data_9GXH
# 
_entry.id   9GXH 
# 
_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   9GXH         pdb_00009gxh 10.2210/pdb9gxh/pdb 
WWPDB D_1292142137 ?            ?                   
# 
_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       2025-06-11 
_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                        9GXH 
_pdbx_database_status.recvd_initial_deposition_date   2024-09-30 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_database_related.db_name        PDB 
_pdbx_database_related.details        'nanobody in free form' 
_pdbx_database_related.db_id          9GV4 
_pdbx_database_related.content_type   unspecified 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              sanahadzi@gmail.com 
_pdbx_contact_author.name_first         San 
_pdbx_contact_author.name_last          Hadzi 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-5615-7918 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Hadzi, S.' 1 0000-0002-5615-7918 
'Pevec, M.' 2 0000-0001-5968-3895 
# 
_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                   UK 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'Nucleic Acids Res.' 
_citation.journal_id_ASTM           NARHAD 
_citation.journal_id_CSD            0389 
_citation.journal_id_ISSN           1362-4962 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            53 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     'Structural basis of G-quadruplex recognition by a camelid antibody fragment.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1093/nar/gkaf453 
_citation.pdbx_database_id_PubMed   40433978 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Pevec, M.'   1 0000-0001-5968-3895 
primary 'Medved, T.'  2 ?                   
primary 'Kovacic, M.' 3 ?                   
primary 'Zerjav, N.'  4 ?                   
primary 'Imperl, J.'  5 ?                   
primary 'Plavec, J.'  6 0000-0003-1570-8602 
primary 'Lah, J.'     7 0000-0003-1021-3803 
primary 'Loris, R.'   8 0000-0002-8862-3338 
primary 'Hadzi, S.'   9 0000-0002-5615-7918 
# 
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 Nanobody                         13424.901 2   ? ? ? ? 
2 polymer     syn 'Thrombin-binding aptamer (TBA)' 4743.051  2   ? ? ? ? 
3 non-polymer syn 'POTASSIUM ION'                  39.098    3   ? ? ? ? 
4 non-polymer nat 1,2-ETHANEDIOL                   62.068    1   ? ? ? ? 
5 water       nat water                            18.015    345 ? ? ? ? 
# 
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 
;QVQLQESGGGLVQAGGSLRLSCAASGSRFSSNTMTWYRQAPGKQREWVATMRSIGTTRYASSVEGRFTLSRDNAKNTVYL
QMNSLKPEDTAVYYCNLRRGGGIYWGQGTQVTVSSHHHHHH
;
;QVQLQESGGGLVQAGGSLRLSCAASGSRFSSNTMTWYRQAPGKQREWVATMRSIGTTRYASSVEGRFTLSRDNAKNTVYL
QMNSLKPEDTAVYYCNLRRGGGIYWGQGTQVTVSSHHHHHH
;
A,B ? 
2 polydeoxyribonucleotide no no '(DG)(DG)(DT)(DT)(DG)(DG)(DT)(DG)(DT)(DG)(DG)(DT)(DT)(DG)(DG)' GGTTGGTGTGGTTGG C,D ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
3 'POTASSIUM ION' K   
4 1,2-ETHANEDIOL  EDO 
5 water           HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLN n 
1 2   VAL n 
1 3   GLN n 
1 4   LEU n 
1 5   GLN n 
1 6   GLU n 
1 7   SER n 
1 8   GLY n 
1 9   GLY n 
1 10  GLY n 
1 11  LEU n 
1 12  VAL n 
1 13  GLN n 
1 14  ALA n 
1 15  GLY n 
1 16  GLY n 
1 17  SER n 
1 18  LEU n 
1 19  ARG n 
1 20  LEU n 
1 21  SER n 
1 22  CYS n 
1 23  ALA n 
1 24  ALA n 
1 25  SER n 
1 26  GLY n 
1 27  SER n 
1 28  ARG n 
1 29  PHE n 
1 30  SER n 
1 31  SER n 
1 32  ASN n 
1 33  THR n 
1 34  MET n 
1 35  THR n 
1 36  TRP n 
1 37  TYR n 
1 38  ARG n 
1 39  GLN n 
1 40  ALA n 
1 41  PRO n 
1 42  GLY n 
1 43  LYS n 
1 44  GLN n 
1 45  ARG n 
1 46  GLU n 
1 47  TRP n 
1 48  VAL n 
1 49  ALA n 
1 50  THR n 
1 51  MET n 
1 52  ARG n 
1 53  SER n 
1 54  ILE n 
1 55  GLY n 
1 56  THR n 
1 57  THR n 
1 58  ARG n 
1 59  TYR n 
1 60  ALA n 
1 61  SER n 
1 62  SER n 
1 63  VAL n 
1 64  GLU n 
1 65  GLY n 
1 66  ARG n 
1 67  PHE n 
1 68  THR n 
1 69  LEU n 
1 70  SER n 
1 71  ARG n 
1 72  ASP n 
1 73  ASN n 
1 74  ALA n 
1 75  LYS n 
1 76  ASN n 
1 77  THR n 
1 78  VAL n 
1 79  TYR n 
1 80  LEU n 
1 81  GLN n 
1 82  MET n 
1 83  ASN n 
1 84  SER n 
1 85  LEU n 
1 86  LYS n 
1 87  PRO n 
1 88  GLU n 
1 89  ASP n 
1 90  THR n 
1 91  ALA n 
1 92  VAL n 
1 93  TYR n 
1 94  TYR n 
1 95  CYS n 
1 96  ASN n 
1 97  LEU n 
1 98  ARG n 
1 99  ARG n 
1 100 GLY n 
1 101 GLY n 
1 102 GLY n 
1 103 ILE n 
1 104 TYR n 
1 105 TRP n 
1 106 GLY n 
1 107 GLN n 
1 108 GLY n 
1 109 THR n 
1 110 GLN n 
1 111 VAL n 
1 112 THR n 
1 113 VAL n 
1 114 SER n 
1 115 SER n 
1 116 HIS n 
1 117 HIS n 
1 118 HIS n 
1 119 HIS n 
1 120 HIS n 
1 121 HIS n 
2 1   DG  n 
2 2   DG  n 
2 3   DT  n 
2 4   DT  n 
2 5   DG  n 
2 6   DG  n 
2 7   DT  n 
2 8   DG  n 
2 9   DT  n 
2 10  DG  n 
2 11  DG  n 
2 12  DT  n 
2 13  DT  n 
2 14  DG  n 
2 15  DG  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                   121 
_entity_src_gen.gene_src_common_name               ? 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 ? 
_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      'Lama glama' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9844 
_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               WK6 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
_pdbx_entity_src_syn.entity_id              2 
_pdbx_entity_src_syn.pdbx_src_id            1 
_pdbx_entity_src_syn.pdbx_alt_source_flag   sample 
_pdbx_entity_src_syn.pdbx_beg_seq_num       1 
_pdbx_entity_src_syn.pdbx_end_seq_num       15 
_pdbx_entity_src_syn.organism_scientific    'synthetic construct' 
_pdbx_entity_src_syn.organism_common_name   ? 
_pdbx_entity_src_syn.ncbi_taxonomy_id       32630 
_pdbx_entity_src_syn.details                ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE                              ?                 'C3 H7 N O2'      89.093  
ARG 'L-peptide linking' y ARGININE                             ?                 'C6 H15 N4 O2 1'  175.209 
ASN 'L-peptide linking' y ASPARAGINE                           ?                 'C4 H8 N2 O3'     132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'                      ?                 'C4 H7 N O4'      133.103 
CYS 'L-peptide linking' y CYSTEINE                             ?                 'C3 H7 N O2 S'    121.158 
DG  'DNA linking'       y "2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE" ?                 'C10 H14 N5 O7 P' 347.221 
DT  'DNA linking'       y "THYMIDINE-5'-MONOPHOSPHATE"         ?                 'C10 H15 N2 O8 P' 322.208 
EDO non-polymer         . 1,2-ETHANEDIOL                       'ETHYLENE GLYCOL' 'C2 H6 O2'        62.068  
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  
HIS 'L-peptide linking' y HISTIDINE                            ?                 'C6 H10 N3 O2 1'  156.162 
HOH non-polymer         . WATER                                ?                 'H2 O'            18.015  
ILE 'L-peptide linking' y ISOLEUCINE                           ?                 'C6 H13 N O2'     131.173 
K   non-polymer         . 'POTASSIUM ION'                      ?                 'K 1'             39.098  
LEU 'L-peptide linking' y LEUCINE                              ?                 'C6 H13 N O2'     131.173 
LYS 'L-peptide linking' y LYSINE                               ?                 'C6 H15 N2 O2 1'  147.195 
MET 'L-peptide linking' y METHIONINE                           ?                 'C5 H11 N O2 S'   149.211 
PHE 'L-peptide linking' y PHENYLALANINE                        ?                 'C9 H11 N O2'     165.189 
PRO 'L-peptide linking' y PROLINE                              ?                 'C5 H9 N O2'      115.130 
SER 'L-peptide linking' y SERINE                               ?                 'C3 H7 N O3'      105.093 
THR 'L-peptide linking' y THREONINE                            ?                 'C4 H9 N O3'      119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                           ?                 'C11 H12 N2 O2'   204.225 
TYR 'L-peptide linking' y TYROSINE                             ?                 'C9 H11 N O3'     181.189 
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   GLN 1   1   1   GLN GLN A . n 
A 1 2   VAL 2   2   2   VAL VAL A . n 
A 1 3   GLN 3   3   3   GLN GLN A . n 
A 1 4   LEU 4   4   4   LEU LEU A . n 
A 1 5   GLN 5   5   5   GLN GLN A . n 
A 1 6   GLU 6   6   6   GLU GLU A . n 
A 1 7   SER 7   7   7   SER SER A . n 
A 1 8   GLY 8   8   8   GLY GLY A . n 
A 1 9   GLY 9   9   9   GLY GLY A . n 
A 1 10  GLY 10  10  10  GLY GLY A . n 
A 1 11  LEU 11  11  11  LEU LEU A . n 
A 1 12  VAL 12  12  12  VAL VAL A . n 
A 1 13  GLN 13  13  13  GLN GLN A . n 
A 1 14  ALA 14  14  14  ALA ALA A . n 
A 1 15  GLY 15  15  15  GLY GLY A . n 
A 1 16  GLY 16  16  16  GLY GLY A . n 
A 1 17  SER 17  17  17  SER SER A . n 
A 1 18  LEU 18  18  18  LEU LEU A . n 
A 1 19  ARG 19  19  19  ARG ARG A . n 
A 1 20  LEU 20  20  20  LEU LEU A . n 
A 1 21  SER 21  21  21  SER SER A . n 
A 1 22  CYS 22  22  22  CYS CYS A . n 
A 1 23  ALA 23  23  23  ALA ALA A . n 
A 1 24  ALA 24  24  24  ALA ALA A . n 
A 1 25  SER 25  25  25  SER SER A . n 
A 1 26  GLY 26  26  26  GLY GLY A . n 
A 1 27  SER 27  27  27  SER SER A . n 
A 1 28  ARG 28  28  28  ARG ARG A . n 
A 1 29  PHE 29  29  29  PHE PHE A . n 
A 1 30  SER 30  30  30  SER SER A . n 
A 1 31  SER 31  31  31  SER SER A . n 
A 1 32  ASN 32  32  32  ASN ASN A . n 
A 1 33  THR 33  33  33  THR THR A . n 
A 1 34  MET 34  34  34  MET MET A . n 
A 1 35  THR 35  35  35  THR THR A . n 
A 1 36  TRP 36  36  36  TRP TRP A . n 
A 1 37  TYR 37  37  37  TYR TYR A . n 
A 1 38  ARG 38  38  38  ARG ARG A . n 
A 1 39  GLN 39  39  39  GLN GLN A . n 
A 1 40  ALA 40  40  40  ALA ALA A . n 
A 1 41  PRO 41  41  41  PRO PRO A . n 
A 1 42  GLY 42  42  42  GLY GLY A . n 
A 1 43  LYS 43  43  43  LYS LYS A . n 
A 1 44  GLN 44  44  44  GLN GLN A . n 
A 1 45  ARG 45  45  45  ARG ARG A . n 
A 1 46  GLU 46  46  46  GLU GLU A . n 
A 1 47  TRP 47  47  47  TRP TRP A . n 
A 1 48  VAL 48  48  48  VAL VAL A . n 
A 1 49  ALA 49  49  49  ALA ALA A . n 
A 1 50  THR 50  50  50  THR THR A . n 
A 1 51  MET 51  51  51  MET MET A . n 
A 1 52  ARG 52  52  52  ARG ARG A . n 
A 1 53  SER 53  53  53  SER SER A . n 
A 1 54  ILE 54  54  54  ILE ILE A . n 
A 1 55  GLY 55  55  55  GLY GLY A . n 
A 1 56  THR 56  56  56  THR THR A . n 
A 1 57  THR 57  57  57  THR THR A . n 
A 1 58  ARG 58  58  58  ARG ARG A . n 
A 1 59  TYR 59  59  59  TYR TYR A . n 
A 1 60  ALA 60  60  60  ALA ALA A . n 
A 1 61  SER 61  61  61  SER SER A . n 
A 1 62  SER 62  62  62  SER SER A . n 
A 1 63  VAL 63  63  63  VAL VAL A . n 
A 1 64  GLU 64  64  64  GLU GLU A . n 
A 1 65  GLY 65  65  65  GLY GLY A . n 
A 1 66  ARG 66  66  66  ARG ARG A . n 
A 1 67  PHE 67  67  67  PHE PHE A . n 
A 1 68  THR 68  68  68  THR THR A . n 
A 1 69  LEU 69  69  69  LEU LEU A . n 
A 1 70  SER 70  70  70  SER SER A . n 
A 1 71  ARG 71  71  71  ARG ARG A . n 
A 1 72  ASP 72  72  72  ASP ASP A . n 
A 1 73  ASN 73  73  73  ASN ASN A . n 
A 1 74  ALA 74  74  74  ALA ALA A . n 
A 1 75  LYS 75  75  75  LYS LYS A . n 
A 1 76  ASN 76  76  76  ASN ASN A . n 
A 1 77  THR 77  77  77  THR THR A . n 
A 1 78  VAL 78  78  78  VAL VAL A . n 
A 1 79  TYR 79  79  79  TYR TYR A . n 
A 1 80  LEU 80  80  80  LEU LEU A . n 
A 1 81  GLN 81  81  81  GLN GLN A . n 
A 1 82  MET 82  82  82  MET MET A . n 
A 1 83  ASN 83  83  83  ASN ASN A . n 
A 1 84  SER 84  84  84  SER SER A . n 
A 1 85  LEU 85  85  85  LEU LEU A . n 
A 1 86  LYS 86  86  86  LYS LYS A . n 
A 1 87  PRO 87  87  87  PRO PRO A . n 
A 1 88  GLU 88  88  88  GLU GLU A . n 
A 1 89  ASP 89  89  89  ASP ASP A . n 
A 1 90  THR 90  90  90  THR THR A . n 
A 1 91  ALA 91  91  91  ALA ALA A . n 
A 1 92  VAL 92  92  92  VAL VAL A . n 
A 1 93  TYR 93  93  93  TYR TYR A . n 
A 1 94  TYR 94  94  94  TYR TYR A . n 
A 1 95  CYS 95  95  95  CYS CYS A . n 
A 1 96  ASN 96  96  96  ASN ASN A . n 
A 1 97  LEU 97  97  97  LEU LEU A . n 
A 1 98  ARG 98  98  98  ARG ARG A . n 
A 1 99  ARG 99  99  99  ARG ARG A . n 
A 1 100 GLY 100 100 100 GLY GLY A . n 
A 1 101 GLY 101 101 101 GLY GLY A . n 
A 1 102 GLY 102 102 102 GLY GLY A . n 
A 1 103 ILE 103 103 103 ILE ILE A . n 
A 1 104 TYR 104 104 104 TYR TYR A . n 
A 1 105 TRP 105 105 105 TRP TRP A . n 
A 1 106 GLY 106 106 106 GLY GLY A . n 
A 1 107 GLN 107 107 107 GLN GLN A . n 
A 1 108 GLY 108 108 108 GLY GLY A . n 
A 1 109 THR 109 109 109 THR THR A . n 
A 1 110 GLN 110 110 110 GLN GLN A . n 
A 1 111 VAL 111 111 111 VAL VAL A . n 
A 1 112 THR 112 112 112 THR THR A . n 
A 1 113 VAL 113 113 113 VAL VAL A . n 
A 1 114 SER 114 114 114 SER SER A . n 
A 1 115 SER 115 115 115 SER SER A . n 
A 1 116 HIS 116 116 116 HIS HIS A . n 
A 1 117 HIS 117 117 ?   ?   ?   A . n 
A 1 118 HIS 118 118 ?   ?   ?   A . n 
A 1 119 HIS 119 119 ?   ?   ?   A . n 
A 1 120 HIS 120 120 ?   ?   ?   A . n 
A 1 121 HIS 121 121 ?   ?   ?   A . n 
B 1 1   GLN 1   1   ?   ?   ?   B . n 
B 1 2   VAL 2   2   ?   ?   ?   B . n 
B 1 3   GLN 3   3   3   GLN GLN B . n 
B 1 4   LEU 4   4   4   LEU LEU B . n 
B 1 5   GLN 5   5   5   GLN GLN B . n 
B 1 6   GLU 6   6   6   GLU GLU B . n 
B 1 7   SER 7   7   7   SER SER B . n 
B 1 8   GLY 8   8   8   GLY GLY B . n 
B 1 9   GLY 9   9   9   GLY GLY B . n 
B 1 10  GLY 10  10  10  GLY GLY B . n 
B 1 11  LEU 11  11  11  LEU LEU B . n 
B 1 12  VAL 12  12  12  VAL VAL B . n 
B 1 13  GLN 13  13  13  GLN GLN B . n 
