C     . GLN A 28 ? 0.3575 0.7214 0.4280 -0.0527 0.0470  -0.0229 39  GLN A C     
205 O O     . GLN A 28 ? 0.3287 0.7461 0.4011 -0.0457 0.0504  -0.0229 39  GLN A O     
206 C CB    . GLN A 28 ? 0.3555 0.6876 0.4328 -0.0044 0.0512  -0.0287 39  GLN A CB    
207 C CG    . GLN A 28 ? 0.3894 0.6652 0.4709 0.0087  0.0495  -0.0356 39  GLN A CG    
208 C CD    . GLN A 28 ? 0.5714 0.8447 0.6588 0.0421  0.0539  -0.0412 39  GLN A CD    
209 O OE1   . GLN A 28 ? 0.6109 0.9182 0.7037 0.0621  0.0587  -0.0313 39  GLN A OE1   
210 N NE2   . GLN A 28 ? 0.4971 0.7303 0.5836 0.0498  0.0518  -0.0588 39  GLN A NE2   
211 N N     . VAL A 29 ? 0.2716 0.6144 0.3402 -0.0744 0.0430  -0.0213 40  VAL A N     
212 C CA    . VAL A 29 ? 0.2752 0.6468 0.3427 -0.0971 0.0417  -0.0232 40  VAL A CA    
213 C C     . VAL A 29 ? 0.3654 0.7040 0.4264 -0.1225 0.0383  -0.0232 40  VAL A C     
214 O O     . VAL A 29 ? 0.2952 0.5914 0.3528 -0.1196 0.0362  -0.0206 40  VAL A O     
215 C CB    . VAL A 29 ? 0.3596 0.7389 0.4323 -0.0940 0.0403  -0.0234 40  VAL A CB    
216 C CG1   . VAL A 29 ? 0.3594 0.7684 0.4391 -0.0653 0.0441  -0.0159 40  VAL A CG1   
217 C CG2   . VAL A 29 ? 0.2861 0.6128 0.3582 -0.0951 0.0371  -0.0221 40  VAL A CG2   
218 N N     . PRO A 30 ? 0.3288 0.6867 0.3894 -0.1481 0.0374  -0.0247 41  PRO A N     
219 C CA    . PRO A 30 ? 0.4030 0.7248 0.4590 -0.1717 0.0348  -0.0196 41  PRO A CA    
220 C C     . PRO A 30 ? 0.3898 0.6564 0.4452 -0.1716 0.0306  -0.0221 41  PRO A C     
221 O O     . PRO A 30 ? 0.4075 0.6721 0.4663 -0.1604 0.0295  -0.0300 41  PRO A O     
222 C CB    . PRO A 30 ? 0.3038 0.6593 0.3641 -0.2009 0.0349  -0.0211 41  PRO A CB    
223 C CG    . PRO A 30 ? 0.4169 0.8356 0.4786 -0.1861 0.0375  -0.0251 41  PRO A CG    
224 C CD    . PRO A 30 ? 0.3323 0.7489 0.3984 -0.1582 0.0386  -0.0295 41  PRO A CD    
225 N N     . LYS A 31 ? 0.3670 0.4634 0.4092 -0.1834 0.0141  -0.0201 42  LYS A N     
226 C CA    . LYS A 31 ? 0.4633 0.5239 0.4623 -0.1804 0.0085  -0.0119 42  LYS A CA    
227 C C     . LYS A 31 ? 0.4071 0.4451 0.3997 -0.1888 -0.0050 -0.0124 42  LYS A C     
228 O O     . LYS A 31 ? 0.4380 0.4531 0.4059 -0.1808 -0.0140 -0.0116 42  LYS A O     
229 C CB    . LYS A 31 ? 0.4960 0.5500 0.4702 -0.1848 0.0253  0.0009  42  LYS A CB    
230 C CG    . LYS A 31 ? 0.5873 0.6089 0.5291 -0.1761 0.0233  0.0150  42  LYS A CG    
231 N N     . LYS A 32 ? 0.4343 0.4810 0.4480 -0.2084 -0.0046 -0.0168 43  LYS A N     
232 C CA    . LYS A 32 ? 0.3930 0.4219 0.3965 -0.2247 -0.0161 -0.0263 43  LYS A CA    
233 C C     . LYS A 32 ? 0.4773 0.5296 0.4813 -0.2178 -0.0412 -0.0300 43  LYS A C     
234 O O     . LYS A 32 ? 0.4641 0.4943 0.4353 -0.2215 -0.0498 -0.0367 43  LYS A O     
235 C CB    . LYS A 32 ? 0.4077 0.4529 0.4414 -0.2535 -0.0120 -0.0346 43  LYS A CB    
236 C CG    . LYS A 32 ? 0.4461 0.4755 0.4671 -0.2683 -0.0216 -0.0518 43  LYS A CG    
237 C CD    . LYS A 32 ? 0.4740 0.5265 0.5315 -0.2888 -0.0188 -0.0606 43  LYS A CD    
238 C CE    . LYS A 32 ? 0.5275 0.5226 0.5719 -0.3054 0.0046  -0.0696 43  LYS A CE    
239 N NZ    . LYS A 32 ? 0.5530 0.5649 0.6387 -0.3259 0.0145  -0.0724 43  LYS A NZ    
240 N N     . THR A 33 ? 0.3558 0.4540 0.3987 -0.2071 -0.0500 -0.0235 44  THR A N     
241 C CA    . THR A 33 ? 0.3775 0.5029 0.4273 -0.1956 -0.0721 -0.0156 44  THR A CA    
242 C C     . THR A 33 ? 0.4575 0.5490 0.4722 -0.1757 -0.0705 -0.0095 44  THR A C     
243 O O     . THR A 33 ? 0.3628 0.4555 0.3541 -0.1737 -0.0858 -0.0052 44  THR A O     
244 C CB    . THR A 33 ? 0.4026 0.5782 0.5134 -0.1817 -0.0734 -0.0037 44  THR A CB    
245 O OG1   . THR A 33 ? 0.3378 0.5465 0.4850 -0.2012 -0.0697 -0.0097 44  THR A OG1   
246 C CG2   . THR A 33 ? 0.3698 0.5841 0.4982 -0.1688 -0.0970 0.0153  44  THR A CG2   
247 N N     . LEU A 34 ? 0.3918 0.4599 0.4018 -0.1636 -0.0522 -0.0093 45  LEU A N     
248 C CA    . LEU A 34 ? 0.3986 0.4388 0.3795 -0.1494 -0.0492 -0.0053 45  LEU A CA    
249 C C     . LEU A 34 ? 0.4626 0.4694 0.3985 -0.1563 -0.0498 -0.0088 45  LEU A C     
250 O O     . LEU A 34 ? 0.4944 0.4901 0.4067 -0.1495 -0.0559 -0.0052 45  LEU A O     
251 C CB    . LEU A 34 ? 0.3623 0.3964 0.3458 -0.1432 -0.0311 -0.0087 45  LEU A CB    
252 C CG    . LEU A 34 ? 0.4653 0.5187 0.4889 -0.1337 -0.0228 -0.0118 45  LEU A CG    
253 C CD1   . LEU A 34 ? 0.4179 0.4723 0.4359 -0.1370 -0.0040 -0.0247 45  LEU A CD1   
254 C CD2   . LEU A 34 ? 0.5112 0.5566 0.5428 -0.1193 -0.0288 -0.0018 45  LEU A CD2   
255 N N     . ASN A 35 ? 0.4267 0.4144 0.3528 -0.1692 -0.0389 -0.0148 46  ASN A N     
256 C CA    . ASN A 35 ? 0.4141 0.3602 0.3055 -0.1718 -0.0298 -0.0183 46  ASN A CA    
257 C C     . ASN A 35 ? 0.4894 0.4317 0.3599 -0.1864 -0.0412 -0.0328 46  ASN A C     
258 O O     . ASN A 35 ? 0.5092 0.4222 0.3470 -0.1826 -0.0347 -0.0376 46  ASN A O     
259 C CB    . ASN A 35 ? 0.4712 0.3925 0.3651 -0.1802 -0.0099 -0.0158 46  ASN A CB    
260 C CG    . ASN A 35 ? 0.4716 0.3942 0.3647 -0.1627 0.0024  0.0036  46  ASN A CG    
261 O OD1   . ASN A 35 ? 0.4911 0.4166 0.3732 -0.1467 0.0000  0.0103  46  ASN A OD1   
262 N ND2   . ASN A 35 ? 0.4417 0.3701 0.3463 -0.1679 0.0151  0.0141  46  ASN A ND2   
263 N N     . GLN A 36 ? 0.4266 0.4051 0.3153 -0.2043 -0.0575 -0.0406 47  GLN A N     
264 C CA    . GLN A 36 ? 0.4619 0.4551 0.3252 -0.2220 -0.0738 -0.0547 47  GLN A CA    
265 C C     . GLN A 36 ? 0.4981 0.4991 0.3364 -0.2028 -0.0834 -0.0417 47  GLN A C     