B 1 14  ALA 14  14  14  ALA ALA B . n 
B 1 15  GLY 15  15  15  GLY GLY B . n 
B 1 16  GLY 16  16  16  GLY GLY B . n 
B 1 17  SER 17  17  17  SER SER B . n 
B 1 18  LEU 18  18  18  LEU LEU B . n 
B 1 19  ARG 19  19  19  ARG ARG B . n 
B 1 20  LEU 20  20  20  LEU LEU B . n 
B 1 21  SER 21  21  21  SER SER B . n 
B 1 22  CYS 22  22  22  CYS CYS B . n 
B 1 23  ALA 23  23  23  ALA ALA B . n 
B 1 24  ALA 24  24  24  ALA ALA B . n 
B 1 25  SER 25  25  25  SER SER B . n 
B 1 26  GLY 26  26  ?   ?   ?   B . n 
B 1 27  SER 27  27  ?   ?   ?   B . n 
B 1 28  ARG 28  28  ?   ?   ?   B . n 
B 1 29  PHE 29  29  ?   ?   ?   B . n 
B 1 30  SER 30  30  ?   ?   ?   B . n 
B 1 31  SER 31  31  ?   ?   ?   B . n 
B 1 32  ASN 32  32  32  ASN ASN B . n 
B 1 33  THR 33  33  33  THR THR B . n 
B 1 34  MET 34  34  34  MET MET B . n 
B 1 35  THR 35  35  35  THR THR B . n 
B 1 36  TRP 36  36  36  TRP TRP B . n 
B 1 37  TYR 37  37  37  TYR TYR B . n 
B 1 38  ARG 38  38  38  ARG ARG B . n 
B 1 39  GLN 39  39  39  GLN GLN B . n 
B 1 40  ALA 40  40  40  ALA ALA B . n 
B 1 41  PRO 41  41  41  PRO PRO B . n 
B 1 42  GLY 42  42  42  GLY GLY B . n 
B 1 43  LYS 43  43  43  LYS LYS B . n 
B 1 44  GLN 44  44  44  GLN GLN B . n 
B 1 45  ARG 45  45  45  ARG ARG B . n 
B 1 46  GLU 46  46  46  GLU GLU B . n 
B 1 47  TRP 47  47  47  TRP TRP B . n 
B 1 48  VAL 48  48  48  VAL VAL B . n 
B 1 49  ALA 49  49  49  ALA ALA B . n 
B 1 50  THR 50  50  50  THR THR B . n 
B 1 51  MET 51  51  51  MET MET B . n 
B 1 52  ARG 52  52  52  ARG ARG B . n 
B 1 53  SER 53  53  53  SER SER B . n 
B 1 54  ILE 54  54  54  ILE ILE B . n 
B 1 55  GLY 55  55  55  GLY GLY B . n 
B 1 56  THR 56  56  56  THR THR B . n 
B 1 57  THR 57  57  57  THR THR B . n 
B 1 58  ARG 58  58  58  ARG ARG B . n 
B 1 59  TYR 59  59  59  TYR TYR B . n 
B 1 60  ALA 60  60  60  ALA ALA B . n 
B 1 61  SER 61  61  61  SER SER B . n 
B 1 62  SER 62  62  62  SER SER B . n 
B 1 63  VAL 63  63  63  VAL VAL B . n 
B 1 64  GLU 64  64  64  GLU GLU B . n 
B 1 65  GLY 65  65  65  GLY GLY B . n 
B 1 66  ARG 66  66  66  ARG ARG B . n 
B 1 67  PHE 67  67  67  PHE PHE B . n 
B 1 68  THR 68  68  68  THR THR B . n 
B 1 69  LEU 69  69  69  LEU LEU B . n 
B 1 70  SER 70  70  70  SER SER B . n 
B 1 71  ARG 71  71  71  ARG ARG B . n 
B 1 72  ASP 72  72  72  ASP ASP B . n 
B 1 73  ASN 73  73  73  ASN ASN B . n 
B 1 74  ALA 74  74  74  ALA ALA B . n 
B 1 75  LYS 75  75  75  LYS LYS B . n 
B 1 76  ASN 76  76  76  ASN ASN B . n 
B 1 77  THR 77  77  77  THR THR B . n 
B 1 78  VAL 78  78  78  VAL VAL B . n 
B 1 79  TYR 79  79  79  TYR TYR B . n 
B 1 80  LEU 80  80  80  LEU LEU B . n 
B 1 81  GLN 81  81  81  GLN GLN B . n 
B 1 82  MET 82  82  82  MET MET B . n 
B 1 83  ASN 83  83  83  ASN ASN B . n 
B 1 84  SER 84  84  84  SER SER B . n 
B 1 85  LEU 85  85  85  LEU LEU B . n 
B 1 86  LYS 86  86  86  LYS LYS B . n 
B 1 87  PRO 87  87  87  PRO PRO B . n 
B 1 88  GLU 88  88  88  GLU GLU B . n 
B 1 89  ASP 89  89  89  ASP ASP B . n 
B 1 90  THR 90  90  90  THR THR B . n 
B 1 91  ALA 91  91  91  ALA ALA B . n 
B 1 92  VAL 92  92  92  VAL VAL B . n 
B 1 93  TYR 93  93  93  TYR TYR B . n 
B 1 94  TYR 94  94  94  TYR TYR B . n 
B 1 95  CYS 95  95  95  CYS CYS B . n 
B 1 96  ASN 96  96  96  ASN ASN B . n 
B 1 97  LEU 97  97  97  LEU LEU B . n 
B 1 98  ARG 98  98  98  ARG ARG B . n 
B 1 99  ARG 99  99  99  ARG ARG B . n 
B 1 100 GLY 100 100 100 GLY GLY B . n 
B 1 101 GLY 101 101 101 GLY GLY B . n 
B 1 102 GLY 102 102 102 GLY GLY B . n 
B 1 103 ILE 103 103 103 ILE ILE B . n 
B 1 104 TYR 104 104 104 TYR TYR B . n 
B 1 105 TRP 105 105 105 TRP TRP B . n 
B 1 106 GLY 106 106 106 GLY GLY B . n 
B 1 107 GLN 107 107 107 GLN GLN B . n 
B 1 108 GLY 108 108 108 GLY GLY B . n 
B 1 109 THR 109 109 109 THR THR B . n 
B 1 110 GLN 110 110 110 GLN GLN B . n 
B 1 111 VAL 111 111 111 VAL VAL B . n 
B 1 112 THR 112 112 112 THR THR B . n 
B 1 113 VAL 113 113 113 VAL VAL B . n 
B 1 114 SER 114 114 114 SER SER B . n 
B 1 115 SER 115 115 115 SER SER B . n 
B 1 116 HIS 116 116 ?   ?   ?   B . n 
B 1 117 HIS 117 117 ?   ?   ?   B . n 
B 1 118 HIS 118 118 ?   ?   ?   B . n 
B 1 119 HIS 119 119 ?   ?   ?   B . n 
B 1 120 HIS 120 120 ?   ?   ?   B . n 
B 1 121 HIS 121 121 ?   ?   ?   B . n 
C 2 1   DG  1   1   1   DG  DG  C . n 
C 2 2   DG  2   2   2   DG  DG  C . n 
C 2 3   DT  3   3   3   DT  DT  C . n 
C 2 4   DT  4   4   4   DT  DT  C . n 
C 2 5   DG  5   5   5   DG  DG  C . n 
C 2 6   DG  6   6   6   DG  DG  C . n 
C 2 7   DT  7   7   7   DT  DT  C . n 
C 2 8   DG  8   8   8   DG  DG  C . n 
C 2 9   DT  9   9   9   DT  DT  C . n 
C 2 10  DG  10  10  10  DG  DG  C . n 
C 2 11  DG  11  11  11  DG  DG  C . n 
C 2 12  DT  12  12  12  DT  DT  C . n 
C 2 13  DT  13  13  13  DT  DT  C . n 
C 2 14  DG  14  14  14  DG  DG  C . n 
C 2 15  DG  15  15  15  DG  DG  C . n 
D 2 1   DG  1   1   1   DG  DG  D . n 
D 2 2   DG  2   2   2   DG  DG  D . n 
D 2 3   DT  3   3   3   DT  DT  D . n 
D 2 4   DT  4   4   4   DT  DT  D . n 
D 2 5   DG  5   5   5   DG  DG  D . n 
D 2 6   DG  6   6   6   DG  DG  D . n 
D 2 7   DT  7   7   7   DT  DT  D . n 
D 2 8   DG  8   8   8   DG  DG  D . n 
D 2 9   DT  9   9   9   DT  DT  D . n 
D 2 10  DG  10  10  10  DG  DG  D . n 
D 2 11  DG  11  11  11  DG  DG  D . n 
D 2 12  DT  12  12  12  DT  DT  D . n 
D 2 13  DT  13  13  13  DT  DT  D . n 
D 2 14  DG  14  14  14  DG  DG  D . n 
D 2 15  DG  15  15  15  DG  DG  D . 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 
E 3 K   1   201 3   K   K   A . 
F 4 EDO 1   202 4   EDO EDO A . 
G 3 K   1   101 1   K   K   C . 
H 3 K   1   101 2   K   K   D . 
I 5 HOH 1   301 38  HOH HOH A . 
I 5 HOH 2   302 28  HOH HOH A . 
I 5 HOH 3   303 238 HOH HOH A . 
I 5 HOH 4   304 126 HOH HOH A . 
I 5 HOH 5   305 57  HOH HOH A . 
I 5 HOH 6   306 32  HOH HOH A . 
I 5 HOH 7   307 134 HOH HOH A . 
I 5 HOH 8   308 281 HOH HOH A . 
I 5 HOH 9   309 25  HOH HOH A . 
I 5 HOH 10  310 228 HOH HOH A . 
I 5 HOH 11  311 298 HOH HOH A . 
I 5 HOH 12  312 112 HOH HOH A . 
I 5 HOH 13  313 280 HOH HOH A . 
I 5 HOH 14  314 125 HOH HOH A . 
I 5 HOH 15  315 252 HOH HOH A . 
I 5 HOH 16  316 50  HOH HOH A . 
I 5 HOH 17  317 45  HOH HOH A . 
I 5 HOH 18  318 255 HOH HOH A . 
I 5 HOH 19  319 109 HOH HOH A . 
I 5 HOH 20  320 17  HOH HOH A . 
I 5 HOH 21  321 59  HOH HOH A . 
I 5 HOH 22  322 277 HOH HOH A . 
I 5 HOH 23  323 308 HOH HOH A . 
I 5 HOH 24  324 99  HOH HOH A . 
I 5 HOH 25  325 67  HOH HOH A . 
I 5 HOH 26  326 71  HOH HOH A . 
I 5 HOH 27  327 22  HOH HOH A . 
I 5 HOH 28  328 127 HOH HOH A . 
I 5 HOH 29  329 20  HOH HOH A . 
I 5 HOH 30  330 110 HOH HOH A . 
I 5 HOH 31  331 65  HOH HOH A . 
I 5 HOH 32  332 63  HOH HOH A . 
I 5 HOH 33  333 49  HOH HOH A . 
I 5 HOH 34  334 29  HOH HOH A . 
I 5 HOH 35  335 152 HOH HOH A . 
I 5 HOH 36  336 164 HOH HOH A . 
I 5 HOH 37  337 230 HOH HOH A . 
I 5 HOH 38  338 8   HOH HOH A . 
I 5 HOH 39  339 39  HOH HOH A . 
I 5 HOH 40  340 158 HOH HOH A . 
I 5 HOH 41  341 2   HOH HOH A . 
I 5 HOH 42  342 42  HOH HOH A . 
I 5 HOH 43  343 217 HOH HOH A . 
I 5 HOH 44  344 239 HOH HOH A . 
I 5 HOH 45  345 161 HOH HOH A . 
I 5 HOH 46  346 218 HOH HOH A . 
I 5 HOH 47  347 77  HOH HOH A . 
I 5 HOH 48  348 90  HOH HOH A . 
I 5 HOH 49  349 27  HOH HOH A . 
I 5 HOH 50  350 78  HOH HOH A . 
I 5 HOH 51  351 276 HOH HOH A . 
I 5 HOH 52  352 108 HOH HOH A . 
I 5 HOH 53  353 30  HOH HOH A . 
I 5 HOH 54  354 16  HOH HOH A . 
I 5 HOH 55  355 14  HOH HOH A . 
I 5 HOH 56  356 173 HOH HOH A . 
I 5 HOH 57  357 192 HOH HOH A . 
I 5 HOH 58  358 140 HOH HOH A . 
I 5 HOH 59  359 355 HOH HOH A . 
I 5 HOH 60  360 159 HOH HOH A . 
I 5 HOH 61  361 187 HOH HOH A . 
I 5 HOH 62  362 36  HOH HOH A . 
I 5 HOH 63  363 201 HOH HOH A . 
I 5 HOH 64  364 115 HOH HOH A . 
I 5 HOH 65  365 222 HOH HOH A . 
I 5 HOH 66  366 120 HOH HOH A . 
I 5 HOH 67  367 285 HOH HOH A . 
I 5 HOH 68  368 75  HOH HOH A . 
I 5 HOH 69  369 128 HOH HOH A . 
I 5 HOH 70  370 64  HOH HOH A . 
I 5 HOH 71  371 341 HOH HOH A . 
I 5 HOH 72  372 143 HOH HOH A . 
I 5 HOH 73  373 40  HOH HOH A . 
I 5 HOH 74  374 179 HOH HOH A . 
I 5 HOH 75  375 176 HOH HOH A . 
I 5 HOH 76  376 47  HOH HOH A . 
I 5 HOH 77  377 9   HOH HOH A . 
I 5 HOH 78  378 88  HOH HOH A . 
I 5 HOH 79  379 62  HOH HOH A . 
I 5 HOH 80  380 227 HOH HOH A . 
I 5 HOH 81  381 185 HOH HOH A . 
I 5 HOH 82  382 12  HOH HOH A . 
I 5 HOH 83  383 82  HOH HOH A . 
I 5 HOH 84  384 270 HOH HOH A . 
I 5 HOH 85  385 183 HOH HOH A . 
I 5 HOH 86  386 213 HOH HOH A . 
I 5 HOH 87  387 294 HOH HOH A . 
I 5 HOH 88  388 262 HOH HOH A . 
I 5 HOH 89  389 353 HOH HOH A . 
I 5 HOH 90  390 186 HOH HOH A . 
I 5 HOH 91  391 212 HOH HOH A . 
I 5 HOH 92  392 73  HOH HOH A . 
I 5 HOH 93  393 327 HOH HOH A . 
I 5 HOH 94  394 224 HOH HOH A . 
I 5 HOH 95  395 279 HOH HOH A . 
I 5 HOH 96  396 288 HOH HOH A . 
I 5 HOH 97  397 68  HOH HOH A . 
I 5 HOH 98  398 256 HOH HOH A . 
I 5 HOH 99  399 70  HOH HOH A . 
I 5 HOH 100 400 153 HOH HOH A . 
I 5 HOH 101 401 31  HOH HOH A . 
I 5 HOH 102 402 223 HOH HOH A . 
I 5 HOH 103 403 181 HOH HOH A . 
I 5 HOH 104 404 264 HOH HOH A . 
I 5 HOH 105 405 367 HOH HOH A . 
I 5 HOH 106 406 18  HOH HOH A . 
I 5 HOH 107 407 76  HOH HOH A . 
I 5 HOH 108 408 244 HOH HOH A . 
I 5 HOH 109 409 124 HOH HOH A . 
I 5 HOH 110 410 253 HOH HOH A . 
I 5 HOH 111 411 130 HOH HOH A . 
I 5 HOH 112 412 225 HOH HOH A . 
I 5 HOH 113 413 317 HOH HOH A . 
I 5 HOH 114 414 304 HOH HOH A . 
I 5 HOH 115 415 250 HOH HOH A . 
I 5 HOH 116 416 368 HOH HOH A . 
I 5 HOH 117 417 204 HOH HOH A . 
I 5 HOH 118 418 331 HOH HOH A . 
I 5 HOH 119 419 166 HOH HOH A . 
I 5 HOH 120 420 307 HOH HOH A . 
I 5 HOH 121 421 316 HOH HOH A . 
I 5 HOH 122 422 100 HOH HOH A . 
I 5 HOH 123 423 314 HOH HOH A . 
I 5 HOH 124 424 200 HOH HOH A . 
I 5 HOH 125 425 369 HOH HOH A . 
I 5 HOH 126 426 122 HOH HOH A . 
I 5 HOH 127 427 265 HOH HOH A . 
I 5 HOH 128 428 377 HOH HOH A . 
I 5 HOH 129 429 287 HOH HOH A . 
I 5 HOH 130 430 259 HOH HOH A . 
I 5 HOH 131 431 106 HOH HOH A . 
I 5 HOH 132 432 318 HOH HOH A . 
I 5 HOH 133 433 202 HOH HOH A . 
I 5 HOH 134 434 349 HOH HOH A . 
I 5 HOH 135 435 312 HOH HOH A . 
I 5 HOH 136 436 324 HOH HOH A . 
I 5 HOH 137 437 94  HOH HOH A . 
I 5 HOH 138 438 208 HOH HOH A . 
I 5 HOH 139 439 249 HOH HOH A . 
I 5 HOH 140 440 356 HOH HOH A . 
I 5 HOH 141 441 211 HOH HOH A . 
I 5 HOH 142 442 342 HOH HOH A . 
I 5 HOH 143 443 251 HOH HOH A . 
I 5 HOH 144 444 266 HOH HOH A . 
J 5 HOH 1   201 267 HOH HOH B . 
J 5 HOH 2   202 303 HOH HOH B . 
J 5 HOH 3   203 219 HOH HOH B . 
J 5 HOH 4   204 56  HOH HOH B . 
J 5 HOH 5   205 149 HOH HOH B . 
J 5 HOH 6   206 240 HOH HOH B . 
J 5 HOH 7   207 146 HOH HOH B . 
J 5 HOH 8   208 205 HOH HOH B . 
J 5 HOH 9   209 97  HOH HOH B . 
J 5 HOH 10  210 278 HOH HOH B . 
J 5 HOH 11  211 156 HOH HOH B . 
J 5 HOH 12  212 191 HOH HOH B . 
J 5 HOH 13  213 105 HOH HOH B . 
J 5 HOH 14  214 132 HOH HOH B . 
J 5 HOH 15  215 46  HOH HOH B . 
J 5 HOH 16  216 119 HOH HOH B . 
J 5 HOH 17  217 54  HOH HOH B . 
J 5 HOH 18  218 282 HOH HOH B . 
J 5 HOH 19  219 19  HOH HOH B . 
J 5 HOH 20  220 1   HOH HOH B . 
J 5 HOH 21  221 13  HOH HOH B . 
J 5 HOH 22  222 361 HOH HOH B . 
J 5 HOH 23  223 295 HOH HOH B . 
J 5 HOH 24  224 83  HOH HOH B . 
J 5 HOH 25  225 232 HOH HOH B . 
J 5 HOH 26  226 198 HOH HOH B . 
J 5 HOH 27  227 167 HOH HOH B . 
J 5 HOH 28  228 79  HOH HOH B . 
J 5 HOH 29  229 80  HOH HOH B . 
J 5 HOH 30  230 194 HOH HOH B . 
J 5 HOH 31  231 103 HOH HOH B . 
J 5 HOH 32  232 236 HOH HOH B . 
J 5 HOH 33  233 7   HOH HOH B . 
J 5 HOH 34  234 58  HOH HOH B . 
J 5 HOH 35  235 370 HOH HOH B . 
J 5 HOH 36  236 169 HOH HOH B . 
J 5 HOH 37  237 142 HOH HOH B . 
J 5 HOH 38  238 93  HOH HOH B . 
J 5 HOH 39  239 55  HOH HOH B . 
J 5 HOH 40  240 363 HOH HOH B . 
J 5 HOH 41  241 41  HOH HOH B . 
J 5 HOH 42  242 172 HOH HOH B . 
J 5 HOH 43  243 234 HOH HOH B . 
J 5 HOH 44  244 135 HOH HOH B . 
J 5 HOH 45  245 34  HOH HOH B . 
J 5 HOH 46  246 74  HOH HOH B . 
J 5 HOH 47  247 133 HOH HOH B . 
J 5 HOH 48  248 114 HOH HOH B . 
J 5 HOH 49  249 147 HOH HOH B . 
J 5 HOH 50  250 104 HOH HOH B . 
J 5 HOH 51  251 136 HOH HOH B . 
J 5 HOH 52  252 160 HOH HOH B . 
J 5 HOH 53  253 177 HOH HOH B . 
J 5 HOH 54  254 178 HOH HOH B . 
J 5 HOH 55  255 121 HOH HOH B . 
J 5 HOH 56  256 199 HOH HOH B . 
J 5 HOH 57  257 151 HOH HOH B . 
J 5 HOH 58  258 334 HOH HOH B . 
J 5 HOH 59  259 60  HOH HOH B . 
J 5 HOH 60  260 275 HOH HOH B . 
J 5 HOH 61  261 357 HOH HOH B . 
J 5 HOH 62  262 96  HOH HOH B . 
J 5 HOH 63  263 162 HOH HOH B . 
J 5 HOH 64  264 102 HOH HOH B . 
J 5 HOH 65  265 53  HOH HOH B . 
J 5 HOH 66  266 337 HOH HOH B . 
J 5 HOH 67  267 310 HOH HOH B . 
J 5 HOH 68  268 61  HOH HOH B . 
J 5 HOH 69  269 350 HOH HOH B . 
J 5 HOH 70  270 271 HOH HOH B . 
J 5 HOH 71  271 154 HOH HOH B . 
J 5 HOH 72  272 301 HOH HOH B . 
J 5 HOH 73  273 237 HOH HOH B . 
J 5 HOH 74  274 175 HOH HOH B . 
J 5 HOH 75  275 269 HOH HOH B . 
J 5 HOH 76  276 358 HOH HOH B . 
J 5 HOH 77  277 323 HOH HOH B . 
J 5 HOH 78  278 243 HOH HOH B . 
J 5 HOH 79  279 248 HOH HOH B . 
J 5 HOH 80  280 241 HOH HOH B . 
J 5 HOH 81  281 320 HOH HOH B . 
J 5 HOH 82  282 207 HOH HOH B . 
J 5 HOH 83  283 220 HOH HOH B . 
J 5 HOH 84  284 235 HOH HOH B . 
J 5 HOH 85  285 374 HOH HOH B . 
J 5 HOH 86  286 216 HOH HOH B . 
J 5 HOH 87  287 375 HOH HOH B . 
J 5 HOH 88  288 336 HOH HOH B . 
J 5 HOH 89  289 210 HOH HOH B . 
J 5 HOH 90  290 329 HOH HOH B . 
J 5 HOH 91  291 168 HOH HOH B . 
J 5 HOH 92  292 293 HOH HOH B . 
J 5 HOH 93  293 365 HOH HOH B . 
K 5 HOH 1   201 258 HOH HOH C . 
K 5 HOH 2   202 98  HOH HOH C . 
K 5 HOH 3   203 195 HOH HOH C . 
K 5 HOH 4   204 144 HOH HOH C . 
K 5 HOH 5   205 188 HOH HOH C . 
K 5 HOH 6   206 37  HOH HOH C . 
K 5 HOH 7   207 321 HOH HOH C . 
K 5 HOH 8   208 131 HOH HOH C . 
K 5 HOH 9   209 15  HOH HOH C . 
K 5 HOH 10  210 117 HOH HOH C . 
K 5 HOH 11  211 330 HOH HOH C . 
K 5 HOH 12  212 107 HOH HOH C . 
K 5 HOH 13  213 209 HOH HOH C . 
K 5 HOH 14  214 231 HOH HOH C . 
K 5 HOH 15  215 196 HOH HOH C . 
K 5 HOH 16  216 33  HOH HOH C . 
K 5 HOH 17  217 111 HOH HOH C . 
K 5 HOH 18  218 182 HOH HOH C . 
K 5 HOH 19  219 129 HOH HOH C . 
K 5 HOH 20  220 289 HOH HOH C . 
K 5 HOH 21  221 203 HOH HOH C . 
K 5 HOH 22  222 174 HOH HOH C . 
K 5 HOH 23  223 155 HOH HOH C . 
K 5 HOH 24  224 4   HOH HOH C . 
K 5 HOH 25  225 51  HOH HOH C . 
K 5 HOH 26  226 72  HOH HOH C . 
K 5 HOH 27  227 52  HOH HOH C . 
K 5 HOH 28  228 315 HOH HOH C . 
K 5 HOH 29  229 290 HOH HOH C . 
K 5 HOH 30  230 145 HOH HOH C . 
K 5 HOH 31  231 257 HOH HOH C . 
K 5 HOH 32  232 189 HOH HOH C . 
K 5 HOH 33  233 163 HOH HOH C . 
K 5 HOH 34  234 246 HOH HOH C . 
K 5 HOH 35  235 229 HOH HOH C . 
K 5 HOH 36  236 165 HOH HOH C . 
K 5 HOH 37  237 233 HOH HOH C . 
K 5 HOH 38  238 359 HOH HOH C . 
K 5 HOH 39  239 371 HOH HOH C . 
K 5 HOH 40  240 284 HOH HOH C . 
K 5 HOH 41  241 299 HOH HOH C . 
K 5 HOH 42  242 95  HOH HOH C . 
K 5 HOH 43  243 376 HOH HOH C . 
K 5 HOH 44  244 372 HOH HOH C . 
K 5 HOH 45  245 302 HOH HOH C . 
K 5 HOH 46  246 245 HOH HOH C . 
K 5 HOH 47  247 328 HOH HOH C . 
K 5 HOH 48  248 226 HOH HOH C . 
K 5 HOH 49  249 343 HOH HOH C . 
L 5 HOH 1   201 373 HOH HOH D . 
L 5 HOH 2   202 26  HOH HOH D . 
L 5 HOH 3   203 113 HOH HOH D . 
L 5 HOH 4   204 170 HOH HOH D . 
L 5 HOH 5   205 6   HOH HOH D . 
L 5 HOH 6   206 91  HOH HOH D . 
L 5 HOH 7   207 89  HOH HOH D . 
L 5 HOH 8   208 137 HOH HOH D . 
L 5 HOH 9   209 348 HOH HOH D . 
L 5 HOH 10  210 260 HOH HOH D . 
L 5 HOH 11  211 11  HOH HOH D . 
L 5 HOH 12  212 283 HOH HOH D . 
L 5 HOH 13  213 101 HOH HOH D . 
L 5 HOH 14  214 180 HOH HOH D . 
L 5 HOH 15  215 92  HOH HOH D . 
L 5 HOH 16  216 118 HOH HOH D . 
L 5 HOH 17  217 85  HOH HOH D . 
L 5 HOH 18  218 242 HOH HOH D . 
L 5 HOH 19  219 21  HOH HOH D . 
L 5 HOH 20  220 141 HOH HOH D . 
L 5 HOH 21  221 305 HOH HOH D . 
L 5 HOH 22  222 86  HOH HOH D . 
L 5 HOH 23  223 3   HOH HOH D . 
L 5 HOH 24  224 23  HOH HOH D . 
L 5 HOH 25  225 272 HOH HOH D . 
L 5 HOH 26  226 123 HOH HOH D . 
L 5 HOH 27  227 206 HOH HOH D . 
L 5 HOH 28  228 261 HOH HOH D . 
L 5 HOH 29  229 306 HOH HOH D . 
L 5 HOH 30  230 268 HOH HOH D . 
L 5 HOH 31  231 5   HOH HOH D . 
L 5 HOH 32  232 81  HOH HOH D . 
L 5 HOH 33  233 84  HOH HOH D . 
L 5 HOH 34  234 296 HOH HOH D . 
L 5 HOH 35  235 10  HOH HOH D . 
L 5 HOH 36  236 221 HOH HOH D . 
L 5 HOH 37  237 325 HOH HOH D . 
L 5 HOH 38  238 44  HOH HOH D . 
L 5 HOH 39  239 116 HOH HOH D . 
L 5 HOH 40  240 66  HOH HOH D . 
L 5 HOH 41  241 43  HOH HOH D . 
L 5 HOH 42  242 24  HOH HOH D . 
L 5 HOH 43  243 35  HOH HOH D . 
L 5 HOH 44  244 247 HOH HOH D . 
L 5 HOH 45  245 48  HOH HOH D . 
L 5 HOH 46  246 171 HOH HOH D . 
L 5 HOH 47  247 157 HOH HOH D . 
L 5 HOH 48  248 150 HOH HOH D . 
L 5 HOH 49  249 273 HOH HOH D . 
L 5 HOH 50  250 335 HOH HOH D . 
L 5 HOH 51  251 197 HOH HOH D . 
L 5 HOH 52  252 87  HOH HOH D . 
L 5 HOH 53  253 139 HOH HOH D . 
L 5 HOH 54  254 313 HOH HOH D . 
L 5 HOH 55  255 362 HOH HOH D . 
L 5 HOH 56  256 254 HOH HOH D . 
L 5 HOH 57  257 148 HOH HOH D . 
L 5 HOH 58  258 319 HOH HOH D . 
L 5 HOH 59  259 193 HOH HOH D . 
# 
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 GLN 1   ? CG  ? A GLN 1   CG  
2  1 Y 1 A GLN 1   ? CD  ? A GLN 1   CD  
3  1 Y 1 A GLN 1   ? OE1 ? A GLN 1   OE1 
4  1 Y 1 A GLN 1   ? NE2 ? A GLN 1   NE2 
5  1 Y 1 A HIS 116 ? CG  ? A HIS 116 CG  
6  1 Y 1 A HIS 116 ? ND1 ? A HIS 116 ND1 
7  1 Y 1 A HIS 116 ? CD2 ? A HIS 116 CD2 
8  1 Y 1 A HIS 116 ? CE1 ? A HIS 116 CE1 
9  1 Y 1 A HIS 116 ? NE2 ? A HIS 116 NE2 
10 1 Y 1 B GLU 64  ? CG  ? B GLU 64  CG  
11 1 Y 1 B GLU 64  ? CD  ? B GLU 64  CD  
12 1 Y 1 B GLU 64  ? OE1 ? B GLU 64  OE1 
13 1 Y 1 B GLU 64  ? OE2 ? B GLU 64  OE2 
14 1 Y 1 B ASN 73  ? CG  ? B ASN 73  CG  
15 1 Y 1 B ASN 73  ? OD1 ? B ASN 73  OD1 
16 1 Y 1 B ASN 73  ? ND2 ? B ASN 73  ND2 
17 1 Y 1 B ARG 98  ? CG  ? B ARG 98  CG  
18 1 Y 1 B ARG 98  ? CD  ? B ARG 98  CD  
19 1 Y 1 B ARG 98  ? NE  ? B ARG 98  NE  
20 1 Y 1 B ARG 98  ? CZ  ? B ARG 98  CZ  
21 1 Y 1 B ARG 98  ? NH1 ? B ARG 98  NH1 
22 1 Y 1 B ARG 98  ? NH2 ? B ARG 98  NH2 
23 1 Y 1 B ARG 99  ? CG  ? B ARG 99  CG  
24 1 Y 1 B ARG 99  ? CD  ? B ARG 99  CD  
25 1 Y 1 B ARG 99  ? NE  ? B ARG 99  NE  
26 1 Y 1 B ARG 99  ? CZ  ? B ARG 99  CZ  
27 1 Y 1 B ARG 99  ? NH1 ? B ARG 99  NH1 
28 1 Y 1 B ARG 99  ? NH2 ? B ARG 99  NH2 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX    ? ? ? '(1.12_2829: ???)'      1 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? STARANISO ? ? ? 'anisotropy correction' 2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS       ? ? ? .                       3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER    ? ? ? .                       4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   95.79 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9GXH 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     36.284 
_cell.length_a_esd                 ? 
_cell.length_b                     59.331 
_cell.length_b_esd                 ? 
_cell.length_c                     70.625 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        4 
_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                         9GXH 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                4 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 1 21 1' 
_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                   9GXH 
_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             2.08 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          40.91 
_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, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              4.2 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    
;0.2 M Sodium chloride, 0.1 M Phosphate/citrate, pH = 4.2, 20 % w/v PEG 8000 
cryosoak: same solution with 30% glycerol
;
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            298 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER X 16M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-12-12 
_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   0.978565 
_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                        'SOLEIL BEAMLINE PROXIMA 1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.978565 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   'PROXIMA 1' 
_diffrn_source.pdbx_synchrotron_site       SOLEIL 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9GXH 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.39 
_reflns.d_resolution_low                               70.26 
_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                                     43889 
_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                           72.7 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                5.8 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          6.8 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               0.85 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.152 
_reflns.pdbx_Rpim_I_all                                0.061 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       253447 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.990 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.138 
_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                                    1.39 
_reflns_shell.d_res_low                                     1.46 
_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                             1022 
_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                               2.4 
_reflns_shell.pdbx_chi_squared                              0.67 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               4.567 
_reflns_shell.pdbx_Rpim_I_all                               2.682 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.109 
_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                                  3.649 
_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                                 9GXH 
_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                            1.900 
_refine.ls_d_res_low                             45.332 
_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                     23145 
_refine.ls_number_reflns_R_free                  2000 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    97.89 
_refine.ls_percent_reflns_R_free                 8.64 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1581 
_refine.ls_R_factor_R_free                       0.1985 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1542 
_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             1.11 
_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                 19.73 
_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                            0.18 
_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                       1.900 
_refine_hist.d_res_low                        45.332 
_refine_hist.number_atoms_solvent             345 
_refine_hist.number_atoms_total               2668 
_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        1686 
_refine_hist.pdbx_number_atoms_nucleic_acid   630 
_refine_hist.pdbx_number_atoms_ligand         7 
_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  ? 2567 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.973  ? 3615 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 20.823 ? 1387 ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.055  ? 392  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.005  ? 350  ? 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' 1.9000 1.9475 . . 143 1513 100.00 . . . . 0.1732 . . . . . . . . . . . 0.2238 
'X-RAY DIFFRACTION' 1.9475 2.0002 . . 147 1562 100.00 . . . . 0.1674 . . . . . . . . . . . 0.2205 
'X-RAY DIFFRACTION' 2.0002 2.0591 . . 144 1511 100.00 . . . . 0.1593 . . . . . . . . . . . 0.2016 
'X-RAY DIFFRACTION' 2.0591 2.1255 . . 146 1543 100.00 . . . . 0.1673 . . . . . . . . . . . 0.2380 
'X-RAY DIFFRACTION' 2.1255 2.2015 . . 143 1517 100.00 . . . . 0.1619 . . . . . . . . . . . 0.2356 
'X-RAY DIFFRACTION' 2.2015 2.2896 . . 147 1553 100.00 . . . . 0.1713 . . . . . . . . . . . 0.2498 
'X-RAY DIFFRACTION' 2.2896 2.3938 . . 145 1529 100.00 . . . . 0.1639 . . . . . . . . . . . 0.2337 
'X-RAY DIFFRACTION' 2.3938 2.5200 . . 144 1534 100.00 . . . . 0.1751 . . . . . . . . . . . 0.2504 
'X-RAY DIFFRACTION' 2.5200 2.6779 . . 127 1347 87.00  . . . . 0.1746 . . . . . . . . . . . 0.2395 
'X-RAY DIFFRACTION' 2.6779 2.8846 . . 145 1527 100.00 . . . . 0.1596 . . . . . . . . . . . 0.2155 
'X-RAY DIFFRACTION' 2.8846 3.1748 . . 146 1542 100.00 . . . . 0.1649 . . . . . . . . . . . 0.1939 
'X-RAY DIFFRACTION' 3.1748 3.6341 . . 133 1408 90.00  . . . . 0.1310 . . . . . . . . . . . 0.1619 
'X-RAY DIFFRACTION' 3.6341 4.5779 . . 140 1481 95.00  . . . . 0.1191 . . . . . . . . . . . 0.1465 
'X-RAY DIFFRACTION' 4.5779 45.332 . . 150 1578 100.00 . . . . 0.1502 . . . . . . . . . . . 0.1624 
# 
_struct.entry_id                     9GXH 
_struct.title                        'Nanobody bound to TBA G-quadruplex' 
_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        9GXH 
_struct_keywords.text            'G-quadruplex, DNA, thrombin, nanobody, thrombin-binding aptamer, TBA, IMMUNE SYSTEM' 
_struct_keywords.pdbx_keywords   'IMMUNE SYSTEM' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 1 ? 
C N N 2 ? 
D N N 2 ? 
E N N 3 ? 
F N N 4 ? 
G N N 3 ? 
H N N 3 ? 
I N N 5 ? 
J N N 5 ? 
K N N 5 ? 
L N N 5 ? 
# 
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 PDB 9GXH 9GXH ? 1 ? 1 
2 PDB 9GXH 9GXH ? 2 ? 1 
# 
loop_
_struct_ref_seq.align_id 
_struct_ref_seq.ref_id 
_struct_ref_seq.pdbx_PDB_id_code 
_struct_ref_seq.pdbx_strand_id 
_struct_ref_seq.seq_align_beg 
_struct_ref_seq.pdbx_seq_align_beg_ins_code 
_struct_ref_seq.seq_align_end 
_struct_ref_seq.pdbx_seq_align_end_ins_code 
_struct_ref_seq.pdbx_db_accession 
_struct_ref_seq.db_align_beg 
_struct_ref_seq.pdbx_db_align_beg_ins_code 
_struct_ref_seq.db_align_end 
_struct_ref_seq.pdbx_db_align_end_ins_code 
_struct_ref_seq.pdbx_auth_seq_align_beg 
_struct_ref_seq.pdbx_auth_seq_align_end 
1 1 9GXH A 1 ? 121 ? 9GXH 1 ? 121 ? 1 121 
2 1 9GXH B 1 ? 121 ? 9GXH 1 ? 121 ? 1 121 
3 2 9GXH C 1 ? 15  ? 9GXH 1 ? 15  ? 1 15  
4 2 9GXH D 1 ? 15  ? 9GXH 1 ? 15  ? 1 15  
# 
loop_
_pdbx_struct_assembly.id 
_pdbx_struct_assembly.details 
_pdbx_struct_assembly.method_details 
_pdbx_struct_assembly.oligomeric_details 
_pdbx_struct_assembly.oligomeric_count 
1 author_defined_assembly ? dimeric 2 
2 author_defined_assembly ? dimeric 2 
# 
loop_
_pdbx_struct_assembly_gen.assembly_id 
_pdbx_struct_assembly_gen.oper_expression 
_pdbx_struct_assembly_gen.asym_id_list 
1 1 A,E,F,I   
1 2 C,G,K     
2 1 B,D,H,J,L 
# 
_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                'chains B and D form biological assembly' 
# 
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' 2_645 -x+1,y-1/2,-z -1.0000000000 0.0000000000 0.0000000000 36.2840000000 0.0000000000 1.0000000000 
0.0000000000 -29.6655000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 
# 
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 ARG A 28 ? ASN A 32 ? ARG A 28 ASN A 32 5 ? 5 
HELX_P HELX_P2 AA2 LYS A 86 ? THR A 90 ? LYS A 86 THR A 90 5 ? 5 
HELX_P HELX_P3 AA3 LYS B 86 ? THR B 90 ? LYS B 86 THR B 90 5 ? 5 
# 
_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 
disulf1  disulf ? ? A CYS 22 SG ? ? ? 1_555 A CYS 95 SG ? ? A CYS 22  A CYS 95  1_555 ? ? ? ? ? ? ?           2.055 ? ? 
disulf2  disulf ? ? B CYS 22 SG ? ? ? 1_555 B CYS 95 SG ? ? B CYS 22  B CYS 95  1_555 ? ? ? ? ? ? ?           2.055 ? ? 
metalc1  metalc ? ? E K   .  K  ? ? ? 1_555 I HOH .  O  ? ? A K   201 A HOH 363 1_555 ? ? ? ? ? ? ?           3.206 ? ? 
metalc2  metalc ? ? E K   .  K  ? ? ? 1_555 I HOH .  O  ? ? A K   201 A HOH 395 1_555 ? ? ? ? ? ? ?           3.392 ? ? 
metalc3  metalc ? ? C DG  1  O6 A ? ? 1_555 G K   .  K  ? ? C DG  1   C K   101 1_555 ? ? ? ? ? ? ?           2.630 ? ? 
metalc4  metalc ? ? C DG  1  O6 B ? ? 1_555 G K   .  K  ? ? C DG  1   C K   101 1_555 ? ? ? ? ? ? ?           2.664 ? ? 
metalc5  metalc ? ? C DG  2  O6 ? ? ? 1_555 G K   .  K  ? ? C DG  2   C K   101 1_555 ? ? ? ? ? ? ?           2.921 ? ? 
metalc6  metalc ? ? C DG  5  O6 ? ? ? 1_555 G K   .  K  ? ? C DG  5   C K   101 1_555 ? ? ? ? ? ? ?           2.710 ? ? 
metalc7  metalc ? ? C DG  6  O6 ? ? ? 1_555 G K   .  K  ? ? C DG  6   C K   101 1_555 ? ? ? ? ? ? ?           2.740 ? ? 
metalc8  metalc ? ? C DG  10 O6 ? ? ? 1_555 G K   .  K  ? ? C DG  10  C K   101 1_555 ? ? ? ? ? ? ?           2.762 ? ? 
metalc9  metalc ? ? C DG  11 O6 ? ? ? 1_555 G K   .  K  ? ? C DG  11  C K   101 1_555 ? ? ? ? ? ? ?           2.812 ? ? 
metalc10 metalc ? ? C DG  14 O6 ? ? ? 1_555 G K   .  K  ? ? C DG  14  C K   101 1_555 ? ? ? ? ? ? ?           2.834 ? ? 
metalc11 metalc ? ? C DG  15 O6 ? ? ? 1_555 G K   .  K  ? ? C DG  15  C K   101 1_555 ? ? ? ? ? ? ?           2.645 ? ? 
metalc12 metalc ? ? D DG  1  O6 A ? ? 1_555 H K   .  K  ? ? D DG  1   D K   101 1_555 ? ? ? ? ? ? ?           2.643 ? ? 
metalc13 metalc ? ? D DG  1  O6 B ? ? 1_555 H K   .  K  ? ? D DG  1   D K   101 1_555 ? ? ? ? ? ? ?           2.739 ? ? 
metalc14 metalc ? ? D DG  2  O6 ? ? ? 1_555 H K   .  K  ? ? D DG  2   D K   101 1_555 ? ? ? ? ? ? ?           3.011 ? ? 
metalc15 metalc ? ? D DG  5  O6 ? ? ? 1_555 H K   .  K  ? ? D DG  5   D K   101 1_555 ? ? ? ? ? ? ?           2.736 ? ? 
metalc16 metalc ? ? D DG  6  O6 ? ? ? 1_555 H K   .  K  ? ? D DG  6   D K   101 1_555 ? ? ? ? ? ? ?           2.783 ? ? 
metalc17 metalc ? ? D DG  10 O6 ? ? ? 1_555 H K   .  K  ? ? D DG  10  D K   101 1_555 ? ? ? ? ? ? ?           2.692 ? ? 