266 O O     . GLN A 36 ? 0.5613 0.5442 0.3553 -0.2102 -0.0812 -0.0540 47  GLN A O     
267 C CB    . GLN A 36 ? 0.4626 0.5169 0.3597 -0.2387 -0.0951 -0.0562 47  GLN A CB    
268 C CG    . GLN A 36 ? 0.5576 0.6029 0.4773 -0.2575 -0.0810 -0.0718 47  GLN A CG    
269 C CD    . GLN A 36 ? 0.5223 0.6330 0.4927 -0.2644 -0.0971 -0.0661 47  GLN A CD    
270 O OE1   . GLN A 36 ? 0.4646 0.6244 0.4654 -0.2507 -0.1138 -0.0458 47  GLN A OE1   
271 N NE2   . GLN A 36 ? 0.5027 0.6151 0.4880 -0.2862 -0.0906 -0.0828 47  GLN A NE2   
272 N N     . VAL A 37 ? 0.4438 0.4685 0.3107 -0.1795 -0.0896 -0.0181 48  VAL A N     
273 C CA    . VAL A 37 ? 0.4712 0.5016 0.3214 -0.1620 -0.0953 -0.0008 48  VAL A CA    
274 C C     . VAL A 37 ? 0.5060 0.4894 0.3292 -0.1501 -0.0747 -0.0027 48  VAL A C     
275 O O     . VAL A 37 ? 0.5112 0.4853 0.2983 -0.1476 -0.0729 -0.0013 48  VAL A O     
276 C CB    . VAL A 37 ? 0.5121 0.5733 0.4104 -0.1414 -0.1013 0.0248  48  VAL A CB    
277 C CG1   . VAL A 37 ? 0.5253 0.5892 0.4092 -0.1250 -0.1043 0.0476  48  VAL A CG1   
278 C CG2   . VAL A 37 ? 0.3928 0.5094 0.3297 -0.1485 -0.1202 0.0322  48  VAL A CG2   
279 N N     . LEU A 38 ? 0.4590 0.4210 0.3001 -0.1432 -0.0589 -0.0037 49  LEU A N     
280 C CA    . LEU A 38 ? 0.4492 0.3826 0.2765 -0.1303 -0.0417 0.0001  49  LEU A CA    
281 C C     . LEU A 38 ? 0.4850 0.3847 0.2748 -0.1356 -0.0289 -0.0120 49  LEU A C     
282 O O     . LEU A 38 ? 0.5441 0.4316 0.3140 -0.1255 -0.0197 -0.0079 49  LEU A O     
283 C CB    . LEU A 38 ? 0.4293 0.3616 0.2794 -0.1264 -0.0312 0.0028  49  LEU A CB    
284 C CG    . LEU A 38 ? 0.4027 0.3611 0.2844 -0.1202 -0.0342 0.0082  49  LEU A CG    
285 C CD1   . LEU A 38 ? 0.3910 0.3583 0.2849 -0.1237 -0.0253 0.0061  49  LEU A CD1   
286 C CD2   . LEU A 38 ? 0.4044 0.3614 0.2856 -0.1092 -0.0300 0.0158  49  LEU A CD2   
287 N N     . TYR A 39 ? 0.5180 0.4000 0.3008 -0.1530 -0.0238 -0.0290 50  TYR A N     
288 C CA    . TYR A 39 ? 0.5118 0.3518 0.2623 -0.1598 -0.0038 -0.0467 50  TYR A CA    
289 C C     . TYR A 39 ? 0.6371 0.4882 0.3463 -0.1718 -0.0128 -0.0614 50  TYR A C     
290 O O     . TYR A 39 ? 0.6883 0.5087 0.3654 -0.1702 0.0075  -0.0736 50  TYR A O     
291 C CB    . TYR A 39 ? 0.5690 0.3796 0.3275 -0.1793 0.0094  -0.0636 50  TYR A CB    
292 C CG    . TYR A 39 ? 0.5684 0.3558 0.3539 -0.1615 0.0298  -0.0430 50  TYR A CG    
293 C CD1   . TYR A 39 ? 0.6160 0.3615 0.3975 -0.1444 0.0587  -0.0361 50  TYR A CD1   
294 C CD2   . TYR A 39 ? 0.5540 0.3692 0.3697 -0.1594 0.0211  -0.0264 50  TYR A CD2   
295 C CE1   . TYR A 39 ? 0.5756 0.3136 0.3843 -0.1251 0.0744  -0.0076 50  TYR A CE1   
296 C CE2   . TYR A 39 ? 0.5384 0.3450 0.3718 -0.1442 0.0373  -0.0028 50  TYR A CE2   
297 C CZ    . TYR A 39 ? 0.5876 0.3593 0.4183 -0.1263 0.0617  0.0099  50  TYR A CZ    
298 O OH    . TYR A 39 ? 0.6206 0.3964 0.4719 -0.1085 0.0752  0.0426  50  TYR A OH    
299 N N     . ARG A 40 ? 0.5422 0.4418 0.2521 -0.1830 -0.0411 -0.0582 51  ARG A N     
300 C CA    . ARG A 40 ? 0.5914 0.5162 0.2579 -0.1922 -0.0528 -0.0628 51  ARG A CA    
301 C C     . ARG A 40 ? 0.6214 0.5484 0.2807 -0.1665 -0.0477 -0.0369 51  ARG A C     
302 O O     . ARG A 40 ? 0.6712 0.5885 0.2861 -0.1681 -0.0360 -0.0442 51  ARG A O     
303 C CB    . ARG A 40 ? 0.6587 0.6478 0.3351 -0.2082 -0.0865 -0.0568 51  ARG A CB    
304 C CG    . ARG A 40 ? 0.7598 0.7955 0.4118 -0.2032 -0.1018 -0.0401 51  ARG A CG    
305 C CD    . ARG A 40 ? 0.7437 0.8500 0.4275 -0.2084 -0.1317 -0.0245 51  ARG A CD    
306 N NE    . ARG A 40 ? 0.9058 1.0390 0.6342 -0.1877 -0.1467 0.0142  51  ARG A NE    
307 C CZ    . ARG A 40 ? 0.9795 1.1404 0.7116 -0.1663 -0.1559 0.0538  51  ARG A CZ    
308 N NH1   . ARG A 40 ? 0.9387 1.1041 0.6286 -0.1619 -0.1513 0.0607  51  ARG A NH1   
309 N NH2   . ARG A 40 ? 0.9071 1.0812 0.7015 -0.1421 -0.1583 0.0856  51  ARG A NH2   
310 N N     . LEU A 41 ? 0.5407 0.4784 0.2437 -0.1454 -0.0520 -0.0099 52  LEU A N     
311 C CA    . LEU A 41 ? 0.5682 0.5017 0.2734 -0.1250 -0.0419 0.0118  52  LEU A CA    
312 C C     . LEU A 41 ? 0.6433 0.5379 0.3341 -0.1175 -0.0138 0.0017  52  LEU A C     
313 O O     . LEU A 41 ? 0.6851 0.5762 0.3549 -0.1095 -0.0012 0.0092  52  LEU A O     
314 C CB    . LEU A 41 ? 0.5564 0.5018 0.3148 -0.1106 -0.0461 0.0320  52  LEU A CB    
315 C CG    . LEU A 41 ? 0.5121 0.4942 0.2988 -0.1083 -0.0661 0.0508  52  LEU A CG    
316 C CD1   . LEU A 41 ? 0.4754 0.4550 0.3160 -0.0962 -0.0592 0.0601  52  LEU A CD1   
317 C CD2   . LEU A 41 ? 0.6177 0.6198 0.3804 -0.1027 -0.0722 0.0748  52  LEU A CD2   
318 N N     . LYS A 42 ? 0.5867 0.4550 0.2927 -0.1181 -0.0013 -0.0107 53  LYS A N     
319 C CA    . LYS A 42 ? 0.6309 0.4659 0.3332 -0.1064 0.0276  -0.0141 53  LYS A CA    
320 C C     . LYS A 42 ? 0.7208 0.5309 0.3747 -0.1155 0.0459  -0.0368 53  LYS A C     
321 O O     . LYS A 42 ? 0.7913 0.5924 0.4336 -0.1027 0.0669  -0.0325 53  LYS A O     
322 C CB    . LYS A 42 ? 0.6457 0.4587 0.3747 -0.1041 0.0384  -0.0158 53  LYS A CB    
323 C CG    . LYS A 42 ? 0.7530 0.5418 0.4964 -0.0835 0.0680  -0.0055 53  LYS A CG    
324 C CD    . LYS A 42 ? 0.7850 0.5467 0.5506 -0.0813 0.0825  -0.0023 53  LYS A CD    
325 C CE    . LYS A 42 ? 0.8706 0.6190 0.6624 -0.0540 0.1111  0.0201  53  LYS A CE    
326 N NZ    . LYS A 42 ? 1.0033 0.7202 0.7773 -0.0456 0.1403  0.0070  53  LYS A NZ    
327 N N     . LYS A 43 ? 0.7398 0.5428 0.3647 -0.1408 0.0399  -0.0643 54  LYS A N     