metalc18 metalc ? ? D DG  11 O6 ? ? ? 1_555 H K   .  K  ? ? D DG  11  D K   101 1_555 ? ? ? ? ? ? ?           2.701 ? ? 
metalc19 metalc ? ? D DG  14 O6 ? ? ? 1_555 H K   .  K  ? ? D DG  14  D K   101 1_555 ? ? ? ? ? ? ?           2.851 ? ? 
metalc20 metalc ? ? D DG  15 O6 ? ? ? 1_555 H K   .  K  ? ? D DG  15  D K   101 1_555 ? ? ? ? ? ? ?           2.679 ? ? 
hydrog1  hydrog ? ? C DG  1  N1 A ? ? 1_555 C DG  6  O6 ? ? C DG  1   C DG  6   1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog2  hydrog ? ? C DG  1  N1 B ? ? 1_555 C DG  6  O6 ? ? C DG  1   C DG  6   1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog3  hydrog ? ? C DG  1  N2 A ? ? 1_555 C DG  6  N7 ? ? C DG  1   C DG  6   1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog4  hydrog ? ? C DG  1  N2 B ? ? 1_555 C DG  6  N7 ? ? C DG  1   C DG  6   1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog5  hydrog ? ? C DG  1  N7 A ? ? 1_555 C DG  15 N2 ? ? C DG  1   C DG  15  1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog6  hydrog ? ? C DG  1  N7 B ? ? 1_555 C DG  15 N2 ? ? C DG  1   C DG  15  1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog7  hydrog ? ? C DG  1  O6 A ? ? 1_555 C DG  15 N1 ? ? C DG  1   C DG  15  1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog8  hydrog ? ? C DG  1  O6 B ? ? 1_555 C DG  15 N1 ? ? C DG  1   C DG  15  1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog9  hydrog ? ? C DG  2  N7 ? ? ? 1_555 C DG  5  N2 ? ? C DG  2   C DG  5   1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog10 hydrog ? ? C DG  2  O6 ? ? ? 1_555 C DG  5  N1 ? ? C DG  2   C DG  5   1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog11 hydrog ? ? C DG  2  N1 ? ? ? 1_555 C DG  14 O6 ? ? C DG  2   C DG  14  1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog12 hydrog ? ? C DG  2  N2 ? ? ? 1_555 C DG  14 N7 ? ? C DG  2   C DG  14  1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog13 hydrog ? ? C DG  5  N7 ? ? ? 1_555 C DG  11 N2 ? ? C DG  5   C DG  11  1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog14 hydrog ? ? C DG  5  O6 ? ? ? 1_555 C DG  11 N1 ? ? C DG  5   C DG  11  1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog15 hydrog ? ? C DG  6  N1 ? ? ? 1_555 C DG  10 O6 ? ? C DG  6   C DG  10  1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog16 hydrog ? ? C DG  6  N2 ? ? ? 1_555 C DG  10 N7 ? ? C DG  6   C DG  10  1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog17 hydrog ? ? C DG  10 N1 ? ? ? 1_555 C DG  15 O6 ? ? C DG  10  C DG  15  1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog18 hydrog ? ? C DG  10 N2 ? ? ? 1_555 C DG  15 N7 ? ? C DG  10  C DG  15  1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog19 hydrog ? ? C DG  11 N7 ? ? ? 1_555 C DG  14 N2 ? ? C DG  11  C DG  14  1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog20 hydrog ? ? C DG  11 O6 ? ? ? 1_555 C DG  14 N1 ? ? C DG  11  C DG  14  1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog21 hydrog ? ? D DG  1  N1 A ? ? 1_555 D DG  6  O6 ? ? D DG  1   D DG  6   1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog22 hydrog ? ? D DG  1  N1 B ? ? 1_555 D DG  6  O6 ? ? D DG  1   D DG  6   1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog23 hydrog ? ? D DG  1  N2 A ? ? 1_555 D DG  6  N7 ? ? D DG  1   D DG  6   1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog24 hydrog ? ? D DG  1  N2 B ? ? 1_555 D DG  6  N7 ? ? D DG  1   D DG  6   1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog25 hydrog ? ? D DG  1  N7 A ? ? 1_555 D DG  15 N2 ? ? D DG  1   D DG  15  1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog26 hydrog ? ? D DG  1  N7 B ? ? 1_555 D DG  15 N2 ? ? D DG  1   D DG  15  1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog27 hydrog ? ? D DG  1  O6 A ? ? 1_555 D DG  15 N1 ? ? D DG  1   D DG  15  1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog28 hydrog ? ? D DG  1  O6 B ? ? 1_555 D DG  15 N1 ? ? D DG  1   D DG  15  1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog29 hydrog ? ? D DG  2  N7 ? ? ? 1_555 D DG  5  N2 ? ? D DG  2   D DG  5   1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog30 hydrog ? ? D DG  2  O6 ? ? ? 1_555 D DG  5  N1 ? ? D DG  2   D DG  5   1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog31 hydrog ? ? D DG  2  N1 ? ? ? 1_555 D DG  14 O6 ? ? D DG  2   D DG  14  1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog32 hydrog ? ? D DG  2  N2 ? ? ? 1_555 D DG  14 N7 ? ? D DG  2   D DG  14  1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog33 hydrog ? ? D DG  5  N7 ? ? ? 1_555 D DG  11 N2 ? ? D DG  5   D DG  11  1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog34 hydrog ? ? D DG  5  O6 ? ? ? 1_555 D DG  11 N1 ? ? D DG  5   D DG  11  1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog35 hydrog ? ? D DG  6  N1 ? ? ? 1_555 D DG  10 O6 ? ? D DG  6   D DG  10  1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog36 hydrog ? ? D DG  6  N2 ? ? ? 1_555 D DG  10 N7 ? ? D DG  6   D DG  10  1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog37 hydrog ? ? D DG  10 N1 ? ? ? 1_555 D DG  15 O6 ? ? D DG  10  D DG  15  1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog38 hydrog ? ? D DG  10 N2 ? ? ? 1_555 D DG  15 N7 ? ? D DG  10  D DG  15  1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog39 hydrog ? ? D DG  11 N7 ? ? ? 1_555 D DG  14 N2 ? ? D DG  11  D DG  14  1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
hydrog40 hydrog ? ? D DG  11 O6 ? ? ? 1_555 D DG  14 N1 ? ? D DG  11  D DG  14  1_555 ? ? ? ? ? ? TYPE_6_PAIR ?     ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
disulf ? ? 
metalc ? ? 
hydrog ? ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1  O  ? I HOH .  ? A HOH 363 ? 1_555 K ? E K . ? A K 201 ? 1_555 O  ? I HOH .  ? A HOH 395 ? 1_555 57.0  ? 
2  O6 A C DG  1  ? C DG  1   ? 1_555 K ? G K . ? C K 101 ? 1_555 O6 B C DG  1  ? C DG  1   ? 1_555 1.6   ? 
3  O6 A C DG  1  ? C DG  1   ? 1_555 K ? G K . ? C K 101 ? 1_555 O6 ? C DG  2  ? C DG  2   ? 1_555 63.0  ? 
4  O6 B C DG  1  ? C DG  1   ? 1_555 K ? G K . ? C K 101 ? 1_555 O6 ? C DG  2  ? C DG  2   ? 1_555 63.7  ? 
5  O6 A C DG  1  ? C DG  1   ? 1_555 K ? G K . ? C K 101 ? 1_555 O6 ? C DG  5  ? C DG  5   ? 1_555 119.8 ? 
6  O6 B C DG  1  ? C DG  1   ? 1_555 K ? G K . ? C K 101 ? 1_555 O6 ? C DG  5  ? C DG  5   ? 1_555 121.3 ? 
7  O6 ? C DG  2  ? C DG  2   ? 1_555 K ? G K . ? C K 101 ? 1_555 O6 ? C DG  5  ? C DG  5   ? 1_555 72.5  ? 
8  O6 A C DG  1  ? C DG  1   ? 1_555 K ? G K . ? C K 101 ? 1_555 O6 ? C DG  6  ? C DG  6   ? 1_555 78.2  ? 
9  O6 B C DG  1  ? C DG  1   ? 1_555 K ? G K . ? C K 101 ? 1_555 O6 ? C DG  6  ? C DG  6   ? 1_555 79.3  ? 
10 O6 ? C DG  2  ? C DG  2   ? 1_555 K ? G K . ? C K 101 ? 1_555 O6 ? C DG  6  ? C DG  6   ? 1_555 97.6  ? 
11 O6 ? C DG  5  ? C DG  5   ? 1_555 K ? G K . ? C K 101 ? 1_555 O6 ? C DG  6  ? C DG  6   ? 1_555 69.5  ? 
12 O6 A C DG  1  ? C DG  1   ? 1_555 K ? G K . ? C K 101 ? 1_555 O6 ? C DG  10 ? C DG  10  ? 1_555 119.8 ? 
13 O6 B C DG  1  ? C DG  1   ? 1_555 K ? G K . ? C K 101 ? 1_555 O6 ? C DG  10 ? C DG  10  ? 1_555 119.5 ? 
14 O6 ? C DG  2  ? C DG  2   ? 1_555 K ? G K . ? C K 101 ? 1_555 O6 ? C DG  10 ? C DG  10  ? 1_555 165.3 ? 
15 O6 ? C DG  5  ? C DG  5   ? 1_555 K ? G K . ? C K 101 ? 1_555 O6 ? C DG  10 ? C DG  10  ? 1_555 95.1  ? 
16 O6 ? C DG  6  ? C DG  6   ? 1_555 K ? G K . ? C K 101 ? 1_555 O6 ? C DG  10 ? C DG  10  ? 1_555 70.1  ? 
17 O6 A C DG  1  ? C DG  1   ? 1_555 K ? G K . ? C K 101 ? 1_555 O6 ? C DG  11 ? C DG  11  ? 1_555 165.6 ? 
18 O6 B C DG  1  ? C DG  1   ? 1_555 K ? G K . ? C K 101 ? 1_555 O6 ? C DG  11 ? C DG  11  ? 1_555 164.4 ? 
19 O6 ? C DG  2  ? C DG  2   ? 1_555 K ? G K . ? C K 101 ? 1_555 O6 ? C DG  11 ? C DG  11  ? 1_555 112.0 ? 
20 O6 ? C DG  5  ? C DG  5   ? 1_555 K ? G K . ? C K 101 ? 1_555 O6 ? C DG  11 ? C DG  11  ? 1_555 68.1  ? 
21 O6 ? C DG  6  ? C DG  6   ? 1_555 K ? G K . ? C K 101 ? 1_555 O6 ? C DG  11 ? C DG  11  ? 1_555 116.3 ? 
22 O6 ? C DG  10 ? C DG  10  ? 1_555 K ? G K . ? C K 101 ? 1_555 O6 ? C DG  11 ? C DG  11  ? 1_555 68.8  ? 
23 O6 A C DG  1  ? C DG  1   ? 1_555 K ? G K . ? C K 101 ? 1_555 O6 ? C DG  14 ? C DG  14  ? 1_555 93.2  ? 
24 O6 B C DG  1  ? C DG  1   ? 1_555 K ? G K . ? C K 101 ? 1_555 O6 ? C DG  14 ? C DG  14  ? 1_555 92.4  ? 
25 O6 ? C DG  2  ? C DG  2   ? 1_555 K ? G K . ? C K 101 ? 1_555 O6 ? C DG  14 ? C DG  14  ? 1_555 64.9  ? 
26 O6 ? C DG  5  ? C DG  5   ? 1_555 K ? G K . ? C K 101 ? 1_555 O6 ? C DG  14 ? C DG  14  ? 1_555 102.8 ? 
27 O6 ? C DG  6  ? C DG  6   ? 1_555 K ? G K . ? C K 101 ? 1_555 O6 ? C DG  14 ? C DG  14  ? 1_555 162.5 ? 
28 O6 ? C DG  10 ? C DG  10  ? 1_555 K ? G K . ? C K 101 ? 1_555 O6 ? C DG  14 ? C DG  14  ? 1_555 127.1 ? 
29 O6 ? C DG  11 ? C DG  11  ? 1_555 K ? G K . ? C K 101 ? 1_555 O6 ? C DG  14 ? C DG  14  ? 1_555 72.7  ? 
30 O6 A C DG  1  ? C DG  1   ? 1_555 K ? G K . ? C K 101 ? 1_555 O6 ? C DG  15 ? C DG  15  ? 1_555 77.7  ? 
31 O6 B C DG  1  ? C DG  1   ? 1_555 K ? G K . ? C K 101 ? 1_555 O6 ? C DG  15 ? C DG  15  ? 1_555 76.2  ? 
32 O6 ? C DG  2  ? C DG  2   ? 1_555 K ? G K . ? C K 101 ? 1_555 O6 ? C DG  15 ? C DG  15  ? 1_555 117.9 ? 
33 O6 ? C DG  5  ? C DG  5   ? 1_555 K ? G K . ? C K 101 ? 1_555 O6 ? C DG  15 ? C DG  15  ? 1_555 162.3 ? 
34 O6 ? C DG  6  ? C DG  6   ? 1_555 K ? G K . ? C K 101 ? 1_555 O6 ? C DG  15 ? C DG  15  ? 1_555 119.9 ? 
35 O6 ? C DG  10 ? C DG  10  ? 1_555 K ? G K . ? C K 101 ? 1_555 O6 ? C DG  15 ? C DG  15  ? 1_555 76.1  ? 
36 O6 ? C DG  11 ? C DG  11  ? 1_555 K ? G K . ? C K 101 ? 1_555 O6 ? C DG  15 ? C DG  15  ? 1_555 94.3  ? 
37 O6 ? C DG  14 ? C DG  14  ? 1_555 K ? G K . ? C K 101 ? 1_555 O6 ? C DG  15 ? C DG  15  ? 1_555 72.1  ? 
38 O6 A D DG  1  ? D DG  1   ? 1_555 K ? H K . ? D K 101 ? 1_555 O6 B D DG  1  ? D DG  1   ? 1_555 14.1  ? 
39 O6 A D DG  1  ? D DG  1   ? 1_555 K ? H K . ? D K 101 ? 1_555 O6 ? D DG  2  ? D DG  2   ? 1_555 66.4  ? 
40 O6 B D DG  1  ? D DG  1   ? 1_555 K ? H K . ? D K 101 ? 1_555 O6 ? D DG  2  ? D DG  2   ? 1_555 60.5  ? 
41 O6 A D DG  1  ? D DG  1   ? 1_555 K ? H K . ? D K 101 ? 1_555 O6 ? D DG  5  ? D DG  5   ? 1_555 116.3 ? 
42 O6 B D DG  1  ? D DG  1   ? 1_555 K ? H K . ? D K 101 ? 1_555 O6 ? D DG  5  ? D DG  5   ? 1_555 121.2 ? 
43 O6 ? D DG  2  ? D DG  2   ? 1_555 K ? H K . ? D K 101 ? 1_555 O6 ? D DG  5  ? D DG  5   ? 1_555 70.8  ? 
44 O6 A D DG  1  ? D DG  1   ? 1_555 K ? H K . ? D K 101 ? 1_555 O6 ? D DG  6  ? D DG  6   ? 1_555 70.0  ? 
45 O6 B D DG  1  ? D DG  1   ? 1_555 K ? H K . ? D K 101 ? 1_555 O6 ? D DG  6  ? D DG  6   ? 1_555 83.8  ? 
46 O6 ? D DG  2  ? D DG  2   ? 1_555 K ? H K . ? D K 101 ? 1_555 O6 ? D DG  6  ? D DG  6   ? 1_555 95.8  ? 
47 O6 ? D DG  5  ? D DG  5   ? 1_555 K ? H K . ? D K 101 ? 1_555 O6 ? D DG  6  ? D DG  6   ? 1_555 69.9  ? 
48 O6 A D DG  1  ? D DG  1   ? 1_555 K ? H K . ? D K 101 ? 1_555 O6 ? D DG  10 ? D DG  10  ? 1_555 112.5 ? 
49 O6 B D DG  1  ? D DG  1   ? 1_555 K ? H K . ? D K 101 ? 1_555 O6 ? D DG  10 ? D DG  10  ? 1_555 121.4 ? 
50 O6 ? D DG  2  ? D DG  2   ? 1_555 K ? H K . ? D K 101 ? 1_555 O6 ? D DG  10 ? D DG  10  ? 1_555 167.4 ? 
51 O6 ? D DG  5  ? D DG  5   ? 1_555 K ? H K . ? D K 101 ? 1_555 O6 ? D DG  10 ? D DG  10  ? 1_555 100.0 ? 
52 O6 ? D DG  6  ? D DG  6   ? 1_555 K ? H K . ? D K 101 ? 1_555 O6 ? D DG  10 ? D DG  10  ? 1_555 72.6  ? 
53 O6 A D DG  1  ? D DG  1   ? 1_555 K ? H K . ? D K 101 ? 1_555 O6 ? D DG  11 ? D DG  11  ? 1_555 172.8 ? 
54 O6 B D DG  1  ? D DG  1   ? 1_555 K ? H K . ? D K 101 ? 1_555 O6 ? D DG  11 ? D DG  11  ? 1_555 160.0 ? 
55 O6 ? D DG  2  ? D DG  2   ? 1_555 K ? H K . ? D K 101 ? 1_555 O6 ? D DG  11 ? D DG  11  ? 1_555 115.2 ? 
56 O6 ? D DG  5  ? D DG  5   ? 1_555 K ? H K . ? D K 101 ? 1_555 O6 ? D DG  11 ? D DG  11  ? 1_555 70.3  ? 
57 O6 ? D DG  6  ? D DG  6   ? 1_555 K ? H K . ? D K 101 ? 1_555 O6 ? D DG  11 ? D DG  11  ? 1_555 116.1 ? 
58 O6 ? D DG  10 ? D DG  10  ? 1_555 K ? H K . ? D K 101 ? 1_555 O6 ? D DG  11 ? D DG  11  ? 1_555 67.6  ? 
59 O6 A D DG  1  ? D DG  1   ? 1_555 K ? H K . ? D K 101 ? 1_555 O6 ? D DG  14 ? D DG  14  ? 1_555 100.3 ? 
60 O6 B D DG  1  ? D DG  1   ? 1_555 K ? H K . ? D K 101 ? 1_555 O6 ? D DG  14 ? D DG  14  ? 1_555 86.3  ? 
61 O6 ? D DG  2  ? D DG  2   ? 1_555 K ? H K . ? D K 101 ? 1_555 O6 ? D DG  14 ? D DG  14  ? 1_555 66.2  ? 
62 O6 ? D DG  5  ? D DG  5   ? 1_555 K ? H K . ? D K 101 ? 1_555 O6 ? D DG  14 ? D DG  14  ? 1_555 103.0 ? 
63 O6 ? D DG  6  ? D DG  6   ? 1_555 K ? H K . ? D K 101 ? 1_555 O6 ? D DG  14 ? D DG  14  ? 1_555 162.0 ? 
64 O6 ? D DG  10 ? D DG  10  ? 1_555 K ? H K . ? D K 101 ? 1_555 O6 ? D DG  14 ? D DG  14  ? 1_555 125.4 ? 
65 O6 ? D DG  11 ? D DG  11  ? 1_555 K ? H K . ? D K 101 ? 1_555 O6 ? D DG  14 ? D DG  14  ? 1_555 74.7  ? 
66 O6 A D DG  1  ? D DG  1   ? 1_555 K ? H K . ? D K 101 ? 1_555 O6 ? D DG  15 ? D DG  15  ? 1_555 77.2  ? 
67 O6 B D DG  1  ? D DG  1   ? 1_555 K ? H K . ? D K 101 ? 1_555 O6 ? D DG  15 ? D DG  15  ? 1_555 71.4  ? 
68 O6 ? D DG  2  ? D DG  2   ? 1_555 K ? H K . ? D K 101 ? 1_555 O6 ? D DG  15 ? D DG  15  ? 1_555 115.7 ? 
69 O6 ? D DG  5  ? D DG  5   ? 1_555 K ? H K . ? D K 101 ? 1_555 O6 ? D DG  15 ? D DG  15  ? 1_555 166.4 ? 
70 O6 ? D DG  6  ? D DG  6   ? 1_555 K ? H K . ? D K 101 ? 1_555 O6 ? D DG  15 ? D DG  15  ? 1_555 119.4 ? 
71 O6 ? D DG  10 ? D DG  10  ? 1_555 K ? H K . ? D K 101 ? 1_555 O6 ? D DG  15 ? D DG  15  ? 1_555 75.2  ? 
72 O6 ? D DG  11 ? D DG  11  ? 1_555 K ? H K . ? D K 101 ? 1_555 O6 ? D DG  15 ? D DG  15  ? 1_555 96.1  ? 
73 O6 ? D DG  14 ? D DG  14  ? 1_555 K ? H K . ? D K 101 ? 1_555 O6 ? D DG  15 ? D DG  15  ? 1_555 71.0  ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 CYS A 22 ? CYS A 95 ? CYS A 22 ? 1_555 CYS A 95 ? 1_555 SG SG . . . None 'Disulfide bridge' 
2 CYS B 22 ? CYS B 95 ? CYS B 22 ? 1_555 CYS B 95 ? 1_555 SG SG . . . None 'Disulfide bridge' 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 4 ? 