328 C CA    . LYS A 43 ? 0.7948 0.5801 0.3640 -0.1580 0.0566  -0.0952 54  LYS A CA    
329 C C     . LYS A 43 ? 0.8604 0.6779 0.3947 -0.1524 0.0515  -0.0810 54  LYS A C     
330 O O     . LYS A 43 ? 0.9271 0.7249 0.4227 -0.1529 0.0790  -0.0972 54  LYS A O     
331 C CB    . LYS A 43 ? 0.8073 0.6036 0.3507 -0.1945 0.0399  -0.1268 54  LYS A CB    
332 C CG    . LYS A 43 ? 1.0017 0.7568 0.5185 -0.2150 0.0706  -0.1705 54  LYS A CG    
333 C CD    . LYS A 43 ? 1.2233 0.9139 0.7712 -0.2176 0.0990  -0.1860 54  LYS A CD    
334 C CE    . LYS A 43 ? 1.2829 0.9997 0.8666 -0.2345 0.0715  -0.1817 54  LYS A CE    
335 N NZ    . LYS A 43 ? 1.2601 0.9248 0.8861 -0.2257 0.0938  -0.1736 54  LYS A NZ    
336 N N     . GLU A 44 ? 0.8721 0.6080 0.3305 -0.0825 0.1203  -0.0347 55  GLU A N     
337 C CA    . GLU A 44 ? 0.9072 0.6510 0.3411 -0.0868 0.1323  -0.0142 55  GLU A CA    
338 C C     . GLU A 44 ? 0.9025 0.6936 0.4101 -0.0680 0.1697  0.0036  55  GLU A C     
339 O O     . GLU A 44 ? 0.8576 0.6587 0.3568 -0.0736 0.1831  0.0244  55  GLU A O     
340 C CB    . GLU A 44 ? 0.9013 0.6686 0.3485 -0.1078 0.0847  0.0039  55  GLU A CB    
341 C CG    . GLU A 44 ? 1.0681 0.7955 0.4222 -0.1311 0.0515  -0.0018 55  GLU A CG    
342 C CD    . GLU A 44 ? 1.0286 0.7928 0.4279 -0.1458 -0.0024 0.0119  55  GLU A CD    
343 O OE1   . GLU A 44 ? 1.0068 0.8147 0.4875 -0.1372 -0.0082 0.0322  55  GLU A OE1   
344 O OE2   . GLU A 44 ? 1.1725 0.9264 0.5419 -0.1633 -0.0367 0.0025  55  GLU A OE2   
345 N N     . ASP A 45 ? 0.8158 0.6375 0.3947 -0.0481 0.1855  -0.0015 56  ASP A N     
346 C CA    . ASP A 45 ? 0.8076 0.6900 0.4729 -0.0348 0.2129  0.0165  56  ASP A CA    
347 C C     . ASP A 45 ? 0.7908 0.7153 0.5122 -0.0551 0.1888  0.0367  56  ASP A C     
348 O O     . ASP A 45 ? 0.7193 0.6776 0.4803 -0.0578 0.2126  0.0556  56  ASP A O     
349 C CB    . ASP A 45 ? 0.7993 0.6715 0.4329 -0.0181 0.2706  0.0228  56  ASP A CB    
350 C CG    . ASP A 45 ? 0.9906 0.7988 0.5476 0.0028  0.3004  -0.0003 56  ASP A CG    
351 O OD1   . ASP A 45 ? 1.1010 0.8604 0.5766 0.0002  0.3148  -0.0072 56  ASP A OD1   
352 O OD2   . ASP A 45 ? 1.0930 0.9027 0.6847 0.0220  0.2993  -0.0113 56  ASP A OD2   
353 N N     . ARG A 46 ? 0.6074 0.5274 0.3346 -0.0697 0.1441  0.0329  57  ARG A N     
354 C CA    . ARG A 46 ? 0.6385 0.5857 0.4174 -0.0851 0.1226  0.0488  57  ARG A CA    
355 C C     . ARG A 46 ? 0.5593 0.5480 0.4208 -0.0848 0.1061  0.0425  57  ARG A C     
356 O O     . ARG A 46 ? 0.5350 0.5470 0.4466 -0.0975 0.0999  0.0530  57  ARG A O     
357 C CB    . ARG A 46 ? 0.6209 0.5383 0.3555 -0.0975 0.0875  0.0529  57  ARG A CB    
358 C CG    . ARG A 46 ? 0.7489 0.6385 0.4193 -0.1050 0.0970  0.0734  57  ARG A CG    
359 C CD    . ARG A 46 ? 0.7598 0.6674 0.4764 -0.1123 0.1114  0.0981  57  ARG A CD    
360 N NE    . ARG A 46 ? 0.9297 0.8192 0.6342 -0.1203 0.0843  0.1191  57  ARG A NE    
361 C CZ    . ARG A 46 ? 0.8387 0.7334 0.5952 -0.1269 0.0821  0.1358  57  ARG A CZ    
362 N NH1   . ARG A 46 ? 0.7705 0.6916 0.5945 -0.1336 0.1000  0.1313  57  ARG A NH1   
363 N NH2   . ARG A 46 ? 1.1139 0.9851 0.8535 -0.1274 0.0604  0.1584  57  ARG A NH2   
364 N N     . VAL A 47 ? 0.4643 0.4559 0.3338 -0.0725 0.0998  0.0259  58  VAL A N     
365 C CA    . VAL A 47 ? 0.4291 0.4598 0.3655 -0.0708 0.0864  0.0214  58  VAL A CA    
366 C C     . VAL A 47 ? 0.5599 0.6025 0.5056 -0.0475 0.1059  0.0164  58  VAL A C     
367 O O     . VAL A 47 ? 0.5502 0.5577 0.4447 -0.0329 0.1284  0.0111  58  VAL A O     
368 C CB    . VAL A 47 ? 0.4040 0.4224 0.3413 -0.0785 0.0524  0.0101  58  VAL A CB    
369 C CG1   . VAL A 47 ? 0.4484 0.4559 0.3856 -0.0941 0.0365  0.0185  58  VAL A CG1   
370 C CG2   . VAL A 47 ? 0.4101 0.3922 0.2970 -0.0713 0.0463  -0.0037 58  VAL A CG2   
371 N N     . SER A 48 ? 0.4889 0.5777 0.4966 -0.0432 0.0973  0.0190  59  SER A N     
372 C CA    . SER A 48 ? 0.4811 0.5847 0.5055 -0.0161 0.1107  0.0198  59  SER A CA    
373 C C     . SER A 48 ? 0.4518 0.5630 0.4931 -0.0160 0.0807  0.0135  59  SER A C     
374 O O     . SER A 48 ? 0.3900 0.5068 0.4415 -0.0375 0.0538  0.0083  59  SER A O     
375 C CB    . SER A 48 ? 0.5116 0.6805 0.6027 -0.0049 0.1341  0.0385  59  SER A CB    
376 O OG    . SER A 48 ? 0.6302 0.8434 0.7709 -0.0335 0.1200  0.0470  59  SER A OG    
377 N N     . SER A 49 ? 0.4532 0.5591 0.4933 0.0104  0.0890  0.0151  60  SER A N     
378 C CA    . SER A 49 ? 0.4254 0.5353 0.4738 0.0128  0.0638  0.0135  60  SER A CA    
379 C C     . SER A 49 ? 0.4820 0.6478 0.5861 0.0380  0.0673  0.0329  60  SER A C     
380 O O     . SER A 49 ? 0.5437 0.6888 0.6374 0.0705  0.0861  0.0397  60  SER A O     
381 C CB    . SER A 49 ? 0.5166 0.5564 0.5027 0.0181  0.0648  0.0002  60  SER A CB    
382 O OG    . SER A 49 ? 0.5262 0.5675 0.5154 0.0129  0.0407  -0.0008 60  SER A OG    
383 N N     . PRO A 50 ? 0.3803 0.6165 0.5445 0.0231  0.0477  0.0434  61  PRO A N     
384 C CA    . PRO A 50 ? 0.3962 0.7042 0.6257 0.0452  0.0456  0.0672  61  PRO A CA    
385 C C     . PRO A 50 ? 0.4092 0.7105 0.6269 0.0638  0.0254  0.0743  61  PRO A C     
386 O O     . PRO A 50 ? 0.3592 0.7141 0.6256 0.0911  0.0232  0.0989  61  PRO A O     
387 C CB    . PRO A 50 ? 0.3209 0.6984 0.6063 0.0099  0.0210  0.0714  61  PRO A CB    
388 C CG    . PRO A 50 ? 0.3054 0.6302 0.5394 -0.0238 0.0003  0.0472  61  PRO A CG    
389 C CD    . PRO A 50 ? 0.3990 0.6509 0.5745 -0.0155 0.0255  0.0347  61  PRO A CD    