AA2 ? 6 ? 
AA3 ? 4 ? 
AA4 ? 4 ? 
AA5 ? 6 ? 
AA6 ? 4 ? 
# 
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 
AA1 3 4 ? anti-parallel 
AA2 1 2 ? parallel      
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
AA3 1 2 ? parallel      
AA3 2 3 ? anti-parallel 
AA3 3 4 ? anti-parallel 
AA4 1 2 ? anti-parallel 
AA4 2 3 ? anti-parallel 
AA4 3 4 ? anti-parallel 
AA5 1 2 ? parallel      
AA5 2 3 ? anti-parallel 
AA5 3 4 ? anti-parallel 
AA5 4 5 ? anti-parallel 
AA5 5 6 ? anti-parallel 
AA6 1 2 ? parallel      
AA6 2 3 ? anti-parallel 
AA6 3 4 ? 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 GLN A 3   ? SER A 7   ? GLN A 3   SER A 7   
AA1 2 LEU A 18  ? SER A 25  ? LEU A 18  SER A 25  
AA1 3 THR A 77  ? MET A 82  ? THR A 77  MET A 82  
AA1 4 PHE A 67  ? ASP A 72  ? PHE A 67  ASP A 72  
AA2 1 GLY A 10  ? GLN A 13  ? GLY A 10  GLN A 13  
AA2 2 THR A 109 ? SER A 114 ? THR A 109 SER A 114 
AA2 3 ALA A 91  ? ARG A 99  ? ALA A 91  ARG A 99  
AA2 4 MET A 34  ? GLN A 39  ? MET A 34  GLN A 39  
AA2 5 GLU A 46  ? MET A 51  ? GLU A 46  MET A 51  
AA2 6 THR A 57  ? TYR A 59  ? THR A 57  TYR A 59  
AA3 1 GLY A 10  ? GLN A 13  ? GLY A 10  GLN A 13  
AA3 2 THR A 109 ? SER A 114 ? THR A 109 SER A 114 
AA3 3 ALA A 91  ? ARG A 99  ? ALA A 91  ARG A 99  
AA3 4 GLY A 102 ? TRP A 105 ? GLY A 102 TRP A 105 
AA4 1 LEU B 4   ? SER B 7   ? LEU B 4   SER B 7   
AA4 2 LEU B 18  ? ALA B 24  ? LEU B 18  ALA B 24  
AA4 3 THR B 77  ? MET B 82  ? THR B 77  MET B 82  
AA4 4 PHE B 67  ? ARG B 71  ? PHE B 67  ARG B 71  
AA5 1 GLY B 10  ? GLN B 13  ? GLY B 10  GLN B 13  
AA5 2 THR B 109 ? SER B 114 ? THR B 109 SER B 114 
AA5 3 ALA B 91  ? ARG B 99  ? ALA B 91  ARG B 99  
AA5 4 THR B 33  ? GLN B 39  ? THR B 33  GLN B 39  
AA5 5 GLU B 46  ? MET B 51  ? GLU B 46  MET B 51  
AA5 6 THR B 57  ? TYR B 59  ? THR B 57  TYR B 59  
AA6 1 GLY B 10  ? GLN B 13  ? GLY B 10  GLN B 13  
AA6 2 THR B 109 ? SER B 114 ? THR B 109 SER B 114 
AA6 3 ALA B 91  ? ARG B 99  ? ALA B 91  ARG B 99  
AA6 4 GLY B 102 ? TRP B 105 ? GLY B 102 TRP B 105 
# 
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 GLN A 5   ? N GLN A 5   O ALA A 23  ? O ALA A 23  
AA1 2 3 N LEU A 18  ? N LEU A 18  O MET A 82  ? O MET A 82  
AA1 3 4 O TYR A 79  ? O TYR A 79  N SER A 70  ? N SER A 70  
AA2 1 2 N VAL A 12  ? N VAL A 12  O SER A 114 ? O SER A 114 
AA2 2 3 O THR A 109 ? O THR A 109 N TYR A 93  ? N TYR A 93  
AA2 3 4 O TYR A 94  ? O TYR A 94  N TYR A 37  ? N TYR A 37  
AA2 4 5 N TRP A 36  ? N TRP A 36  O ALA A 49  ? O ALA A 49  
AA2 5 6 N THR A 50  ? N THR A 50  O ARG A 58  ? O ARG A 58  
AA3 1 2 N VAL A 12  ? N VAL A 12  O SER A 114 ? O SER A 114 
AA3 2 3 O THR A 109 ? O THR A 109 N TYR A 93  ? N TYR A 93  
AA3 3 4 N LEU A 97  ? N LEU A 97  O TYR A 104 ? O TYR A 104 
AA4 1 2 N SER B 7   ? N SER B 7   O SER B 21  ? O SER B 21  
AA4 2 3 N LEU B 18  ? N LEU B 18  O MET B 82  ? O MET B 82  
AA4 3 4 O TYR B 79  ? O TYR B 79  N SER B 70  ? N SER B 70  
AA5 1 2 N GLY B 10  ? N GLY B 10  O THR B 112 ? O THR B 112 
AA5 2 3 O THR B 109 ? O THR B 109 N TYR B 93  ? N TYR B 93  
AA5 3 4 O TYR B 94  ? O TYR B 94  N TYR B 37  ? N TYR B 37  
AA5 4 5 N TRP B 36  ? N TRP B 36  O ALA B 49  ? O ALA B 49  
AA5 5 6 N THR B 50  ? N THR B 50  O ARG B 58  ? O ARG B 58  
AA6 1 2 N GLY B 10  ? N GLY B 10  O THR B 112 ? O THR B 112 
AA6 2 3 O THR B 109 ? O THR B 109 N TYR B 93  ? N TYR B 93  
AA6 3 4 N LEU B 97  ? N LEU B 97  O TYR B 104 ? O TYR B 104 
# 
_pdbx_entry_details.entry_id                   9GXH 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     N 
_pdbx_entry_details.has_protein_modification   Y 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 O   A HOH 400 ? ? O A HOH 419 ? ? 2.02 
2 1 O   A HOH 365 ? ? O A HOH 414 ? ? 2.08 
3 1 O   B HOH 264 ? ? O C HOH 220 ? ? 2.11 
4 1 NH1 A ARG 58  ? B O B ARG 45  ? ? 2.12 
5 1 O   A HOH 410 ? ? O A HOH 415 ? ? 2.13 
6 1 O   B HOH 252 ? ? O C HOH 223 ? ? 2.17 
7 1 OP1 C DT  12  ? ? O C HOH 201 ? ? 2.19 
# 
loop_
_pdbx_validate_symm_contact.id 
_pdbx_validate_symm_contact.PDB_model_num 
_pdbx_validate_symm_contact.auth_atom_id_1 
_pdbx_validate_symm_contact.auth_asym_id_1 
_pdbx_validate_symm_contact.auth_comp_id_1 
_pdbx_validate_symm_contact.auth_seq_id_1 
_pdbx_validate_symm_contact.PDB_ins_code_1 
_pdbx_validate_symm_contact.label_alt_id_1 
_pdbx_validate_symm_contact.site_symmetry_1 
_pdbx_validate_symm_contact.auth_atom_id_2 
_pdbx_validate_symm_contact.auth_asym_id_2 
_pdbx_validate_symm_contact.auth_comp_id_2 
_pdbx_validate_symm_contact.auth_seq_id_2 
_pdbx_validate_symm_contact.PDB_ins_code_2 
_pdbx_validate_symm_contact.label_alt_id_2 
_pdbx_validate_symm_contact.site_symmetry_2 
_pdbx_validate_symm_contact.dist 
1 1 O  A HOH 428 ? ? 1_555 O   A HOH 440 ? ? 1_655 2.12 
2 1 OH A TYR 37  ? ? 1_555 OP2 C DT  13  ? ? 2_645 2.16 
# 
_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            D 
_pdbx_validate_rmsd_bond.auth_comp_id_1            DG 
_pdbx_validate_rmsd_bond.auth_seq_id_1             8 
_pdbx_validate_rmsd_bond.PDB_ins_code_1            ? 
_pdbx_validate_rmsd_bond.label_alt_id_1            ? 
_pdbx_validate_rmsd_bond.auth_atom_id_2            "C3'" 
_pdbx_validate_rmsd_bond.auth_asym_id_2            D 
_pdbx_validate_rmsd_bond.auth_comp_id_2            DG 
_pdbx_validate_rmsd_bond.auth_seq_id_2             8 
_pdbx_validate_rmsd_bond.PDB_ins_code_2            ? 
_pdbx_validate_rmsd_bond.label_alt_id_2            ? 
_pdbx_validate_rmsd_bond.bond_value                1.379 
_pdbx_validate_rmsd_bond.bond_target_value         1.419 
_pdbx_validate_rmsd_bond.bond_deviation            -0.040 
_pdbx_validate_rmsd_bond.bond_standard_deviation   0.006 
_pdbx_validate_rmsd_bond.linker_flag               N 
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.PDB_ins_code_1 
_pdbx_validate_rmsd_angle.label_alt_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.PDB_ins_code_2 
_pdbx_validate_rmsd_angle.label_alt_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.PDB_ins_code_3 
_pdbx_validate_rmsd_angle.label_alt_id_3 
_pdbx_validate_rmsd_angle.angle_value 
_pdbx_validate_rmsd_angle.angle_target_value 
_pdbx_validate_rmsd_angle.angle_deviation 
_pdbx_validate_rmsd_angle.angle_standard_deviation 
_pdbx_validate_rmsd_angle.linker_flag 
1 1 "O4'" C DG 11 ? ? "C1'" C DG 11 ? ? N9 C DG 11 ? ? 110.15 108.30 1.85 0.30 N 
2 1 "O4'" C DT 13 ? ? "C1'" C DT 13 ? ? N1 C DT 13 ? ? 111.01 108.30 2.71 0.30 N 
3 1 "O4'" C DG 15 ? ? "C1'" C DG 15 ? ? N9 C DG 15 ? ? 110.44 108.30 2.14 0.30 N 
4 1 "O4'" D DG 15 ? ? "C1'" D DG 15 ? ? N9 D DG 15 ? ? 110.56 108.30 2.26 0.30 N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 SER A 30 ? ? -67.87  0.11    
2 1 LYS B 75 ? ? -118.73 -160.10 
3 1 ASN B 76 ? ? -114.92 58.98   
# 
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 10.8192 -3.7155 24.4925 0.0511 ? 0.0058  ? 0.0011  ? 0.0631 ? 0.0020  ? 0.0488 ? 1.7476 ? 0.3637  
? 0.0394  ? 1.1082 ? -0.0038 ? 1.1019 ? -0.0572 ? 0.0881  ? -0.0249 ? -0.0315 ? 0.0406 ? -0.0425 ? 0.0270  ? 0.0231 ? 0.0198  ? 
2 'X-RAY DIFFRACTION' ? refined 26.8195 18.4601 10.7345 0.1136 ? -0.0410 ? -0.0001 ? 0.1240 ? -0.0033 ? 0.0714 ? 1.4601 ? -0.3470 
? -0.5353 ? 1.8710 ? 0.1992  ? 2.2112 ? -0.0708 ? -0.0042 ? 0.0348  ? -0.0578 ? 0.1047 ? -0.1500 ? -0.1240 ? 0.1783 ? 0.0091  ? 
3 'X-RAY DIFFRACTION' ? refined 21.1161 19.2805 27.5851 0.0740 ? 0.0024  ? -0.0022 ? 0.0776 ? -0.0005 ? 0.0463 ? 1.0485 ? 0.5908  
? -0.1137 ? 3.6014 ? 1.7507  ? 2.4986 ? -0.0297 ? 0.0006  ? 0.0778  ? -0.0328 ? 0.0777 ? 0.1173  ? -0.0768 ? 0.0536 ? -0.0425 ? 
4 'X-RAY DIFFRACTION' ? refined 28.3221 25.4863 -7.2336 0.1574 ? -0.0305 ? -0.0146 ? 0.1650 ? 0.0201  ? 0.0792 ? 0.7125 ? -1.0671 
? 0.0117  ? 3.6621 ? -0.5558 ? 2.6454 ? -0.0173 ? -0.0624 ? 0.0767  ? 0.4189  ? 0.0278 ? -0.1416 ? -0.1077 ? 0.3179 ? -0.0078 ? 
# 
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 1 through 115)
;
2 'X-RAY DIFFRACTION' 2 ? ? ? ? ? ? ? ? ? ? ? 
;(chain 'B' and resid 3 through 115)
;
3 'X-RAY DIFFRACTION' 3 ? ? ? ? ? ? ? ? ? ? ? 
;(chain 'D' and resid 1 through 15)
;
4 'X-RAY DIFFRACTION' 4 ? ? ? ? ? ? ? ? ? ? ? 
;(chain 'C' and resid 1 through 15)
;
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A HIS 117 ? A HIS 117 
2  1 Y 1 A HIS 118 ? A HIS 118 
3  1 Y 1 A HIS 119 ? A HIS 119 
4  1 Y 1 A HIS 120 ? A HIS 120 
5  1 Y 1 A HIS 121 ? A HIS 121 
6  1 Y 1 B GLN 1   ? B GLN 1   
7  1 Y 1 B VAL 2   ? B VAL 2   
8  1 Y 1 B GLY 26  ? B GLY 26  
9  1 Y 1 B SER 27  ? B SER 27  
10 1 Y 1 B ARG 28  ? B ARG 28  
11 1 Y 1 B PHE 29  ? B PHE 29  
12 1 Y 1 B SER 30  ? B SER 30  
13 1 Y 1 B SER 31  ? B SER 31  
14 1 Y 1 B HIS 116 ? B HIS 116 
15 1 Y 1 B HIS 117 ? B HIS 117 
16 1 Y 1 B HIS 118 ? B HIS 118 
17 1 Y 1 B HIS 119 ? B HIS 119 
18 1 Y 1 B HIS 120 ? B HIS 120 
19 1 Y 1 B HIS 121 ? B HIS 121 
# 
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  
CYS N      N N N 74  
CYS CA     C N R 75  
CYS C      C N N 76  
CYS O      O N N 77  
CYS CB     C N N 78  
CYS SG     S N N 79  
CYS OXT    O N N 80  
CYS H      H N N 81  
CYS H2     H N N 82  
CYS HA     H N N 83  
CYS HB2    H N N 84  
CYS HB3    H N N 85  
CYS HG     H N N 86  
CYS HXT    H N N 87  
DG  OP3    O N N 88  
DG  P      P N N 89  
DG  OP1    O N N 90  
DG  OP2    O N N 91  
DG  "O5'"  O N N 92  
DG  "C5'"  C N N 93  
DG  "C4'"  C N R 94  
DG  "O4'"  O N N 95  
DG  "C3'"  C N S 96  
DG  "O3'"  O N N 97  
DG  "C2'"  C N N 98  
DG  "C1'"  C N R 99  
DG  N9     N Y N 100 
DG  C8     C Y N 101 
DG  N7     N Y N 102 
DG  C5     C Y N 103 
DG  C6     C N N 104 
DG  O6     O N N 105 
DG  N1     N N N 106 
DG  C2     C N N 107 
DG  N2     N N N 108 
DG  N3     N N N 109 
DG  C4     C Y N 110 
DG  HOP3   H N N 111 
DG  HOP2   H N N 112 
DG  "H5'"  H N N 113 
DG  "H5''" H N N 114 
DG  "H4'"  H N N 115 
DG  "H3'"  H N N 116 
DG  "HO3'" H N N 117 
DG  "H2'"  H N N 118 
DG  "H2''" H N N 119 
DG  "H1'"  H N N 120 
DG  H8     H N N 121 
DG  H1     H N N 122 
DG  H21    H N N 123 
DG  H22    H N N 124 
DT  OP3    O N N 125 
DT  P      P N N 126 
DT  OP1    O N N 127 
DT  OP2    O N N 128 
DT  "O5'"  O N N 129 
DT  "C5'"  C N N 130 
DT  "C4'"  C N R 131 
DT  "O4'"  O N N 132 
DT  "C3'"  C N S 133 
DT  "O3'"  O N N 134 
DT  "C2'"  C N N 135 
DT  "C1'"  C N R 136 
DT  N1     N N N 137 
DT  C2     C N N 138 
DT  O2     O N N 139 
DT  N3     N N N 140 
DT  C4     C N N 141 
DT  O4     O N N 142 
DT  C5     C N N 143 
DT  C7     C N N 144 
DT  C6     C N N 145 
DT  HOP3   H N N 146 
DT  HOP2   H N N 147 
DT  "H5'"  H N N 148 
DT  "H5''" H N N 149 
DT  "H4'"  H N N 150 
DT  "H3'"  H N N 151 
DT  "HO3'" H N N 152 
DT  "H2'"  H N N 153 
DT  "H2''" H N N 154 
DT  "H1'"  H N N 155 
DT  H3     H N N 156 
DT  H71    H N N 157 
DT  H72    H N N 158 
DT  H73    H N N 159 
DT  H6     H N N 160 
EDO C1     C N N 161 
EDO O1     O N N 162 
EDO C2     C N N 163 
EDO O2     O N N 164 
EDO H11    H N N 165 
EDO H12    H N N 166 
EDO HO1    H N N 167 
EDO H21    H N N 168 
EDO H22    H N N 169 
EDO HO2    H N N 170 
GLN N      N N N 171 
GLN CA     C N S 172 
GLN C      C N N 173 
GLN O      O N N 174 
GLN CB     C N N 175 
GLN CG     C N N 176 
GLN CD     C N N 177 
GLN OE1    O N N 178 
GLN NE2    N N N 179 
GLN OXT    O N N 180 
GLN H      H N N 181 
GLN H2     H N N 182 
GLN HA     H N N 183 
GLN HB2    H N N 184 
GLN HB3    H N N 185 
GLN HG2    H N N 186 
GLN HG3    H N N 187 
GLN HE21   H N N 188 
GLN HE22   H N N 189 
GLN HXT    H N N 190 
GLU N      N N N 191 
GLU CA     C N S 192 
GLU C      C N N 193 
GLU O      O N N 194 
GLU CB     C N N 195 
GLU CG     C N N 196 
GLU CD     C N N 197 
GLU OE1    O N N 198 
GLU OE2    O N N 199 
GLU OXT    O N N 200 
GLU H      H N N 201 
GLU H2     H N N 202 
GLU HA     H N N 203 
GLU HB2    H N N 204 
GLU HB3    H N N 205 
GLU HG2    H N N 206 
GLU HG3    H N N 207 
GLU HE2    H N N 208 
GLU HXT    H N N 209 
GLY N      N N N 210 
GLY CA     C N N 211 
GLY C      C N N 212 
GLY O      O N N 213 
GLY OXT    O N N 214 
GLY H      H N N 215 
GLY H2     H N N 216 
GLY HA2    H N N 217 
GLY HA3    H N N 218 
GLY HXT    H N N 219 
HIS N      N N N 220 
HIS CA     C N S 221 
HIS C      C N N 222 
HIS O      O N N 223 
HIS CB     C N N 224 
HIS CG     C Y N 225 
HIS ND1    N Y N 226 
HIS CD2    C Y N 227 
HIS CE1    C Y N 228 
HIS NE2    N Y N 229 
HIS OXT    O N N 230 
HIS H      H N N 231 
HIS H2     H N N 232 
HIS HA     H N N 233 
HIS HB2    H N N 234 
HIS HB3    H N N 235 
HIS HD1    H N N 236 
HIS HD2    H N N 237 
HIS HE1    H N N 238 
HIS HE2    H N N 239 
HIS HXT    H N N 240 
HOH O      O N N 241 
HOH H1     H N N 242 
HOH H2     H N N 243 
ILE N      N N N 244 
ILE CA     C N S 245 
ILE C      C N N 246 
ILE O      O N N 247 
ILE CB     C N S 248 
ILE CG1    C N N 249 
ILE CG2    C N N 250 
ILE CD1    C N N 251 
ILE OXT    O N N 252 
ILE H      H N N 253 
ILE H2     H N N 254 
ILE HA     H N N 255 
ILE HB     H N N 256 
ILE HG12   H N N 257 
ILE HG13   H N N 258 
ILE HG21   H N N 259 
ILE HG22   H N N 260 
ILE HG23   H N N 261 
ILE HD11   H N N 262 
ILE HD12   H N N 263 
ILE HD13   H N N 264 
ILE HXT    H N N 265 
K   K      K N N 266 
LEU N      N N N 267 
LEU CA     C N S 268 
LEU C      C N N 269 
LEU O      O N N 270 
LEU CB     C N N 271 
LEU CG     C N N 272 
LEU CD1    C N N 273 
LEU CD2    C N N 274 
LEU OXT    O N N 275 
LEU H      H N N 276 
LEU H2     H N N 277 
LEU HA     H N N 278 
LEU HB2    H N N 279 
LEU HB3    H N N 280 
LEU HG     H N N 281 
LEU HD11   H N N 282 
LEU HD12   H N N 283 
LEU HD13   H N N 284 
LEU HD21   H N N 285 
LEU HD22   H N N 286 
LEU HD23   H N N 287 
LEU HXT    H N N 288 
LYS N      N N N 289 
LYS CA     C N S 290 
LYS C      C N N 291 
LYS O      O N N 292 
LYS CB     C N N 293 
LYS CG     C N N 294 
LYS CD     C N N 295 
LYS CE     C N N 296 
LYS NZ     N N N 297 
LYS OXT    O N N 298 
LYS H      H N N 299 
LYS H2     H N N 300 
LYS HA     H N N 301 
LYS HB2    H N N 302 
LYS HB3    H N N 303 
LYS HG2    H N N 304 
LYS HG3    H N N 305 
LYS HD2    H N N 306 
LYS HD3    H N N 307 
LYS HE2    H N N 308 
LYS HE3    H N N 309 
LYS HZ1    H N N 310 
LYS HZ2    H N N 311 
LYS HZ3    H N N 312 
LYS HXT    H N N 313 
MET N      N N N 314 
MET CA     C N S 315 
MET C      C N N 316 
MET O      O N N 317 
MET CB     C N N 318 
MET CG     C N N 319 
MET SD     S N N 320 
MET CE     C N N 321 
MET OXT    O N N 322 
MET H      H N N 323 
MET H2     H N N 324 
MET HA     H N N 325 
MET HB2    H N N 326 
MET HB3    H N N 327 
MET HG2    H N N 328 
MET HG3    H N N 329 
MET HE1    H N N 330 
MET HE2    H N N 331 
MET HE3    H N N 332 
MET HXT    H N N 333 
PHE N      N N N 334 
PHE CA     C N S 335 
PHE C      C N N 336 
PHE O      O N N 337 
PHE CB     C N N 338 
PHE CG     C Y N 339 
PHE CD1    C Y N 340 
PHE CD2    C Y N 341 
PHE CE1    C Y N 342 
PHE CE2    C Y N 343 
PHE CZ     C Y N 344 
PHE OXT    O N N 345 
PHE H      H N N 346 
PHE H2     H N N 347 
PHE HA     H N N 348 
PHE HB2    H N N 349 
PHE HB3    H N N 350 
PHE HD1    H N N 351 
PHE HD2    H N N 352 
PHE HE1    H N N 353 
PHE HE2    H N N 354 
PHE HZ     H N N 355 
PHE HXT    H N N 356 
PRO N      N N N 357 
PRO CA     C N S 358 
PRO C      C N N 359 
PRO O      O N N 360 
PRO CB     C N N 361 
PRO CG     C N N 362 
PRO CD     C N N 363 
PRO OXT    O N N 364 
PRO H      H N N 365 
PRO HA     H N N 366 
PRO HB2    H N N 367 
PRO HB3    H N N 368 