390 N N     . GLU A 51 ? 0.3729 0.6138 0.5307 0.0502  0.0111  0.0569  62  GLU A N     
391 C CA    . GLU A 51 ? 0.4452 0.6707 0.5797 0.0604  -0.0081 0.0631  62  GLU A CA    
392 C C     . GLU A 51 ? 0.4939 0.6357 0.5589 0.0508  -0.0020 0.0429  62  GLU A C     
393 O O     . GLU A 51 ? 0.4430 0.5592 0.4876 0.0269  0.0014  0.0238  62  GLU A O     
394 C CB    . GLU A 51 ? 0.3408 0.6155 0.4927 0.0339  -0.0471 0.0643  62  GLU A CB    
395 C CG    . GLU A 51 ? 0.5351 0.8936 0.7464 0.0425  -0.0682 0.0894  62  GLU A CG    
396 C CD    . GLU A 51 ? 0.7823 1.1644 0.9835 0.0036  -0.1066 0.0789  62  GLU A CD    
397 O OE1   . GLU A 51 ? 0.8228 1.1714 0.9730 0.0037  -0.1215 0.0768  62  GLU A OE1   
398 O OE2   . GLU A 51 ? 0.6211 1.0454 0.8574 -0.0283 -0.1184 0.0717  62  GLU A OE2   
399 N N     . PRO A 52 ? 0.5326 0.6348 0.5640 0.0668  -0.0025 0.0495  63  PRO A N     
400 C CA    . PRO A 52 ? 0.4789 0.5092 0.4521 0.0511  0.0023  0.0319  63  PRO A CA    
401 C C     . PRO A 52 ? 0.4781 0.5177 0.4442 0.0154  -0.0175 0.0152  63  PRO A C     
402 O O     . PRO A 52 ? 0.4051 0.4843 0.3857 0.0047  -0.0391 0.0183  63  PRO A O     
403 C CB    . PRO A 52 ? 0.5773 0.5745 0.5246 0.0733  0.0033  0.0487  63  PRO A CB    
404 C CG    . PRO A 52 ? 0.6089 0.6741 0.5985 0.0916  -0.0160 0.0739  63  PRO A CG    
405 C CD    . PRO A 52 ? 0.4644 0.5896 0.5121 0.0975  -0.0100 0.0769  63  PRO A CD    
406 N N     . ALA A 53 ? 0.4088 0.4117 0.3520 -0.0026 -0.0094 -0.0023 64  ALA A N     
407 C CA    . ALA A 53 ? 0.3590 0.3643 0.3000 -0.0303 -0.0203 -0.0169 64  ALA A CA    
408 C C     . ALA A 53 ? 0.3681 0.4197 0.3437 -0.0421 -0.0321 -0.0192 64  ALA A C     
409 O O     . ALA A 53 ? 0.3245 0.3790 0.2988 -0.0599 -0.0414 -0.0290 64  ALA A O     
410 C CB    . ALA A 53 ? 0.4905 0.4784 0.4073 -0.0383 -0.0264 -0.0181 64  ALA A CB    
411 N N     . THR A 54 ? 0.3560 0.4397 0.3622 -0.0332 -0.0278 -0.0105 65  THR A N     
412 C CA    . THR A 54 ? 0.2813 0.4080 0.3239 -0.0490 -0.0376 -0.0108 65  THR A CA    
413 C C     . THR A 54 ? 0.3959 0.5245 0.4530 -0.0491 -0.0202 -0.0088 65  THR A C     
414 O O     . THR A 54 ? 0.3388 0.4607 0.3922 -0.0287 -0.0012 -0.0013 65  THR A O     
415 C CB    . THR A 54 ? 0.3438 0.5245 0.4197 -0.0424 -0.0517 0.0040  65  THR A CB    
416 O OG1   . THR A 54 ? 0.3961 0.5673 0.4440 -0.0388 -0.0670 0.0059  65  THR A OG1   
417 C CG2   . THR A 54 ? 0.3188 0.5401 0.4283 -0.0699 -0.0665 0.0002  65  THR A CG2   
418 N N     . TRP A 55 ? 0.2536 0.3850 0.3216 -0.0707 -0.0235 -0.0149 66  TRP A N     
419 C CA    . TRP A 55 ? 0.2583 0.3775 0.3237 -0.0730 -0.0070 -0.0119 66  TRP A CA    
420 C C     . TRP A 55 ? 0.2839 0.4333 0.3866 -0.0921 -0.0072 -0.0065 66  TRP A C     
421 O O     . TRP A 55 ? 0.2720 0.4315 0.3898 -0.1115 -0.0234 -0.0131 66  TRP A O     
422 C CB    . TRP A 55 ? 0.3172 0.3919 0.3475 -0.0797 -0.0091 -0.0206 66  TRP A CB    
423 C CG    . TRP A 55 ? 0.3392 0.3857 0.3366 -0.0690 -0.0090 -0.0259 66  TRP A CG    
424 C CD1   . TRP A 55 ? 0.4010 0.4381 0.3896 -0.0699 -0.0189 -0.0323 66  TRP A CD1   
425 C CD2   . TRP A 55 ? 0.3422 0.3592 0.3047 -0.0590 0.0042  -0.0260 66  TRP A CD2   
426 N NE1   . TRP A 55 ? 0.3409 0.3459 0.2974 -0.0629 -0.0132 -0.0345 66  TRP A NE1   
427 C CE2   . TRP A 55 ? 0.3785 0.3674 0.3160 -0.0572 -0.0003 -0.0328 66  TRP A CE2   
428 C CE3   . TRP A 55 ? 0.3288 0.3340 0.2713 -0.0537 0.0217  -0.0221 66  TRP A CE3   
429 C CZ2   . TRP A 55 ? 0.5206 0.4665 0.4147 -0.0535 0.0096  -0.0379 66  TRP A CZ2   
430 C CZ3   . TRP A 55 ? 0.4143 0.3752 0.3065 -0.0473 0.0326  -0.0290 66  TRP A CZ3   
431 C CH2   . TRP A 55 ? 0.4451 0.3749 0.3140 -0.0487 0.0252  -0.0378 66  TRP A CH2   
432 N N     . SER A 56 ? 0.2657 0.4236 0.3775 -0.0892 0.0133  0.0047  67  SER A N     
433 C CA    . SER A 56 ? 0.2692 0.4529 0.4177 -0.1110 0.0175  0.0128  67  SER A CA    
434 C C     . SER A 56 ? 0.2930 0.4549 0.4210 -0.1089 0.0425  0.0233  67  SER A C     
435 O O     . SER A 56 ? 0.3500 0.4837 0.4357 -0.0904 0.0553  0.0227  67  SER A O     
436 C CB    . SER A 56 ? 0.2889 0.5416 0.4965 -0.1133 0.0153  0.0236  67  SER A CB    
437 O OG    . SER A 56 ? 0.3486 0.6236 0.5663 -0.0841 0.0391  0.0364  67  SER A OG    
438 N N     . ILE A 57 ? 0.3499 0.5186 0.5004 -0.1312 0.0495  0.0326  68  ILE A N     
439 C CA    . ILE A 57 ? 0.3387 0.4854 0.4639 -0.1310 0.0746  0.0468  68  ILE A CA    
440 C C     . ILE A 57 ? 0.4548 0.6398 0.5976 -0.1146 0.1053  0.0586  68  ILE A C     
441 O O     . ILE A 57 ? 0.4049 0.6507 0.6119 -0.1204 0.1112  0.0673  68  ILE A O     
442 C CB    . ILE A 57 ? 0.3586 0.4942 0.5016 -0.1599 0.0772  0.0570  68  ILE A CB    
443 C CG1   . ILE A 57 ? 0.5650 0.6423 0.6713 -0.1632 0.0605  0.0518  68  ILE A CG1   
444 C CG2   . ILE A 57 ? 0.3993 0.5291 0.5258 -0.1601 0.1097  0.0781  68  ILE A CG2   
445 C CD1   . ILE A 57 ? 0.4795 0.5201 0.5267 -0.1446 0.0634  0.0584  68  ILE A CD1   
446 N N     . GLY A 58 ? 0.5748 0.7255 0.6608 -0.0942 0.1254  0.0587  69  GLY A N     
447 C CA    . GLY A 58 ? 0.5543 0.7269 0.6448 -0.0698 0.1605  0.0651  69  GLY A CA    
448 C C     . GLY A 58 ? 0.6075 0.7207 0.6140 -0.0489 0.1777  0.0553  69  GLY A C     
449 O O     . GLY A 58 ? 0.7021 0.8102 0.6864 -0.0334 0.2182  0.0618  69  GLY A O     
450 P P     A DC  B 1  ? 0.4960 0.7034 0.4848 -0.0702 -0.1636 0.1267  201 DC  C P     
451 O OP1   A DC  B 1  ? 0.5266 0.7339 0.4891 -0.0814 -0.1892 0.1267  201 DC  C OP1   
452 O OP2   A DC  B 1  ? 0.5586 0.7448 0.5328 -0.0565 -0.1390 0.1270  201 DC  C OP2   
453 O "O5'" A DC  B 1  ? 0.6112 0.8067 0.5994 -0.0806 -0.1556 0.1042  201 DC  C "O5'" 
454 C "C5'" A DC  B 1  ? 0.5086 0.7016 0.4834 -0.0970 -0.1734 0.0927  201 DC  C "C5'" 
455 C "C4'" A DC  B 1  ? 0.4473 0.6209 0.4115 -0.1035 -0.1601 0.0709  201 DC  C "C4'" 
456 O "O4'" A DC  B 1  ? 0.4992 0.6487 0.4420 -0.0951 -0.1373 0.0621  201 DC  C "O4'" 
457 C "C3'" A DC  B 1  ? 0.4833 0.6406 0.4159 -0.1192 -0.1741 0.0565  201 DC  C "C3'" 
458 O "O3'" A DC  B 1  ? 0.4565 0.6093 0.3974 -0.1254 -0.1665 0.0424  201 DC  C "O3'" 
459 C "C2'" A DC  B 1  ? 0.4905 0.6177 0.3792 -0.1157 -0.1642 0.0488  201 DC  C "C2'" 
460 C "C1'" A DC  B 1  ? 0.4933 0.6165 0.3963 -0.1038 -0.1378 0.0459  201 DC  C "C1'" 
461 N N1    A DC  B 1  ? 0.4992 0.5998 0.3735 -0.0958 -0.1230 0.0445  201 DC  C N1    
462 C C2    A DC  B 1  ? 0.4860 0.5590 0.3265 -0.1004 -0.1135 0.0281  201 DC  C C2    
463 O O2    A DC  B 1  ? 0.4840 0.5511 0.3176 -0.1103 -0.1174 0.0153  201 DC  C O2    
464 N N3    A DC  B 1  ? 0.5003 0.5531 0.3173 -0.0935 -0.0989 0.0274  201 DC  C N3    
465 C C4    A DC  B 1  ? 0.5212 0.5787 0.3454 -0.0824 -0.0935 0.0418  201 DC  C C4    
466 N N4    A DC  B 1  ? 0.5207 0.5559 0.3211 -0.0762 -0.0776 0.0406  201 DC  C N4    
467 C C5    A DC  B 1  ? 0.4985 0.5832 0.3557 -0.0766 -0.1027 0.0591  201 DC  C C5    
468 C C6    A DC  B 1  ? 0.4912 0.5975 0.3733 -0.0836 -0.1173 0.0599  201 DC  C C6    
469 P P     A DA  B 2  ? 0.4679 0.6452 0.4464 -0.1334 -0.1783 0.0464  202 DA  C P     
470 O OP1   A DA  B 2  ? 0.4465 0.6468 0.4388 -0.1372 -0.2014 0.0631  202 DA  C OP1   
471 O OP2   A DA  B 2  ? 0.5077 0.6680 0.4711 -0.1449 -0.1770 0.0284  202 DA  C OP2   
472 O "O5'" A DA  B 2  ? 0.4148 0.6094 0.4333 -0.1197 -0.1604 0.0544  202 DA  C "O5'" 
473 C "C5'" A DA  B 2  ? 0.4276 0.6087 0.4431 -0.1130 -0.1378 0.0426  202 DA  C "C5'" 
474 C "C4'" A DA  B 2  ? 0.4105 0.6093 0.4624 -0.1002 -0.1247 0.0535  202 DA  C "C4'" 
475 O "O4'" A DA  B 2  ? 0.4366 0.6435 0.4941 -0.0903 -0.1253 0.0701  202 DA  C "O4'" 
476 C "C3'" A DA  B 2  ? 0.4170 0.6037 0.4666 -0.0923 -0.1016 0.0423  202 DA  C "C3'" 
477 O "O3'" A DA  B 2  ? 0.3917 0.5853 0.4601 -0.0950 -0.0985 0.0365  202 DA  C "O3'" 
478 C "C2'" A DA  B 2  ? 0.4226 0.6169 0.4899 -0.0779 -0.0894 0.0556  202 DA  C "C2'" 
479 C "C1'" A DA  B 2  ? 0.3822 0.5847 0.4477 -0.0769 -0.1035 0.0717  202 DA  C "C1'" 
480 N N9    A DA  B 2  ? 0.4491 0.6332 0.4860 -0.0718 -0.0964 0.0712  202 DA  C N9    
481 C C8    A DA  B 2  ? 0.3985 0.5858 0.4399 -0.0605 -0.0919 0.0870  202 DA  C C8    
482 N N7    A DA  B 2  ? 0.4215 0.5876 0.4323 -0.0581 -0.0846 0.0829  202 DA  C N7    
483 C C5    A DA  B 2  ? 0.4389 0.5878 0.4244 -0.0685 -0.0847 0.0633  202 DA  C C5    
484 C C6    A DA  B 2  ? 0.4407 0.5640 0.3904 -0.0712 -0.0775 0.0512  202 DA  C C6    
485 N N6    A DA  B 2  ? 0.4222 0.5317 0.3545 -0.0638 -0.0686 0.0570  202 DA  C N6    
486 N N1    A DA  B 2  ? 0.4220 0.5338 0.3551 -0.0811 -0.0782 0.0339  202 DA  C N1    
487 C C2    A DA  B 2  ? 0.4321 0.5561 0.3821 -0.0877 -0.0856 0.0288  202 DA  C C2    
488 N N3    A DA  B 2  ? 0.4494 0.5966 0.4327 -0.0866 -0.0926 0.0386  202 DA  C N3    
489 C C4    A DA  B 2  ? 0.4333 0.5927 0.4337 -0.0767 -0.0919 0.0559  202 DA  C C4    
490 P P     A DC  B 3  ? 0.3657 0.5411 0.4129 -0.0999 -0.0894 0.0162  203 DC  C P     
491 O OP1   A DC  B 3  ? 0.3104 0.4952 0.3796 -0.1014 -0.0875 0.0140  203 DC  C OP1   
492 O OP2   A DC  B 3  ? 0.3923 0.5506 0.4054 -0.1098 -0.1000 0.0090  203 DC  C OP2   
493 O "O5'" A DC  B 3  ? 0.3694 0.5351 0.4089 -0.0891 -0.0690 0.0103  203 DC  C "O5'" 
494 C "C5'" A DC  B 3  ? 0.3494 0.5122 0.3918 -0.0856 -0.0550 -0.0008 203 DC  C "C5'" 
495 C "C4'" A DC  B 3  ? 0.3661 0.5124 0.3847 -0.0835 -0.0423 -0.0123 203 DC  C "C4'" 
496 O "O4'" A DC  B 3  ? 0.3536 0.4976 0.3719 -0.0766 -0.0364 -0.0043 203 DC  C "O4'" 
497 C "C3'" A DC  B 3  ? 0.3478 0.4768 0.3353 -0.0921 -0.0474 -0.0216 203 DC  C "C3'" 
498 O "O3'" A DC  B 3  ? 0.3510 0.4699 0.3256 -0.0910 -0.0340 -0.0348 203 DC  C "O3'" 
499 C "C2'" A DC  B 3  ? 0.3747 0.4977 0.3502 -0.0908 -0.0514 -0.0128 203 DC  C "C2'" 
500 C "C1'" A DC  B 3  ? 0.3662 0.4937 0.3566 -0.0805 -0.0370 -0.0087 203 DC  C "C1'" 
501 N N1    A DC  B 3  ? 0.3775 0.5041 0.3675 -0.0750 -0.0378 0.0046  203 DC  C N1    
502 C C2    A DC  B 3  ? 0.3985 0.5074 0.3629 -0.0752 -0.0325 0.0018  203 DC  C C2    
503 O O2    A DC  B 3  ? 0.3952 0.4902 0.3393 -0.0804 -0.0276 -0.0116 203 DC  C O2    
504 N N3    A DC  B 3  ? 0.4217 0.5286 0.3848 -0.0689 -0.0318 0.0150  203 DC  C N3    
505 C C4    A DC  B 3  ? 0.4365 0.5600 0.4239 -0.0623 -0.0363 0.0308  203 DC  C C4    
506 N N4    A DC  B 3  ? 0.4167 0.5380 0.4022 -0.0547 -0.0344 0.0448  203 DC  C N4    
507 C C5    A DC  B 3  ? 0.3722 0.5149 0.3876 -0.0623 -0.0415 0.0339  203 DC  C C5    
508 C C6    A DC  B 3  ? 0.3701 0.5130 0.3851 -0.0689 -0.0420 0.0203  203 DC  C C6    
509 P P     A DG  B 4  ? 0.3072 0.4219 0.2744 -0.0956 -0.0321 -0.0470 204 DG  C P     
510 O OP1   A DG  B 4  ? 0.3630 0.4739 0.3233 -0.1042 -0.0464 -0.0450 204 DG  C OP1   
511 O OP2   A DG  B 4  ? 0.4067 0.5096 0.3560 -0.0948 -0.0197 -0.0581 204 DG  C OP2   
512 O "O5'" A DG  B 4  ? 0.2758 0.4069 0.2699 -0.0891 -0.0262 -0.0462 204 DG  C "O5'" 
513 C "C5'" A DG  B 4  ? 0.3418 0.4783 0.3450 -0.0812 -0.0137 -0.0483 204 DG  C "C5'" 