PRO HG2    H N N 369 
PRO HG3    H N N 370 
PRO HD2    H N N 371 
PRO HD3    H N N 372 
PRO HXT    H N N 373 
SER N      N N N 374 
SER CA     C N S 375 
SER C      C N N 376 
SER O      O N N 377 
SER CB     C N N 378 
SER OG     O N N 379 
SER OXT    O N N 380 
SER H      H N N 381 
SER H2     H N N 382 
SER HA     H N N 383 
SER HB2    H N N 384 
SER HB3    H N N 385 
SER HG     H N N 386 
SER HXT    H N N 387 
THR N      N N N 388 
THR CA     C N S 389 
THR C      C N N 390 
THR O      O N N 391 
THR CB     C N R 392 
THR OG1    O N N 393 
THR CG2    C N N 394 
THR OXT    O N N 395 
THR H      H N N 396 
THR H2     H N N 397 
THR HA     H N N 398 
THR HB     H N N 399 
THR HG1    H N N 400 
THR HG21   H N N 401 
THR HG22   H N N 402 
THR HG23   H N N 403 
THR HXT    H N N 404 
TRP N      N N N 405 
TRP CA     C N S 406 
TRP C      C N N 407 
TRP O      O N N 408 
TRP CB     C N N 409 
TRP CG     C Y N 410 
TRP CD1    C Y N 411 
TRP CD2    C Y N 412 
TRP NE1    N Y N 413 
TRP CE2    C Y N 414 
TRP CE3    C Y N 415 
TRP CZ2    C Y N 416 
TRP CZ3    C Y N 417 
TRP CH2    C Y N 418 
TRP OXT    O N N 419 
TRP H      H N N 420 
TRP H2     H N N 421 
TRP HA     H N N 422 
TRP HB2    H N N 423 
TRP HB3    H N N 424 
TRP HD1    H N N 425 
TRP HE1    H N N 426 
TRP HE3    H N N 427 
TRP HZ2    H N N 428 
TRP HZ3    H N N 429 
TRP HH2    H N N 430 
TRP HXT    H N N 431 
TYR N      N N N 432 
TYR CA     C N S 433 
TYR C      C N N 434 
TYR O      O N N 435 
TYR CB     C N N 436 
TYR CG     C Y N 437 
TYR CD1    C Y N 438 
TYR CD2    C Y N 439 
TYR CE1    C Y N 440 
TYR CE2    C Y N 441 
TYR CZ     C Y N 442 
TYR OH     O N N 443 
TYR OXT    O N N 444 
TYR H      H N N 445 
TYR H2     H N N 446 
TYR HA     H N N 447 
TYR HB2    H N N 448 
TYR HB3    H N N 449 
TYR HD1    H N N 450 
TYR HD2    H N N 451 
TYR HE1    H N N 452 
TYR HE2    H N N 453 
TYR HH     H N N 454 
TYR HXT    H N N 455 
VAL N      N N N 456 
VAL CA     C N S 457 
VAL C      C N N 458 
VAL O      O N N 459 
VAL CB     C N N 460 
VAL CG1    C N N 461 
VAL CG2    C N N 462 
VAL OXT    O N N 463 
VAL H      H N N 464 
VAL H2     H N N 465 
VAL HA     H N N 466 
VAL HB     H N N 467 
VAL HG11   H N N 468 
VAL HG12   H N N 469 
VAL HG13   H N N 470 
VAL HG21   H N N 471 
VAL HG22   H N N 472 
VAL HG23   H N N 473 
VAL HXT    H N N 474 
# 
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  
CYS N     CA     sing N N 70  
CYS N     H      sing N N 71  
CYS N     H2     sing N N 72  
CYS CA    C      sing N N 73  
CYS CA    CB     sing N N 74  
CYS CA    HA     sing N N 75  
CYS C     O      doub N N 76  
CYS C     OXT    sing N N 77  
CYS CB    SG     sing N N 78  
CYS CB    HB2    sing N N 79  
CYS CB    HB3    sing N N 80  
CYS SG    HG     sing N N 81  
CYS OXT   HXT    sing N N 82  
DG  OP3   P      sing N N 83  
DG  OP3   HOP3   sing N N 84  
DG  P     OP1    doub N N 85  
DG  P     OP2    sing N N 86  
DG  P     "O5'"  sing N N 87  
DG  OP2   HOP2   sing N N 88  
DG  "O5'" "C5'"  sing N N 89  
DG  "C5'" "C4'"  sing N N 90  
DG  "C5'" "H5'"  sing N N 91  
DG  "C5'" "H5''" sing N N 92  
DG  "C4'" "O4'"  sing N N 93  
DG  "C4'" "C3'"  sing N N 94  
DG  "C4'" "H4'"  sing N N 95  
DG  "O4'" "C1'"  sing N N 96  
DG  "C3'" "O3'"  sing N N 97  
DG  "C3'" "C2'"  sing N N 98  
DG  "C3'" "H3'"  sing N N 99  
DG  "O3'" "HO3'" sing N N 100 
DG  "C2'" "C1'"  sing N N 101 
DG  "C2'" "H2'"  sing N N 102 
DG  "C2'" "H2''" sing N N 103 
DG  "C1'" N9     sing N N 104 
DG  "C1'" "H1'"  sing N N 105 
DG  N9    C8     sing Y N 106 
DG  N9    C4     sing Y N 107 
DG  C8    N7     doub Y N 108 
DG  C8    H8     sing N N 109 
DG  N7    C5     sing Y N 110 
DG  C5    C6     sing N N 111 
DG  C5    C4     doub Y N 112 
DG  C6    O6     doub N N 113 
DG  C6    N1     sing N N 114 
DG  N1    C2     sing N N 115 
DG  N1    H1     sing N N 116 
DG  C2    N2     sing N N 117 
DG  C2    N3     doub N N 118 
DG  N2    H21    sing N N 119 
DG  N2    H22    sing N N 120 
DG  N3    C4     sing N N 121 
DT  OP3   P      sing N N 122 
DT  OP3   HOP3   sing N N 123 
DT  P     OP1    doub N N 124 
DT  P     OP2    sing N N 125 
DT  P     "O5'"  sing N N 126 
DT  OP2   HOP2   sing N N 127 
DT  "O5'" "C5'"  sing N N 128 
DT  "C5'" "C4'"  sing N N 129 
DT  "C5'" "H5'"  sing N N 130 
DT  "C5'" "H5''" sing N N 131 
DT  "C4'" "O4'"  sing N N 132 
DT  "C4'" "C3'"  sing N N 133 
DT  "C4'" "H4'"  sing N N 134 
DT  "O4'" "C1'"  sing N N 135 
DT  "C3'" "O3'"  sing N N 136 
DT  "C3'" "C2'"  sing N N 137 
DT  "C3'" "H3'"  sing N N 138 
DT  "O3'" "HO3'" sing N N 139 
DT  "C2'" "C1'"  sing N N 140 
DT  "C2'" "H2'"  sing N N 141 
DT  "C2'" "H2''" sing N N 142 
DT  "C1'" N1     sing N N 143 
DT  "C1'" "H1'"  sing N N 144 
DT  N1    C2     sing N N 145 
DT  N1    C6     sing N N 146 
DT  C2    O2     doub N N 147 
DT  C2    N3     sing N N 148 
DT  N3    C4     sing N N 149 
DT  N3    H3     sing N N 150 
DT  C4    O4     doub N N 151 
DT  C4    C5     sing N N 152 
DT  C5    C7     sing N N 153 
DT  C5    C6     doub N N 154 
DT  C7    H71    sing N N 155 
DT  C7    H72    sing N N 156 
DT  C7    H73    sing N N 157 
DT  C6    H6     sing N N 158 
EDO C1    O1     sing N N 159 
EDO C1    C2     sing N N 160 
EDO C1    H11    sing N N 161 
EDO C1    H12    sing N N 162 
EDO O1    HO1    sing N N 163 
EDO C2    O2     sing N N 164 
EDO C2    H21    sing N N 165 
EDO C2    H22    sing N N 166 
EDO O2    HO2    sing N N 167 
GLN N     CA     sing N N 168 
GLN N     H      sing N N 169 
GLN N     H2     sing N N 170 
GLN CA    C      sing N N 171 
GLN CA    CB     sing N N 172 
GLN CA    HA     sing N N 173 
GLN C     O      doub N N 174 
GLN C     OXT    sing N N 175 
GLN CB    CG     sing N N 176 
GLN CB    HB2    sing N N 177 
GLN CB    HB3    sing N N 178 
GLN CG    CD     sing N N 179 
GLN CG    HG2    sing N N 180 
GLN CG    HG3    sing N N 181 
GLN CD    OE1    doub N N 182 
GLN CD    NE2    sing N N 183 
GLN NE2   HE21   sing N N 184 
GLN NE2   HE22   sing N N 185 
GLN OXT   HXT    sing N N 186 
GLU N     CA     sing N N 187 
GLU N     H      sing N N 188 
GLU N     H2     sing N N 189 
GLU CA    C      sing N N 190 
GLU CA    CB     sing N N 191 
GLU CA    HA     sing N N 192 
GLU C     O      doub N N 193 
GLU C     OXT    sing N N 194 
GLU CB    CG     sing N N 195 
GLU CB    HB2    sing N N 196 
GLU CB    HB3    sing N N 197 
GLU CG    CD     sing N N 198 
GLU CG    HG2    sing N N 199 
GLU CG    HG3    sing N N 200 
GLU CD    OE1    doub N N 201 
GLU CD    OE2    sing N N 202 
GLU OE2   HE2    sing N N 203 
GLU OXT   HXT    sing N N 204 
GLY N     CA     sing N N 205 
GLY N     H      sing N N 206 
GLY N     H2     sing N N 207 
GLY CA    C      sing N N 208 
GLY CA    HA2    sing N N 209 
GLY CA    HA3    sing N N 210 
GLY C     O      doub N N 211 
GLY C     OXT    sing N N 212 
GLY OXT   HXT    sing N N 213 
HIS N     CA     sing N N 214 
HIS N     H      sing N N 215 
HIS N     H2     sing N N 216 
HIS CA    C      sing N N 217 
HIS CA    CB     sing N N 218 
HIS CA    HA     sing N N 219 
HIS C     O      doub N N 220 
HIS C     OXT    sing N N 221 
HIS CB    CG     sing N N 222 
HIS CB    HB2    sing N N 223 
HIS CB    HB3    sing N N 224 
HIS CG    ND1    sing Y N 225 
HIS CG    CD2    doub Y N 226 
HIS ND1   CE1    doub Y N 227 
HIS ND1   HD1    sing N N 228 
HIS CD2   NE2    sing Y N 229 
HIS CD2   HD2    sing N N 230 
HIS CE1   NE2    sing Y N 231 
HIS CE1   HE1    sing N N 232 
HIS NE2   HE2    sing N N 233 
HIS OXT   HXT    sing N N 234 
HOH O     H1     sing N N 235 
HOH O     H2     sing N N 236 
ILE N     CA     sing N N 237 
ILE N     H      sing N N 238 
ILE N     H2     sing N N 239 
ILE CA    C      sing N N 240 
ILE CA    CB     sing N N 241 
ILE CA    HA     sing N N 242 
ILE C     O      doub N N 243 
ILE C     OXT    sing N N 244 
ILE CB    CG1    sing N N 245 
ILE CB    CG2    sing N N 246 
ILE CB    HB     sing N N 247 
ILE CG1   CD1    sing N N 248 
ILE CG1   HG12   sing N N 249 
ILE CG1   HG13   sing N N 250 
ILE CG2   HG21   sing N N 251 
ILE CG2   HG22   sing N N 252 
ILE CG2   HG23   sing N N 253 
ILE CD1   HD11   sing N N 254 
ILE CD1   HD12   sing N N 255 
ILE CD1   HD13   sing N N 256 
ILE OXT   HXT    sing N N 257 
LEU N     CA     sing N N 258 
LEU N     H      sing N N 259 
LEU N     H2     sing N N 260 
LEU CA    C      sing N N 261 
LEU CA    CB     sing N N 262 
LEU CA    HA     sing N N 263 
LEU C     O      doub N N 264 
LEU C     OXT    sing N N 265 
LEU CB    CG     sing N N 266 
LEU CB    HB2    sing N N 267 
LEU CB    HB3    sing N N 268 
LEU CG    CD1    sing N N 269 
LEU CG    CD2    sing N N 270 
LEU CG    HG     sing N N 271 
LEU CD1   HD11   sing N N 272 
LEU CD1   HD12   sing N N 273 
LEU CD1   HD13   sing N N 274 
LEU CD2   HD21   sing N N 275 
LEU CD2   HD22   sing N N 276 
LEU CD2   HD23   sing N N 277 
LEU OXT   HXT    sing N N 278 
LYS N     CA     sing N N 279 
LYS N     H      sing N N 280 
LYS N     H2     sing N N 281 
LYS CA    C      sing N N 282 
LYS CA    CB     sing N N 283 
LYS CA    HA     sing N N 284 
LYS C     O      doub N N 285 
LYS C     OXT    sing N N 286 
LYS CB    CG     sing N N 287 
LYS CB    HB2    sing N N 288 
LYS CB    HB3    sing N N 289 
LYS CG    CD     sing N N 290 
LYS CG    HG2    sing N N 291 
LYS CG    HG3    sing N N 292 
LYS CD    CE     sing N N 293 
LYS CD    HD2    sing N N 294 
LYS CD    HD3    sing N N 295 
LYS CE    NZ     sing N N 296 
LYS CE    HE2    sing N N 297 
LYS CE    HE3    sing N N 298 
LYS NZ    HZ1    sing N N 299 
LYS NZ    HZ2    sing N N 300 
LYS NZ    HZ3    sing N N 301 
LYS OXT   HXT    sing N N 302 
MET N     CA     sing N N 303 
MET N     H      sing N N 304 
MET N     H2     sing N N 305 
MET CA    C      sing N N 306 
MET CA    CB     sing N N 307 
MET CA    HA     sing N N 308 
MET C     O      doub N N 309 
MET C     OXT    sing N N 310 
MET CB    CG     sing N N 311 
MET CB    HB2    sing N N 312 
MET CB    HB3    sing N N 313 
MET CG    SD     sing N N 314 
MET CG    HG2    sing N N 315 
MET CG    HG3    sing N N 316 
MET SD    CE     sing N N 317 
MET CE    HE1    sing N N 318 
MET CE    HE2    sing N N 319 
MET CE    HE3    sing N N 320 
MET OXT   HXT    sing N N 321 
PHE N     CA     sing N N 322 
PHE N     H      sing N N 323 
PHE N     H2     sing N N 324 
PHE CA    C      sing N N 325 
PHE CA    CB     sing N N 326 
PHE CA    HA     sing N N 327 
PHE C     O      doub N N 328 
PHE C     OXT    sing N N 329 
PHE CB    CG     sing N N 330 
PHE CB    HB2    sing N N 331 
PHE CB    HB3    sing N N 332 
PHE CG    CD1    doub Y N 333 
PHE CG    CD2    sing Y N 334 
PHE CD1   CE1    sing Y N 335 
PHE CD1   HD1    sing N N 336 
PHE CD2   CE2    doub Y N 337 
PHE CD2   HD2    sing N N 338 
PHE CE1   CZ     doub Y N 339 
PHE CE1   HE1    sing N N 340 
PHE CE2   CZ     sing Y N 341 
PHE CE2   HE2    sing N N 342 
PHE CZ    HZ     sing N N 343 
PHE OXT   HXT    sing N N 344 
PRO N     CA     sing N N 345 
PRO N     CD     sing N N 346 
PRO N     H      sing N N 347 
PRO CA    C      sing N N 348 
PRO CA    CB     sing N N 349 
PRO CA    HA     sing N N 350 
PRO C     O      doub N N 351 
PRO C     OXT    sing N N 352 
PRO CB    CG     sing N N 353 
PRO CB    HB2    sing N N 354 
PRO CB    HB3    sing N N 355 
PRO CG    CD     sing N N 356 
PRO CG    HG2    sing N N 357 
PRO CG    HG3    sing N N 358 
PRO CD    HD2    sing N N 359 
PRO CD    HD3    sing N N 360 
PRO OXT   HXT    sing N N 361 
SER N     CA     sing N N 362 
SER N     H      sing N N 363 
SER N     H2     sing N N 364 
SER CA    C      sing N N 365 
SER CA    CB     sing N N 366 
SER CA    HA     sing N N 367 
SER C     O      doub N N 368 
SER C     OXT    sing N N 369 
SER CB    OG     sing N N 370 
SER CB    HB2    sing N N 371 
SER CB    HB3    sing N N 372 
SER OG    HG     sing N N 373 
SER OXT   HXT    sing N N 374 
THR N     CA     sing N N 375 
THR N     H      sing N N 376 
THR N     H2     sing N N 377 
THR CA    C      sing N N 378 
THR CA    CB     sing N N 379 
THR CA    HA     sing N N 380 
THR C     O      doub N N 381 
THR C     OXT    sing N N 382 
THR CB    OG1    sing N N 383 
THR CB    CG2    sing N N 384 
THR CB    HB     sing N N 385 
THR OG1   HG1    sing N N 386 
THR CG2   HG21   sing N N 387 
THR CG2   HG22   sing N N 388 
THR CG2   HG23   sing N N 389 
THR OXT   HXT    sing N N 390 
TRP N     CA     sing N N 391 
TRP N     H      sing N N 392 
TRP N     H2     sing N N 393 
TRP CA    C      sing N N 394 
TRP CA    CB     sing N N 395 
TRP CA    HA     sing N N 396 
TRP C     O      doub N N 397 
TRP C     OXT    sing N N 398 
TRP CB    CG     sing N N 399 
TRP CB    HB2    sing N N 400 
TRP CB    HB3    sing N N 401 
TRP CG    CD1    doub Y N 402 
TRP CG    CD2    sing Y N 403 
TRP CD1   NE1    sing Y N 404 
TRP CD1   HD1    sing N N 405 
TRP CD2   CE2    doub Y N 406 
TRP CD2   CE3    sing Y N 407 
TRP NE1   CE2    sing Y N 408 
TRP NE1   HE1    sing N N 409 
TRP CE2   CZ2    sing Y N 410 
TRP CE3   CZ3    doub Y N 411 
TRP CE3   HE3    sing N N 412 
TRP CZ2   CH2    doub Y N 413 
TRP CZ2   HZ2    sing N N 414 
TRP CZ3   CH2    sing Y N 415 
TRP CZ3   HZ3    sing N N 416 
TRP CH2   HH2    sing N N 417 
TRP OXT   HXT    sing N N 418 
TYR N     CA     sing N N 419 
TYR N     H      sing N N 420 
TYR N     H2     sing N N 421 
TYR CA    C      sing N N 422 
TYR CA    CB     sing N N 423 
TYR CA    HA     sing N N 424 
TYR C     O      doub N N 425 
TYR C     OXT    sing N N 426 
TYR CB    CG     sing N N 427 
TYR CB    HB2    sing N N 428 
TYR CB    HB3    sing N N 429 
TYR CG    CD1    doub Y N 430 
TYR CG    CD2    sing Y N 431 
TYR CD1   CE1    sing Y N 432 
TYR CD1   HD1    sing N N 433 
TYR CD2   CE2    doub Y N 434 
TYR CD2   HD2    sing N N 435 
TYR CE1   CZ     doub Y N 436 
TYR CE1   HE1    sing N N 437 
TYR CE2   CZ     sing Y N 438 
TYR CE2   HE2    sing N N 439 
TYR CZ    OH     sing N N 440 
TYR OH    HH     sing N N 441 
TYR OXT   HXT    sing N N 442 
VAL N     CA     sing N N 443 
VAL N     H      sing N N 444 
VAL N     H2     sing N N 445 
VAL CA    C      sing N N 446 
VAL CA    CB     sing N N 447 
VAL CA    HA     sing N N 448 
VAL C     O      doub N N 449 
VAL C     OXT    sing N N 450 
VAL CB    CG1    sing N N 451 
VAL CB    CG2    sing N N 452 
VAL CB    HB     sing N N 453 
VAL CG1   HG11   sing N N 454 
VAL CG1   HG12   sing N N 455 
VAL CG1   HG13   sing N N 456 
VAL CG2   HG21   sing N N 457 
VAL CG2   HG22   sing N N 458 
VAL CG2   HG23   sing N N 459 
VAL OXT   HXT    sing N N 460 
# 
_ndb_struct_conf_na.entry_id   9GXH 
_ndb_struct_conf_na.feature    '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 D DG 2  1_555 D DG 5  1_555 -1.747 -3.335 -0.078 -1.322 5.773   90.745  1 D_DG2:DG5_D   D 2  ? D 5  ? 6 3 
1 D DG 14 1_555 D DG 11 1_555 1.765  3.394  0.356  -1.472 -12.229 -88.011 2 D_DG14:DG11_D D 14 ? D 11 ? 6 3 
1 D DG 1  1_555 D DG 6  1_555 1.428  3.453  0.381  -2.357 0.348   -92.780 3 D_DG1:DG6_D   D 1  ? D 6  ? 6 3 
1 D DG 15 1_555 D DG 10 1_555 -1.654 -3.404 -0.436 7.151  5.994   90.897  4 D_DG15:DG10_D D 15 ? D 10 ? 6 3 
# 
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 D DG 2  1_555 D DG 5  1_555 D DG 14 1_555 D DG 11 1_555 -1.465 -3.597 -0.104 -4.562   -5.091  179.301  -1.799 0.733 -0.103 
-2.546 2.281   179.302  1 DD_DG2DG14:DG11DG5_DD D 2  ? D 5  ? D 14 ? D 11 ? 
1 D DG 14 1_555 D DG 11 1_555 D DG 1  1_555 D DG 6  1_555 0.369  3.591  -2.519 -144.381 -85.363 -83.564  -2.098 0.687 -0.088 
43.719 -73.946 -170.857 2 DD_DG14DG1:DG6DG11_DD D 14 ? D 11 ? D 1  ? D 6  ? 
1 D DG 1  1_555 D DG 6  1_555 D DG 15 1_555 D DG 10 1_555 1.610  3.566  -0.124 15.971   -11.328 -179.549 -1.783 0.805 -0.123 5.664 
7.986   -179.555 3 DD_DG1DG15:DG10DG6_DD D 1  ? D 6  ? D 15 ? D 10 ? 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'Slovenian Research Agency' Slovenia P1-0201  1 
'Slovenian Research Agency' Slovenia J1-50026 2 
'Slovenian Research Agency' Slovenia P1-0242  3 
# 
_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   5JA9 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9GXH 
_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]   0.027560 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.002795 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.016855 
_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]   0.014232 
_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 
H 
K 
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     . GLN A 1 1   ? 21.902  -19.726 14.447  1.00 37.49 ? 1   GLN A N     1 
ATOM   2    C CA    . GLN A 1 1   ? 22.193  -18.321 14.189  1.00 41.46 ? 1   GLN A CA    1 
ATOM   3    C C     . GLN A 1 1   ? 21.662  -17.432 15.313  1.00 47.71 ? 1   GLN A C     1 
ATOM   4    O O     . GLN A 1 1   ? 21.829  -17.750 16.492  1.00 51.07 ? 1   GLN A O     1 
ATOM   5    C CB    . GLN A 1 1   ? 21.602  -17.884 12.845  1.00 37.08 ? 1   GLN A CB    1 
ATOM   6    N N     . VAL A 1 2   ? 21.014  -16.325 14.937  1.00 43.13 ? 2   VAL A N     1 
ATOM   7    C CA    . VAL A 1 2   ? 20.547  -15.305 15.875  1.00 35.15 ? 2   VAL A CA    1 
ATOM   8    C C     . VAL A 1 2   ? 19.054  -15.489 16.125  1.00 30.12 ? 2   VAL A C     1 
ATOM   9    O O     . VAL A 1 2   ? 18.266  -15.592 15.178  1.00 34.70 ? 2   VAL A O     1 
ATOM   10   C CB    . VAL A 1 2   ? 20.838  -13.894 15.337  1.00 31.56 ? 2   VAL A CB    1 
ATOM   11   C CG1   . VAL A 1 2   ? 20.387  -12.837 16.330  1.00 24.31 ? 2   VAL A CG1   1 
ATOM   12   C CG2   . VAL A 1 2   ? 22.320  -13.747 15.023  1.00 37.81 ? 2   VAL A CG2   1 
ATOM   13   N N     . GLN A 1 3   ? 18.683  -15.491 17.396  1.00 12.88 ? 3   GLN A N     1 
ATOM   14   C CA    . GLN A 1 3   ? 17.257  -15.624 17.732  1.00 14.44 ? 3   GLN A CA    1 
ATOM   15   C C     . GLN A 1 3   ? 16.941  -14.793 18.971  1.00 12.92 ? 3   GLN A C     1 
ATOM   16   O O     . GLN A 1 3   ? 17.718  -14.824 19.859  1.00 16.86 ? 3   GLN A O     1 
ATOM   17   C CB    . GLN A 1 3   ? 16.911  -17.072 18.067  1.00 23.14 ? 3   GLN A CB    1 
ATOM   18   C CG    . GLN A 1 3   ? 15.418  -17.315 18.179  1.00 36.23 ? 3   GLN A CG    1 
ATOM   19   C CD    . GLN A 1 3   ? 15.066  -18.711 18.622  1.00 51.08 ? 3   GLN A CD    1 
ATOM   20   O OE1   . GLN A 1 3   ? 15.705  -19.681 18.214  1.00 52.18 ? 3   GLN A OE1   1 
ATOM   21   N NE2   . GLN A 1 3   ? 14.105  -18.820 19.515  1.00 56.37 ? 3   GLN A NE2   1 
ATOM   22   N N     . LEU A 1 4   ? 15.798  -14.121 18.953  1.00 10.25 ? 4   LEU A N     1 
ATOM   23   C CA    . LEU A 1 4   ? 15.292  -13.360 20.084  1.00 10.05 ? 4   LEU A CA    1 
ATOM   24   C C     . LEU A 1 4   ? 14.015  -14.014 20.587  1.00 10.11 ? 4   LEU A C     1 
ATOM   25   O O     . LEU A 1 4   ? 13.145  -14.389 19.791  1.00 14.61 ? 4   LEU A O     1 
ATOM   26   C CB    . LEU A 1 4   ? 14.976  -11.907 19.697  1.00 12.31 ? 4   LEU A CB    1 
ATOM   27   C CG    . LEU A 1 4   ? 16.136  -10.972 19.332  1.00 22.79 ? 4   LEU A CG    1 
ATOM   28   C CD1   . LEU A 1 4   ? 15.686  -9.514  19.353  1.00 16.65 ? 4   LEU A CD1   1 
ATOM   29   C CD2   . LEU A 1 4   ? 17.369  -11.185 20.188  1.00 22.21 ? 4   LEU A CD2   1 
ATOM   30   N N     . GLN A 1 5   ? 13.906  -14.139 21.906  1.00 8.26  ? 5   GLN A N     1 
ATOM   31   C CA    . GLN A 1 5   ? 12.764  -14.766 22.563  1.00 11.45 ? 5   GLN A CA    1 
ATOM   32   C C     . GLN A 1 5   ? 12.193  -13.776 23.564  1.00 15.32 ? 5   GLN A C     1 
ATOM   33   O O     . GLN A 1 5   ? 12.874  -13.401 24.527  1.00 9.06  ? 5   GLN A O     1 
ATOM   34   C CB    . GLN A 1 5   ? 13.178  -16.063 23.270  1.00 15.14 ? 5   GLN A CB    1 
ATOM   35   C CG    . GLN A 1 5   ? 12.059  -16.786 24.020  1.00 29.09 ? 5   GLN A CG    1 
ATOM   36   C CD    . GLN A 1 5   ? 10.936  -17.272 23.116  1.00 39.17 ? 5   GLN A CD    1 
ATOM   37   O OE1   . GLN A 1 5   ? 11.159  -17.634 21.958  1.00 47.33 ? 5   GLN A OE1   1 
ATOM   38   N NE2   . GLN A 1 5   ? 9.719   -17.284 23.648  1.00 38.44 ? 5   GLN A NE2   1 
ATOM   39   N N     . GLU A 1 6   ? 10.955  -13.359 23.335  1.00 11.92 ? 6   GLU A N     1 
ATOM   40   C CA    . GLU A 1 6   ? 10.235  -12.457 24.228  1.00 7.14  ? 6   GLU A CA    1 
ATOM   41   C C     . GLU A 1 6   ? 9.362   -13.212 25.209  1.00 6.61  ? 6   GLU A C     1 
ATOM   42   O O     . GLU A 1 6   ? 8.827   -14.271 24.896  1.00 8.27  ? 6   GLU A O     1 
ATOM   43   C CB    . GLU A 1 6   ? 9.341   -11.541 23.414  1.00 6.09  ? 6   GLU A CB    1 
ATOM   44   C CG    . GLU A 1 6   ? 10.063  -10.466 22.706  1.00 19.45 ? 6   GLU A CG    1 
ATOM   45   C CD    . GLU A 1 6   ? 9.085   -9.616  21.956  1.00 13.26 ? 6   GLU A CD    1 
ATOM   46   O OE1   . GLU A 1 6   ? 8.239   -8.973  22.625  1.00 8.82  ? 6   GLU A OE1   1 
ATOM   47   O OE2   . GLU A 1 6   ? 9.167   -9.612  20.709  1.00 13.24 ? 6   GLU A OE2   1 
ATOM   48   N N     A SER A 1 7   ? 9.184   -12.632 26.394  0.52 7.72  ? 7   SER A N     1 
ATOM   49   N N     B SER A 1 7   ? 9.209   -12.641 26.405  0.48 7.77  ? 7   SER A N     1 
ATOM   50   C CA    A SER A 1 7   ? 8.311   -13.220 27.398  0.52 8.49  ? 7   SER A CA    1 
ATOM   51   C CA    B SER A 1 7   ? 8.366   -13.217 27.443  0.48 8.40  ? 7   SER A CA    1 
ATOM   52   C C     A SER A 1 7   ? 7.798   -12.123 28.320  0.52 11.97 ? 7   SER A C     1 
ATOM   53   C C     B SER A 1 7   ? 7.761   -12.093 28.273  0.48 11.85 ? 7   SER A C     1 
ATOM   54   O O     A SER A 1 7   ? 8.363   -11.027 28.393  0.52 9.91  ? 7   SER A O     1 
ATOM   55   O O     B SER A 1 7   ? 8.229   -10.951 28.243  0.48 10.67 ? 7   SER A O     1 
ATOM   56   C CB    A SER A 1 7   ? 9.029   -14.302 28.205  0.52 11.61 ? 7   SER A CB    1 
ATOM   57   C CB    B SER A 1 7   ? 9.148   -14.168 28.355  0.48 11.54 ? 7   SER A CB    1 
ATOM   58   O OG    A SER A 1 7   ? 10.220  -13.787 28.763  0.52 13.32 ? 7   SER A OG    1 
ATOM   59   O OG    B SER A 1 7   ? 9.982   -15.033 27.610  0.48 13.56 ? 7   SER A OG    1 
ATOM   60   N N     . GLY A 1 8   ? 6.709   -12.429 29.018  1.00 6.27  ? 8   GLY A N     1 
ATOM   61   C CA    . GLY A 1 8   ? 6.155   -11.534 30.015  1.00 9.46  ? 8   GLY A CA    1 
ATOM   62   C C     . GLY A 1 8   ? 4.788   -10.965 29.707  1.00 9.33  ? 8   GLY A C     1 
ATOM   63   O O     . GLY A 1 8   ? 4.227   -10.279 30.568  1.00 5.91  ? 8   GLY A O     1 
ATOM   64   N N     . GLY A 1 9   ? 4.233   -11.212 28.516  1.00 9.60  ? 9   GLY A N     1 
ATOM   65   C CA    . GLY A 1 9   ? 2.946   -10.641 28.171  1.00 8.85  ? 9   GLY A CA    1 
ATOM   66   C C     . GLY A 1 9   ? 1.798   -11.226 28.973  1.00 8.86  ? 9   GLY A C     1 
ATOM   67   O O     . GLY A 1 9   ? 1.899   -12.278 29.620  1.00 7.20  ? 9   GLY A O     1 
ATOM   68   N N     . GLY A 1 10  ? 0.677   -10.515 28.945  1.00 10.55 ? 10  GLY A N     1 
ATOM   69   C CA    . GLY A 1 10  ? -0.499  -10.988 29.652  1.00 10.64 ? 10  GLY A CA    1 
ATOM   70   C C     . GLY A 1 10  ? -1.448  -9.844  29.949  1.00 7.05  ? 10  GLY A C     1 
ATOM   71   O O     . GLY A 1 10  ? -1.341  -8.768  29.366  1.00 7.80  ? 10  GLY A O     1 
ATOM   72   N N     . LEU A 1 11  ? -2.345  -10.097 30.902  1.00 7.60  ? 11  LEU A N     1 
ATOM   73   C CA    . LEU A 1 11  ? -3.392  -9.156  31.274  1.00 7.87  ? 11  LEU A CA    1 
ATOM   74   C C     . LEU A 1 11  ? -3.063  -8.516  32.616  1.00 14.40 ? 11  LEU A C     1 
ATOM   75   O O     . LEU A 1 11  ? -2.672  -9.208  33.564  1.00 14.68 ? 11  LEU A O     1 
ATOM   76   C CB    . LEU A 1 11  ? -4.746  -9.860  31.348  1.00 12.08 ? 11  LEU A CB    1 
ATOM   77   C CG    . LEU A 1 11  ? -5.948  -9.058  31.845  1.00 16.09 ? 11  LEU A CG    1 
ATOM   78   C CD1   . LEU A 1 11  ? -6.298  -7.932  30.870  1.00 13.82 ? 11  LEU A CD1   1 
ATOM   79   C CD2   . LEU A 1 11  ? -7.123  -9.983  32.031  1.00 18.87 ? 11  LEU A CD2   1 
ATOM   80   N N     A VAL A 1 12  ? -3.216  -7.196  32.693  0.68 9.32  ? 12  VAL A N     1 
ATOM   81   N N     B VAL A 1 12  ? -3.243  -7.195  32.700  0.32 10.53 ? 12  VAL A N     1 
ATOM   82   C CA    A VAL A 1 12  ? -2.953  -6.461  33.919  0.68 12.11 ? 12  VAL A CA    1 
ATOM   83   C CA    B VAL A 1 12  ? -2.897  -6.429  33.895  0.32 12.29 ? 12  VAL A CA    1 
ATOM   84   C C     A VAL A 1 12  ? -3.983  -5.354  34.049  0.68 14.44 ? 12  VAL A C     1 
ATOM   85   C C     B VAL A 1 12  ? -3.867  -5.263  34.034  0.32 13.40 ? 12  VAL A C     1 
ATOM   86   O O     A VAL A 1 12  ? -4.609  -4.935  33.072  0.68 12.41 ? 12  VAL A O     1 
ATOM   87   O O     B VAL A 1 12  ? -4.346  -4.710  33.040  0.32 12.74 ? 12  VAL A O     1 
ATOM   88   C CB    A VAL A 1 12  ? -1.530  -5.865  33.955  0.68 11.07 ? 12  VAL A CB    1 
ATOM   89   C CB    B VAL A 1 12  ? -1.434  -5.924  33.834  0.32 12.92 ? 12  VAL A CB    1 
ATOM   90   C CG1   A VAL A 1 12  ? -0.498  -6.975  33.880  0.68 21.50 ? 12  VAL A CG1   1 
ATOM   91   C CG1   B VAL A 1 12  ? -1.093  -5.084  35.058  0.32 7.58  ? 12  VAL A CG1   1 
ATOM   92   C CG2   A VAL A 1 12  ? -1.342  -4.875  32.814  0.68 6.92  ? 12  VAL A CG2   1 
ATOM   93   C CG2   B VAL A 1 12  ? -0.474  -7.096  33.699  0.32 18.45 ? 12  VAL A CG2   1 
ATOM   94   N N     . GLN A 1 13  ? -4.147  -4.883  35.282  1.00 10.46 ? 13  GLN A N     1 
ATOM   95   C CA    . GLN A 1 13  ? -5.062  -3.787  35.568  1.00 9.50  ? 13  GLN A CA    1 
ATOM   96   C C     . GLN A 1 13  ? -4.371  -2.450  35.317  1.00 9.15  ? 13  GLN A C     1 
ATOM   97   O O     . GLN A 1 13  ? -3.157  -2.313  35.499  1.00 9.51  ? 13  GLN A O     1 
ATOM   98   C CB    . GLN A 1 13  ? -5.535  -3.862  37.024  1.00 17.66 ? 13  GLN A CB    1 
ATOM   99   C CG    . GLN A 1 13  ? -6.365  -5.094  37.356  1.00 30.36 ? 13  GLN A CG    1 
ATOM   100  C CD    . GLN A 1 13  ? -6.987  -5.033  38.753  1.00 46.42 ? 13  GLN A CD    1 
ATOM   101  O OE1   . GLN A 1 13  ? -6.363  -4.563  39.708  1.00 52.57 ? 13  GLN A OE1   1 
ATOM   102  N NE2   . GLN A 1 13  ? -8.221  -5.509  38.872  1.00 46.71 ? 13  GLN A NE2   1 
ATOM   103  N N     . ALA A 1 14  ? -5.156  -1.454  34.904  1.00 9.52  ? 14  ALA A N     1 
ATOM   104  C CA    . ALA A 1 14  ? -4.633  -0.097  34.782  1.00 14.14 ? 14  ALA A CA    1 
ATOM   105  C C     . ALA A 1 14  ? -3.984  0.344   36.091  1.00 9.73  ? 14  ALA A C     1 
ATOM   106  O O     . ALA A 1 14  ? -4.497  0.064   37.175  1.00 10.67 ? 14  ALA A O     1 
ATOM   107  C CB    . ALA A 1 14  ? -5.753  0.875   34.404  1.00 14.90 ? 14  ALA A CB    1 
ATOM   108  N N     . GLY A 1 15  ? -2.868  1.066   35.978  1.00 10.40 ? 15  GLY A N     1 
ATOM   109  C CA    . GLY A 1 15  ? -2.062  1.455   37.113  1.00 13.35 ? 15  GLY A CA    1 
ATOM   110  C C     . GLY A 1 15  ? -1.030  0.424   37.529  1.00 12.47 ? 15  GLY A C     1 
ATOM   111  O O     . GLY A 1 15  ? -0.126  0.744   38.314  1.00 10.97 ? 15  GLY A O     1 
ATOM   112  N N     . GLY A 1 16  ? -1.160  -0.806  37.051  1.00 9.42  ? 16  GLY A N     1 
ATOM   113  C CA    . GLY A 1 16  ? -0.238  -1.866  37.392  1.00 11.85 ? 16  GLY A CA    1 
ATOM   114  C C     . GLY A 1 16  ? 1.068   -1.748  36.643  1.00 11.28 ? 16  GLY A C     1 
ATOM   115  O O     . GLY A 1 16  ? 1.299   -0.827  35.861  1.00 7.88  ? 16  GLY A O     1 