514 C "C4'" A DG  B 4  ? 0.3254 0.4767 0.3528 -0.0749 -0.0112 -0.0439 204 DG  C "C4'" 
515 O "O4'" A DG  B 4  ? 0.2968 0.4566 0.3415 -0.0743 -0.0201 -0.0297 204 DG  C "O4'" 
516 C "C3'" A DG  B 4  ? 0.3333 0.4885 0.3675 -0.0666 0.0014  -0.0465 204 DG  C "C3'" 
517 O "O3'" A DG  B 4  ? 0.3563 0.5129 0.3854 -0.0655 0.0084  -0.0582 204 DG  C "O3'" 
518 C "C2'" A DG  B 4  ? 0.3233 0.4900 0.3812 -0.0597 0.0013  -0.0347 204 DG  C "C2'" 
519 C "C1'" A DG  B 4  ? 0.3230 0.4929 0.3882 -0.0649 -0.0124 -0.0230 204 DG  C "C1'" 
520 N N9    A DG  B 4  ? 0.3383 0.5095 0.4099 -0.0618 -0.0142 -0.0107 204 DG  C N9    
521 C C8    A DG  B 4  ? 0.3129 0.4966 0.4080 -0.0579 -0.0191 0.0051  204 DG  C C8    
522 N N7    A DG  B 4  ? 0.3386 0.5212 0.4343 -0.0546 -0.0194 0.0151  204 DG  C N7    
523 C C5    A DG  B 4  ? 0.3475 0.5143 0.4175 -0.0569 -0.0140 0.0046  204 DG  C C5    
524 C C6    A DG  B 4  ? 0.3202 0.4770 0.3783 -0.0545 -0.0103 0.0089  204 DG  C C6    
525 O O6    A DG  B 4  ? 0.3137 0.4744 0.3816 -0.0488 -0.0112 0.0237  204 DG  C O6    
526 N N1    A DG  B 4  ? 0.3622 0.5033 0.3959 -0.0587 -0.0038 -0.0051 204 DG  C N1    
527 C C2    A DG  B 4  ? 0.3572 0.4950 0.3808 -0.0640 -0.0018 -0.0205 204 DG  C C2    
528 N N2    A DG  B 4  ? 0.3408 0.4651 0.3442 -0.0674 0.0052  -0.0313 204 DG  C N2    
529 N N3    A DG  B 4  ? 0.3346 0.4819 0.3683 -0.0652 -0.0053 -0.0239 204 DG  C N3    
530 C C4    A DG  B 4  ? 0.3304 0.4909 0.3865 -0.0617 -0.0111 -0.0112 204 DG  C C4    
531 P P     A DC  B 5  ? 0.3656 0.5175 0.3826 -0.0654 0.0185  -0.0695 205 DC  C P     
532 O OP1   A DC  B 5  ? 0.3707 0.5303 0.3880 -0.0632 0.0229  -0.0786 205 DC  C OP1   
533 O OP2   A DC  B 5  ? 0.3643 0.5032 0.3644 -0.0720 0.0168  -0.0712 205 DC  C OP2   
534 O "O5'" A DC  B 5  ? 0.3686 0.5223 0.3951 -0.0590 0.0256  -0.0652 205 DC  C "O5'" 
535 C "C5'" A DC  B 5  ? 0.3730 0.5280 0.3971 -0.0565 0.0352  -0.0745 205 DC  C "C5'" 
536 C "C4'" A DC  B 5  ? 0.4150 0.5580 0.4302 -0.0593 0.0416  -0.0766 205 DC  C "C4'" 
537 O "O4'" A DC  B 5  ? 0.3662 0.5047 0.3888 -0.0540 0.0435  -0.0648 205 DC  C "O4'" 
538 C "C3'" A DC  B 5  ? 0.3889 0.5218 0.3909 -0.0665 0.0386  -0.0774 205 DC  C "C3'" 
539 O "O3'" A DC  B 5  ? 0.3607 0.4849 0.3538 -0.0701 0.0477  -0.0855 205 DC  C "O3'" 
540 C "C2'" A DC  B 5  ? 0.3900 0.5180 0.3951 -0.0645 0.0330  -0.0631 205 DC  C "C2'" 
541 C "C1'" A DC  B 5  ? 0.3934 0.5219 0.4089 -0.0572 0.0411  -0.0584 205 DC  C "C1'" 
542 N N1    A DC  B 5  ? 0.3848 0.5162 0.4127 -0.0515 0.0365  -0.0419 205 DC  C N1    
543 C C2    A DC  B 5  ? 0.3894 0.5109 0.4141 -0.0494 0.0397  -0.0327 205 DC  C C2    
544 O O2    A DC  B 5  ? 0.4204 0.5286 0.4307 -0.0526 0.0472  -0.0391 205 DC  C O2    
545 N N3    A DC  B 5  ? 0.3707 0.4983 0.4096 -0.0433 0.0352  -0.0160 205 DC  C N3    
546 C C4    A DC  B 5  ? 0.3691 0.5116 0.4259 -0.0408 0.0280  -0.0093 205 DC  C C4    
547 N N4    A DC  B 5  ? 0.3187 0.4694 0.3926 -0.0352 0.0237  0.0081  205 DC  C N4    
548 C C5    A DC  B 5  ? 0.3527 0.5028 0.4118 -0.0434 0.0257  -0.0192 205 DC  C C5    
549 C C6    A DC  B 5  ? 0.3599 0.5043 0.4037 -0.0481 0.0300  -0.0350 205 DC  C C6    
550 P P     A DA  B 6  ? 0.4132 0.5418 0.4010 -0.0755 0.0522  -0.0998 206 DA  C P     
551 O OP1   A DA  B 6  ? 0.4098 0.5415 0.3931 -0.0774 0.0454  -0.1001 206 DA  C OP1   
552 O OP2   A DA  B 6  ? 0.4908 0.6074 0.4710 -0.0804 0.0614  -0.1047 206 DA  C OP2   
553 O "O5'" A DA  B 6  ? 0.3490 0.4914 0.3465 -0.0713 0.0547  -0.1061 206 DA  C "O5'" 
554 C "C5'" A DA  B 6  ? 0.4309 0.5693 0.4293 -0.0705 0.0624  -0.1096 206 DA  C "C5'" 
555 C "C4'" A DA  B 6  ? 0.4788 0.6296 0.4836 -0.0647 0.0622  -0.1130 206 DA  C "C4'" 
556 O "O4'" A DA  B 6  ? 0.4541 0.6121 0.4668 -0.0577 0.0556  -0.1034 206 DA  C "O4'" 
557 C "C3'" A DA  B 6  ? 0.4921 0.6343 0.4955 -0.0614 0.0698  -0.1134 206 DA  C "C3'" 
558 O "O3'" A DA  B 6  ? 0.5895 0.7309 0.5868 -0.0682 0.0753  -0.1271 206 DA  C "O3'" 
559 C "C2'" A DA  B 6  ? 0.4368 0.5889 0.4470 -0.0518 0.0674  -0.1089 206 DA  C "C2'" 
560 C "C1'" A DA  B 6  ? 0.4512 0.6124 0.4689 -0.0498 0.0585  -0.1010 206 DA  C "C1'" 
561 N N9    A DA  B 6  ? 0.4478 0.6061 0.4748 -0.0439 0.0561  -0.0863 206 DA  C N9    
562 C C8    A DA  B 6  ? 0.4128 0.5802 0.4503 -0.0385 0.0509  -0.0785 206 DA  C C8    
563 N N7    A DA  B 6  ? 0.3761 0.5410 0.4239 -0.0351 0.0490  -0.0649 206 DA  C N7    
564 C C5    A DA  B 6  ? 0.4068 0.5597 0.4491 -0.0371 0.0535  -0.0631 206 DA  C C5    
565 C C6    A DA  B 6  ? 0.4033 0.5498 0.4522 -0.0341 0.0543  -0.0496 206 DA  C C6    
566 N N6    A DA  B 6  ? 0.3535 0.5077 0.4189 -0.0294 0.0491  -0.0352 206 DA  C N6    
567 N N1    A DA  B 6  ? 0.4067 0.5395 0.4460 -0.0360 0.0612  -0.0507 206 DA  C N1    
568 C C2    A DA  B 6  ? 0.4246 0.5505 0.4499 -0.0421 0.0665  -0.0652 206 DA  C C2    
569 N N3    A DA  B 6  ? 0.4244 0.5578 0.4446 -0.0464 0.0652  -0.0787 206 DA  C N3    
570 C C4    A DA  B 6  ? 0.4187 0.5657 0.4474 -0.0428 0.0585  -0.0765 206 DA  C C4    
571 P P     B U   C 1  ? 0.7568 0.4756 0.4650 -0.2002 0.0191  0.0605  1   U   B P     
572 O OP1   B U   C 1  ? 0.7459 0.4804 0.4705 -0.2048 0.0449  0.0450  1   U   B OP1   
573 O OP2   B U   C 1  ? 0.7875 0.4700 0.4706 -0.1943 0.0221  0.0572  1   U   B OP2   
574 O "O5'" B U   C 1  ? 0.6782 0.4068 0.3831 -0.2071 0.0003  0.0580  1   U   B "O5'" 
575 C "C5'" B U   C 1  ? 0.6901 0.4588 0.4199 -0.2078 -0.0032 0.0530  1   U   B "C5'" 
576 C "C4'" B U   C 1  ? 0.6723 0.4491 0.4011 -0.2094 -0.0083 0.0372  1   U   B "C4'" 
577 O "O4'" B U   C 1  ? 0.5841 0.3569 0.3165 -0.2108 0.0151  0.0132  1   U   B "O4'" 
578 C "C3'" B U   C 1  ? 0.6555 0.4044 0.3581 -0.2101 -0.0262 0.0446  1   U   B "C3'" 
579 O "O3'" B U   C 1  ? 0.6558 0.4252 0.3653 -0.2097 -0.0368 0.0381  1   U   B "O3'" 
580 C "C2'" B U   C 1  ? 0.7173 0.4333 0.4022 -0.2099 -0.0065 0.0295  1   U   B "C2'" 
581 O "O2'" B U   C 1  ? 0.7348 0.4254 0.3964 -0.2093 -0.0135 0.0270  1   U   B "O2'" 
582 C "C1'" B U   C 1  ? 0.6615 0.4067 0.3740 -0.2107 0.0145  0.0074  1   U   B "C1'" 
583 N N1    B U   C 1  ? 0.6365 0.3595 0.3448 -0.2115 0.0410  -0.0078 1   U   B N1    
584 C C2    B U   C 1  ? 0.6297 0.3362 0.3302 -0.2110 0.0493  -0.0203 1   U   B C2    
585 O O2    B U   C 1  ? 0.6722 0.3809 0.3677 -0.2093 0.0360  -0.0193 1   U   B O2    
586 N N3    B U   C 1  ? 0.6713 0.3570 0.3703 -0.2119 0.0758  -0.0335 1   U   B N3    
587 C C4    B U   C 1  ? 0.6731 0.3505 0.3748 -0.2134 0.0946  -0.0361 1   U   B C4    
588 O O4    B U   C 1  ? 0.6403 0.3027 0.3423 -0.2105 0.1179  -0.0484 1   U   B O4    
589 C C5    B U   C 1  ? 0.6914 0.3860 0.3994 -0.2131 0.0848  -0.0228 1   U   B C5    
590 C C6    B U   C 1  ? 0.6747 0.3915 0.3868 -0.2121 0.0592  -0.0090 1   U   B C6    
591 P P     B G   C 2  ? 0.6762 0.4580 0.3854 -0.2100 -0.0645 0.0568  2   G   B P     
592 O OP1   B G   C 2  ? 0.6874 0.4456 0.3817 -0.2126 -0.0790 0.0795  2   G   B OP1   
593 O OP2   B G   C 2  ? 0.6400 0.4197 0.3401 -0.2087 -0.0712 0.0481  2   G   B OP2   
594 O "O5'" B G   C 2  ? 0.6517 0.4774 0.3918 -0.2083 -0.0624 0.0576  2   G   B "O5'" 
595 C "C5'" B G   C 2  ? 0.5845 0.4383 0.3415 -0.2066 -0.0516 0.0379  2   G   B "C5'" 
596 C "C4'" B G   C 2  ? 0.5866 0.4656 0.3635 -0.2055 -0.0410 0.0375  2   G   B "C4'" 
597 O "O4'" B G   C 2  ? 0.6595 0.5212 0.4346 -0.2066 -0.0239 0.0382  2   G   B "O4'" 
598 C "C3'" B G   C 2  ? 0.5853 0.4913 0.3767 -0.2052 -0.0305 0.0159  2   G   B "C3'" 
599 O "O3'" B G   C 2  ? 0.5566 0.4869 0.3536 -0.2021 -0.0457 0.0191  2   G   B "O3'" 
600 C "C2'" B G   C 2  ? 0.5902 0.5007 0.3903 -0.2056 -0.0123 0.0142  2   G   B "C2'" 
601 O "O2'" B G   C 2  ? 0.5955 0.5240 0.4031 -0.2016 -0.0183 0.0289  2   G   B "O2'" 
602 C "C1'" B G   C 2  ? 0.5939 0.4738 0.3835 -0.2062 -0.0061 0.0264  2   G   B "C1'" 
603 N N9    B G   C 2  ? 0.6189 0.4804 0.4047 -0.2093 0.0162  0.0097  2   G   B N9    
604 C C8    B G   C 2  ? 0.6127 0.4623 0.3987 -0.2090 0.0354  0.0111  2   G   B C8    
605 N N7    B G   C 2  ? 0.6401 0.4715 0.4214 -0.2123 0.0541  -0.0053 2   G   B N7    
606 C C5    B G   C 2  ? 0.6254 0.4579 0.4053 -0.2146 0.0469  -0.0174 2   G   B C5    
607 C C6    B G   C 2  ? 0.6063 0.4241 0.3846 -0.2181 0.0614  -0.0357 2   G   B C6    
608 O O6    B G   C 2  ? 0.6491 0.4489 0.4260 -0.2207 0.0839  -0.0459 2   G   B O6    
609 N N1    B G   C 2  ? 0.5794 0.4048 0.3590 -0.2178 0.0491  -0.0409 2   G   B N1    
610 C C2    B G   C 2  ? 0.5760 0.4186 0.3555 -0.2147 0.0257  -0.0308 2   G   B C2    
611 N N2    B G   C 2  ? 0.5825 0.4277 0.3620 -0.2135 0.0186  -0.0373 2   G   B N2    
612 N N3    B G   C 2  ? 0.6005 0.4558 0.3806 -0.2123 0.0118  -0.0143 2   G   B N3    
613 C C4    B G   C 2  ? 0.6052 0.4554 0.3867 -0.2124 0.0236  -0.0083 2   G   B C4    
614 P P     B C   C 3  ? 0.4918 0.4364 0.2907 -0.2007 -0.0528 0.0036  3   C   B P     
615 O OP1   B C   C 3  ? 0.4673 0.4353 0.2697 -0.1961 -0.0677 0.0116  3   C   B OP1   
616 O OP2   B C   C 3  ? 0.5991 0.5177 0.3844 -0.2015 -0.0552 0.0031  3   C   B OP2   
617 O "O5'" B C   C 3  ? 0.4974 0.4573 0.3102 -0.2039 -0.0356 -0.0211 3   C   B "O5'" 
618 C "C5'" B C   C 3  ? 0.4951 0.4847 0.3190 -0.2027 -0.0403 -0.0349 3   C   B "C5'" 
619 C "C4'" B C   C 3  ? 0.4490 0.4451 0.2861 -0.2077 -0.0284 -0.0583 3   C   B "C4'" 
620 O "O4'" B C   C 3  ? 0.4738 0.4598 0.3137 -0.2141 -0.0085 -0.0673 3   C   B "O4'" 
621 C "C3'" B C   C 3  ? 0.4552 0.4336 0.2910 -0.2075 -0.0255 -0.0608 3   C   B "C3'" 
622 O "O3'" B C   C 3  ? 0.4638 0.4634 0.3198 -0.2095 -0.0217 -0.0801 3   C   B "O3'" 
623 C "C2'" B C   C 3  ? 0.5000 0.4491 0.3292 -0.2122 -0.0068 -0.0612 3   C   B "C2'" 
624 O "O2'" B C   C 3  ? 0.5123 0.4434 0.3427 -0.2137 0.0053  -0.0700 3   C   B "O2'" 
625 C "C1'" B C   C 3  ? 0.4646 0.4294 0.3058 -0.2176 0.0051  -0.0744 3   C   B "C1'" 
626 N N1    B C   C 3  ? 0.5081 0.4494 0.3422 -0.2209 0.0230  -0.0720 3   C   B N1    
627 C C2    B C   C 3  ? 0.4901 0.4147 0.3286 -0.2261 0.0421  -0.0854 3   C   B C2    
628 O O2    B C   C 3  ? 0.4853 0.4167 0.3354 -0.2274 0.0425  -0.0968 3   C   B O2    
629 N N3    B C   C 3  ? 0.5396 0.4405 0.3704 -0.2285 0.0606  -0.0842 3   C   B N3    
630 C C4    B C   C 3  ? 0.5482 0.4443 0.3696 -0.2256 0.0604  -0.0699 3   C   B C4    
631 N N4    B C   C 3  ? 0.5308 0.4033 0.3451 -0.2268 0.0798  -0.0683 3   C   B N4    
632 C C5    B C   C 3  ? 0.5125 0.4272 0.3324 -0.2204 0.0416  -0.0554 3   C   B C5    
633 C C6    B C   C 3  ? 0.5188 0.4550 0.3443 -0.2186 0.0236  -0.0575 3   C   B C6    
634 P P     B G   C 4  ? 0.4692 0.4867 0.3320 -0.2026 -0.0363 -0.0803 4   G   B P     
635 O OP1   B G   C 4  ? 0.4560 0.4457 0.2973 -0.1967 -0.0431 -0.0631 4   G   B OP1   
636 O OP2   B G   C 4  ? 0.4511 0.4858 0.3403 -0.2067 -0.0260 -0.1000 4   G   B OP2   
637 O "O5'" B G   C 4  ? 0.4391 0.4864 0.3029 -0.1991 -0.0534 -0.0778 4   G   B "O5'" 
638 C "C5'" B G   C 4  ? 0.4374 0.5110 0.3156 -0.2040 -0.0521 -0.0939 4   G   B "C5'" 
639 C "C4'" B G   C 4  ? 0.4351 0.5234 0.3024 -0.1997 -0.0653 -0.0871 4   G   B "C4'" 
640 O "O4'" B G   C 4  ? 0.4358 0.5027 0.2856 -0.1985 -0.0618 -0.0700 4   G   B "O4'" 
641 C "C3'" B G   C 4  ? 0.4410 0.5488 0.3147 -0.2056 -0.0635 -0.1041 4   G   B "C3'" 
642 O "O3'" B G   C 4  ? 0.4408 0.5768 0.3304 -0.2016 -0.0756 -0.1143 4   G   B "O3'" 
643 C "C2'" B G   C 4  ? 0.4446 0.5466 0.2977 -0.2015 -0.0661 -0.0917 4   G   B "C2'" 
644 O "O2'" B G   C 4  ? 0.4682 0.5877 0.3143 -0.1927 -0.0840 -0.0853 4   G   B "O2'" 
645 C "C1'" B G   C 4  ? 0.4396 0.5154 0.2832 -0.1986 -0.0612 -0.0709 4   G   B "C1'" 
646 N N9    B G   C 4  ? 0.4453 0.5005 0.2843 -0.2037 -0.0434 -0.0687 4   G   B N9    
647 C C8    B G   C 4  ? 0.4467 0.4891 0.2747 -0.2001 -0.0398 -0.0503 4   G   B C8    
648 N N7    B G   C 4  ? 0.4902 0.5148 0.3173 -0.2044 -0.0222 -0.0508 4   G   B N7    
649 C C5    B G   C 4  ? 0.4568 0.4804 0.2933 -0.2121 -0.0130 -0.0714 4   G   B C5    
650 C C6    B G   C 4  ? 0.4816 0.4875 0.3205 -0.2193 0.0077  -0.0814 4   G   B C6    
651 O O6    B G   C 4  ? 0.4735 0.4603 0.3051 -0.2193 0.0223  -0.0735 4   G   B O6    
652 N N1    B G   C 4  ? 0.4678 0.4803 0.3207 -0.2263 0.0120  -0.1019 4   G   B N1    
653 C C2    B G   C 4  ? 0.4606 0.4959 0.3260 -0.2257 -0.0024 -0.1103 4   G   B C2    
654 N N2    B G   C 4  ? 0.4634 0.5045 0.3472 -0.2328 0.0051  -0.1282 4   G   B N2    
655 N N3    B G   C 4  ? 0.4525 0.5039 0.3142 -0.2180 -0.0219 -0.1008 4   G   B N3    
656 C C4    B G   C 4  ? 0.4513 0.4950 0.2974 -0.2119 -0.0260 -0.0822 4   G   B C4    
657 P P     B U   C 5  ? 0.4460 0.5984 0.3637 -0.2091 -0.0692 -0.1358 5   U   B P     
658 O OP1   B U   C 5  ? 0.4459 0.6274 0.3782 -0.2007 -0.0868 -0.1384 5   U   B OP1   
659 O OP2   B U   C 5  ? 0.4433 0.5807 0.3721 -0.2180 -0.0531 -0.1407 5   U   B OP2   
660 O "O5'" B U   C 5  ? 0.4600 0.6067 0.3692 -0.2155 -0.0608 -0.1454 5   U   B "O5'" 
661 C "C5'" B U   C 5  ? 0.4732 0.6372 0.3963 -0.2186 -0.0647 -0.1611 5   U   B "C5'" 
662 C "C4'" B U   C 5  ? 0.4840 0.6353 0.4144 -0.2315 -0.0455 -0.1751 5   U   B "C4'" 
663 O "O4'" B U   C 5  ? 0.4926 0.6192 0.3949 -0.2351 -0.0334 -0.1715 5   U   B "O4'" 
664 C "C3'" B U   C 5  ? 0.4752 0.6167 0.4241 -0.2377 -0.0292 -0.1778 5   U   B "C3'" 
665 O "O3'" B U   C 5  ? 0.4877 0.6318 0.4566 -0.2476 -0.0177 -0.1942 5   U   B "O3'" 
666 C "C2'" B U   C 5  ? 0.4740 0.5835 0.3979 -0.2397 -0.0145 -0.1677 5   U   B "C2'" 
667 O "O2'" B U   C 5  ? 0.4764 0.5649 0.4077 -0.2468 0.0067  -0.1721 5   U   B "O2'" 
668 C "C1'" B U   C 5  ? 0.4894 0.5931 0.3929 -0.2422 -0.0128 -0.1712 5   U   B "C1'" 
669 N N1    B U   C 5  ? 0.4896 0.5707 0.3649 -0.2422 -0.0064 -0.1583 5   U   B N1    
670 C C2    B U   C 5  ? 0.4989 0.5531 0.3667 -0.2493 0.0159  -0.1604 5   U   B C2    
671 O O2    B U   C 5  ? 0.5069 0.5550 0.3882 -0.2565 0.0306  -0.1736 5   U   B O2    
672 N N3    B U   C 5  ? 0.4987 0.5335 0.3469 -0.2410 0.0219  -0.1405 5   U   B N3    
673 C C4    B U   C 5  ? 0.4906 0.5305 0.3272 -0.2298 0.0082  -0.1210 5   U   B C4    
674 O O4    B U   C 5  ? 0.4918 0.5146 0.3165 -0.2239 0.0163  -0.1033 5   U   B O4    
675 C C5    B U   C 5  ? 0.4825 0.5486 0.3244 -0.2257 -0.0140 -0.1229 5   U   B C5    
676 C C6    B U   C 5  ? 0.4825 0.5682 0.3421 -0.2323 -0.0209 -0.1417 5   U   B C6    
677 P P     B G   C 6  ? 0.4876 0.6621 0.4954 -0.2504 -0.0256 -0.2052 6   G   B P     
678 O OP1   B G   C 6  ? 0.4699 0.6548 0.4887 -0.2439 -0.0321 -0.1966 6   G   B OP1   
679 O OP2   B G   C 6  ? 0.5018 0.6697 0.5282 -0.2622 -0.0073 -0.2191 6   G   B OP2   
680 O "O5'" B G   C 6  ? 0.5002 0.6974 0.5056 -0.2469 -0.0486 -0.2089 6   G   B "O5'" 
681 C "C5'" B G   C 6  ? 0.5239 0.7141 0.5184 -0.2542 -0.0471 -0.2195 6   G   B "C5'" 
682 C "C4'" B G   C 6  ? 0.5378 0.7410 0.5176 -0.2479 -0.0705 -0.2187 6   G   B "C4'" 
683 O "O4'" B G   C 6  ? 0.5239 0.7242 0.4816 -0.2346 -0.0789 -0.2027 6   G   B "O4'" 
684 C "C3'" B G   C 6  ? 0.5666 0.7522 0.5185 -0.2538 -0.0685 -0.2268 6   G   B "C3'" 
685 O "O3'" B G   C 6  ? 0.6036 0.7960 0.5725 -0.2657 -0.0706 -0.2427 6   G   B "O3'" 
686 C "C2'" B G   C 6  ? 0.5737 0.7632 0.4995 -0.2419 -0.0884 -0.2186 6   G   B "C2'" 
687 O "O2'" B G   C 6  ? 0.5955 0.8084 0.5354 -0.2402 -0.1115 -0.2243 6   G   B "O2'" 
688 C "C1'" B G   C 6  ? 0.5430 0.7376 0.4710 -0.2301 -0.0898 -0.2017 6   G   B "C1'" 
689 N N9    B G   C 6  ? 0.5366 0.7082 0.4333 -0.2258 -0.0795 -0.1895 6   G   B N9    
690 C C8    B G   C 6  ? 0.5279 0.7010 0.4072 -0.2131 -0.0902 -0.1741 6   G   B C8    
691 N N7    B G   C 6  ? 0.5239 0.6771 0.3797 -0.2131 -0.0789 -0.1640 6   G   B N7    
692 C C5    B G   C 6  ? 0.5302 0.6663 0.3867 -0.2259 -0.0588 -0.1736 6   G   B C5    
693 C C6    B G   C 6  ? 0.5318 0.6421 0.3678 -0.2320 -0.0399 -0.1687 6   G   B C6    
694 O O6    B G   C 6  ? 0.5271 0.6270 0.3413 -0.2284 -0.0386 -0.1541 6   G   B O6    
695 N N1    B G   C 6  ? 0.5420 0.6381 0.3852 -0.2437 -0.0211 -0.1817 6   G   B N1    
696 C C2    B G   C 6  ? 0.5490 0.6560 0.4173 -0.2496 -0.0211 -0.1968 6   G   B C2    
697 N N2    B G   C 6  ? 0.5599 0.6486 0.4312 -0.2601 0.0000  -0.2065 6   G   B N2    
698 N N3    B G   C 6  ? 0.5475 0.6808 0.4366 -0.2457 -0.0400 -0.2013 6   G   B N3    
699 C C4    B G   C 6  ? 0.5381 0.6842 0.4194 -0.2335 -0.0581 -0.1893 6   G   B C4    
# 