ATOM   116  N N     A SER A 1 17  ? 1.943   -2.727  36.889  0.69 10.97 ? 17  SER A N     1 
ATOM   117  N N     B SER A 1 17  ? 1.943   -2.716  36.897  0.31 10.97 ? 17  SER A N     1 
ATOM   118  C CA    A SER A 1 17  ? 3.301   -2.742  36.358  0.69 10.67 ? 17  SER A CA    1 
ATOM   119  C CA    B SER A 1 17  ? 3.256   -2.747  36.278  0.31 10.25 ? 17  SER A CA    1 
ATOM   120  C C     A SER A 1 17  ? 3.664   -4.168  35.965  0.69 11.21 ? 17  SER A C     1 
ATOM   121  C C     B SER A 1 17  ? 3.582   -4.178  35.884  0.31 10.54 ? 17  SER A C     1 
ATOM   122  O O     A SER A 1 17  ? 3.195   -5.125  36.589  0.69 10.14 ? 17  SER A O     1 
ATOM   123  O O     B SER A 1 17  ? 3.027   -5.137  36.428  0.31 9.74  ? 17  SER A O     1 
ATOM   124  C CB    A SER A 1 17  ? 4.298   -2.207  37.403  0.69 9.89  ? 17  SER A CB    1 
ATOM   125  C CB    B SER A 1 17  ? 4.334   -2.192  37.218  0.31 10.42 ? 17  SER A CB    1 
ATOM   126  O OG    A SER A 1 17  ? 5.620   -2.141  36.895  0.69 9.79  ? 17  SER A OG    1 
ATOM   127  O OG    B SER A 1 17  ? 4.052   -0.849  37.568  0.31 9.14  ? 17  SER A OG    1 
ATOM   128  N N     . LEU A 1 18  ? 4.481   -4.307  34.913  1.00 6.41  ? 18  LEU A N     1 
ATOM   129  C CA    . LEU A 1 18  ? 4.999   -5.611  34.507  1.00 10.59 ? 18  LEU A CA    1 
ATOM   130  C C     . LEU A 1 18  ? 6.286   -5.385  33.728  1.00 9.15  ? 18  LEU A C     1 
ATOM   131  O O     . LEU A 1 18  ? 6.607   -4.269  33.328  1.00 8.97  ? 18  LEU A O     1 
ATOM   132  C CB    . LEU A 1 18  ? 3.981   -6.419  33.672  1.00 6.11  ? 18  LEU A CB    1 
ATOM   133  C CG    . LEU A 1 18  ? 3.560   -5.856  32.302  1.00 8.83  ? 18  LEU A CG    1 
ATOM   134  C CD1   . LEU A 1 18  ? 4.570   -6.217  31.219  1.00 8.23  ? 18  LEU A CD1   1 
ATOM   135  C CD2   . LEU A 1 18  ? 2.180   -6.393  31.912  1.00 11.27 ? 18  LEU A CD2   1 
ATOM   136  N N     . ARG A 1 19  ? 7.031   -6.463  33.525  1.00 5.46  ? 19  ARG A N     1 
ATOM   137  C CA    . ARG A 1 19  ? 8.318   -6.377  32.858  1.00 5.20  ? 19  ARG A CA    1 
ATOM   138  C C     . ARG A 1 19  ? 8.333   -7.353  31.692  1.00 7.99  ? 19  ARG A C     1 
ATOM   139  O O     . ARG A 1 19  ? 8.014   -8.532  31.868  1.00 7.56  ? 19  ARG A O     1 
ATOM   140  C CB    . ARG A 1 19  ? 9.456   -6.705  33.833  1.00 8.14  ? 19  ARG A CB    1 
ATOM   141  C CG    . ARG A 1 19  ? 10.862  -6.519  33.276  1.00 9.27  ? 19  ARG A CG    1 
ATOM   142  C CD    . ARG A 1 19  ? 11.909  -7.055  34.268  1.00 9.50  ? 19  ARG A CD    1 
ATOM   143  N NE    . ARG A 1 19  ? 11.805  -8.510  34.320  1.00 14.77 ? 19  ARG A NE    1 
ATOM   144  C CZ    . ARG A 1 19  ? 12.663  -9.328  34.920  1.00 20.45 ? 19  ARG A CZ    1 
ATOM   145  N NH1   . ARG A 1 19  ? 13.726  -8.848  35.551  1.00 14.44 ? 19  ARG A NH1   1 
ATOM   146  N NH2   . ARG A 1 19  ? 12.449  -10.645 34.877  1.00 24.20 ? 19  ARG A NH2   1 
ATOM   147  N N     . LEU A 1 20  ? 8.715   -6.871  30.514  1.00 4.76  ? 20  LEU A N     1 
ATOM   148  C CA    . LEU A 1 20  ? 8.966   -7.736  29.366  1.00 6.32  ? 20  LEU A CA    1 
ATOM   149  C C     . LEU A 1 20  ? 10.451  -8.068  29.258  1.00 8.49  ? 20  LEU A C     1 
ATOM   150  O O     . LEU A 1 20  ? 11.312  -7.221  29.528  1.00 10.07 ? 20  LEU A O     1 
ATOM   151  C CB    . LEU A 1 20  ? 8.489   -7.075  28.067  1.00 4.52  ? 20  LEU A CB    1 
ATOM   152  C CG    . LEU A 1 20  ? 6.995   -6.781  28.000  1.00 5.87  ? 20  LEU A CG    1 
ATOM   153  C CD1   . LEU A 1 20  ? 6.645   -6.278  26.589  1.00 9.18  ? 20  LEU A CD1   1 
ATOM   154  C CD2   . LEU A 1 20  ? 6.151   -8.020  28.369  1.00 5.32  ? 20  LEU A CD2   1 
ATOM   155  N N     A SER A 1 21  ? 10.750  -9.301  28.866  0.55 5.22  ? 21  SER A N     1 
ATOM   156  N N     B SER A 1 21  ? 10.748  -9.296  28.842  0.45 7.33  ? 21  SER A N     1 
ATOM   157  C CA    A SER A 1 21  ? 12.122  -9.713  28.618  0.55 8.51  ? 21  SER A CA    1 
ATOM   158  C CA    B SER A 1 21  ? 12.119  -9.738  28.630  0.45 8.55  ? 21  SER A CA    1 
ATOM   159  C C     A SER A 1 21  ? 12.319  -10.022 27.140  0.55 10.97 ? 21  SER A C     1 
ATOM   160  C C     B SER A 1 21  ? 12.335  -10.065 27.158  0.45 10.57 ? 21  SER A C     1 
ATOM   161  O O     A SER A 1 21  ? 11.411  -10.511 26.460  0.55 7.18  ? 21  SER A O     1 
ATOM   162  O O     B SER A 1 21  ? 11.445  -10.607 26.494  0.45 8.20  ? 21  SER A O     1 
ATOM   163  C CB    A SER A 1 21  ? 12.506  -10.938 29.450  0.55 8.84  ? 21  SER A CB    1 
ATOM   164  C CB    B SER A 1 21  ? 12.454  -10.961 29.492  0.45 9.29  ? 21  SER A CB    1 
ATOM   165  O OG    A SER A 1 21  ? 11.634  -12.019 29.180  0.55 9.77  ? 21  SER A OG    1 
ATOM   166  O OG    B SER A 1 21  ? 12.173  -10.712 30.862  0.45 11.46 ? 21  SER A OG    1 
ATOM   167  N N     . CYS A 1 22  ? 13.521  -9.718  26.655  1.00 7.67  ? 22  CYS A N     1 
ATOM   168  C CA    . CYS A 1 22  ? 13.955  -10.042 25.301  1.00 8.19  ? 22  CYS A CA    1 
ATOM   169  C C     . CYS A 1 22  ? 15.305  -10.736 25.431  1.00 9.55  ? 22  CYS A C     1 
ATOM   170  O O     . CYS A 1 22  ? 16.311  -10.079 25.722  1.00 7.55  ? 22  CYS A O     1 
ATOM   171  C CB    . CYS A 1 22  ? 14.064  -8.779  24.447  1.00 12.51 ? 22  CYS A CB    1 
ATOM   172  S SG    . CYS A 1 22  ? 14.448  -9.055  22.706  1.00 14.84 ? 22  CYS A SG    1 
ATOM   173  N N     . ALA A 1 23  ? 15.326  -12.056 25.250  1.00 10.19 ? 23  ALA A N     1 
ATOM   174  C CA    . ALA A 1 23  ? 16.531  -12.859 25.431  1.00 9.55  ? 23  ALA A CA    1 
ATOM   175  C C     . ALA A 1 23  ? 17.136  -13.215 24.081  1.00 12.03 ? 23  ALA A C     1 
ATOM   176  O O     . ALA A 1 23  ? 16.448  -13.754 23.210  1.00 14.14 ? 23  ALA A O     1 
ATOM   177  C CB    . ALA A 1 23  ? 16.227  -14.135 26.220  1.00 9.43  ? 23  ALA A CB    1 
ATOM   178  N N     . ALA A 1 24  ? 18.427  -12.947 23.919  1.00 8.76  ? 24  ALA A N     1 
ATOM   179  C CA    . ALA A 1 24  ? 19.088  -13.161 22.638  1.00 12.76 ? 24  ALA A CA    1 
ATOM   180  C C     . ALA A 1 24  ? 20.008  -14.374 22.678  1.00 13.91 ? 24  ALA A C     1 
ATOM   181  O O     . ALA A 1 24  ? 20.604  -14.695 23.715  1.00 11.03 ? 24  ALA A O     1 
ATOM   182  C CB    . ALA A 1 24  ? 19.892  -11.926 22.223  1.00 12.06 ? 24  ALA A CB    1 
ATOM   183  N N     . SER A 1 25  ? 20.113  -15.045 21.525  1.00 11.02 ? 25  SER A N     1 
ATOM   184  C CA    . SER A 1 25  ? 21.046  -16.142 21.290  1.00 14.45 ? 25  SER A CA    1 
ATOM   185  C C     . SER A 1 25  ? 21.709  -15.950 19.935  1.00 15.45 ? 25  SER A C     1 
ATOM   186  O O     . SER A 1 25  ? 21.033  -15.662 18.945  1.00 17.99 ? 25  SER A O     1 
ATOM   187  C CB    . SER A 1 25  ? 20.351  -17.512 21.289  1.00 20.99 ? 25  SER A CB    1 
ATOM   188  O OG    . SER A 1 25  ? 19.632  -17.734 22.481  1.00 32.12 ? 25  SER A OG    1 
ATOM   189  N N     . GLY A 1 26  ? 23.023  -16.154 19.885  1.00 15.36 ? 26  GLY A N     1 
ATOM   190  C CA    . GLY A 1 26  ? 23.763  -16.042 18.649  1.00 17.66 ? 26  GLY A CA    1 
ATOM   191  C C     . GLY A 1 26  ? 24.403  -14.696 18.404  1.00 18.16 ? 26  GLY A C     1 
ATOM   192  O O     . GLY A 1 26  ? 25.191  -14.568 17.456  1.00 17.34 ? 26  GLY A O     1 
ATOM   193  N N     . SER A 1 27  ? 24.109  -13.698 19.234  1.00 20.39 ? 27  SER A N     1 
ATOM   194  C CA    . SER A 1 27  ? 24.641  -12.348 19.107  1.00 20.33 ? 27  SER A CA    1 
ATOM   195  C C     . SER A 1 27  ? 24.373  -11.620 20.414  1.00 16.43 ? 27  SER A C     1 
ATOM   196  O O     . SER A 1 27  ? 23.367  -11.875 21.070  1.00 13.32 ? 27  SER A O     1 
ATOM   197  C CB    . SER A 1 27  ? 23.999  -11.595 17.938  1.00 25.76 ? 27  SER A CB    1 
ATOM   198  O OG    . SER A 1 27  ? 24.832  -10.540 17.502  1.00 34.04 ? 27  SER A OG    1 
ATOM   199  N N     . ARG A 1 28  ? 25.274  -10.724 20.792  1.00 14.13 ? 28  ARG A N     1 
ATOM   200  C CA    . ARG A 1 28  ? 25.176  -10.054 22.084  1.00 13.39 ? 28  ARG A CA    1 
ATOM   201  C C     . ARG A 1 28  ? 24.483  -8.703  21.934  1.00 10.08 ? 28  ARG A C     1 
ATOM   202  O O     . ARG A 1 28  ? 24.772  -7.948  21.000  1.00 10.52 ? 28  ARG A O     1 
ATOM   203  C CB    . ARG A 1 28  ? 26.563  -9.860  22.711  1.00 16.07 ? 28  ARG A CB    1 
ATOM   204  C CG    . ARG A 1 28  ? 27.251  -11.160 23.134  1.00 19.66 ? 28  ARG A CG    1 
ATOM   205  C CD    . ARG A 1 28  ? 28.546  -10.881 23.902  1.00 24.23 ? 28  ARG A CD    1 
ATOM   206  N NE    . ARG A 1 28  ? 29.533  -10.163 23.099  1.00 24.06 ? 28  ARG A NE    1 
ATOM   207  C CZ    . ARG A 1 28  ? 30.459  -10.757 22.351  1.00 25.87 ? 28  ARG A CZ    1 
ATOM   208  N NH1   . ARG A 1 28  ? 30.525  -12.082 22.308  1.00 23.51 ? 28  ARG A NH1   1 
ATOM   209  N NH2   . ARG A 1 28  ? 31.321  -10.027 21.654  1.00 21.98 ? 28  ARG A NH2   1 
ATOM   210  N N     . PHE A 1 29  ? 23.566  -8.401  22.857  1.00 9.27  ? 29  PHE A N     1 
ATOM   211  C CA    . PHE A 1 29  ? 22.984  -7.061  22.869  1.00 9.32  ? 29  PHE A CA    1 
ATOM   212  C C     . PHE A 1 29  ? 24.070  -6.004  22.969  1.00 10.68 ? 29  PHE A C     1 
ATOM   213  O O     . PHE A 1 29  ? 23.963  -4.929  22.371  1.00 12.61 ? 29  PHE A O     1 
ATOM   214  C CB    . PHE A 1 29  ? 21.995  -6.904  24.026  1.00 7.83  ? 29  PHE A CB    1 
ATOM   215  C CG    . PHE A 1 29  ? 20.661  -7.516  23.762  1.00 7.43  ? 29  PHE A CG    1 
ATOM   216  C CD1   . PHE A 1 29  ? 19.793  -6.940  22.850  1.00 7.33  ? 29  PHE A CD1   1 
ATOM   217  C CD2   . PHE A 1 29  ? 20.268  -8.675  24.431  1.00 9.31  ? 29  PHE A CD2   1 
ATOM   218  C CE1   . PHE A 1 29  ? 18.551  -7.490  22.614  1.00 8.95  ? 29  PHE A CE1   1 
ATOM   219  C CE2   . PHE A 1 29  ? 19.030  -9.239  24.201  1.00 14.04 ? 29  PHE A CE2   1 
ATOM   220  C CZ    . PHE A 1 29  ? 18.163  -8.641  23.288  1.00 12.50 ? 29  PHE A CZ    1 
ATOM   221  N N     . SER A 1 30  ? 25.126  -6.294  23.714  1.00 11.16 ? 30  SER A N     1 
ATOM   222  C CA    A SER A 1 30  ? 26.202  -5.329  23.899  0.92 16.53 ? 30  SER A CA    1 
ATOM   223  C CA    B SER A 1 30  ? 26.202  -5.326  23.892  0.08 13.66 ? 30  SER A CA    1 
ATOM   224  C C     . SER A 1 30  ? 26.991  -5.064  22.617  1.00 15.11 ? 30  SER A C     1 
ATOM   225  O O     . SER A 1 30  ? 27.923  -4.256  22.647  1.00 13.97 ? 30  SER A O     1 
ATOM   226  C CB    A SER A 1 30  ? 27.131  -5.817  25.017  0.92 12.37 ? 30  SER A CB    1 
ATOM   227  C CB    B SER A 1 30  ? 27.150  -5.795  24.997  0.08 13.68 ? 30  SER A CB    1 
ATOM   228  O OG    A SER A 1 30  ? 27.673  -7.097  24.706  0.92 11.07 ? 30  SER A OG    1 
ATOM   229  O OG    B SER A 1 30  ? 26.493  -5.827  26.250  0.08 11.87 ? 30  SER A OG    1 
ATOM   230  N N     . SER A 1 31  ? 26.646  -5.710  21.497  1.00 10.62 ? 31  SER A N     1 
ATOM   231  C CA    . SER A 1 31  ? 27.367  -5.509  20.246  1.00 12.66 ? 31  SER A CA    1 
ATOM   232  C C     . SER A 1 31  ? 26.648  -4.586  19.274  1.00 13.97 ? 31  SER A C     1 
ATOM   233  O O     . SER A 1 31  ? 27.271  -4.127  18.308  1.00 11.76 ? 31  SER A O     1 
ATOM   234  C CB    . SER A 1 31  ? 27.623  -6.854  19.548  1.00 18.30 ? 31  SER A CB    1 
ATOM   235  O OG    . SER A 1 31  ? 28.545  -7.644  20.280  1.00 20.34 ? 31  SER A OG    1 
ATOM   236  N N     . ASN A 1 32  ? 25.376  -4.340  19.559  1.00 13.96 ? 32  ASN A N     1 
ATOM   237  C CA    . ASN A 1 32  ? 24.553  -3.682  18.543  1.00 13.25 ? 32  ASN A CA    1 
ATOM   238  C C     . ASN A 1 32  ? 23.382  -2.891  19.161  1.00 9.06  ? 32  ASN A C     1 
ATOM   239  O O     . ASN A 1 32  ? 23.218  -2.930  20.366  1.00 8.56  ? 32  ASN A O     1 
ATOM   240  C CB    . ASN A 1 32  ? 24.057  -4.756  17.559  1.00 13.90 ? 32  ASN A CB    1 
ATOM   241  C CG    . ASN A 1 32  ? 24.986  -5.145  16.420  1.00 31.08 ? 32  ASN A CG    1 
ATOM   242  O OD1   . ASN A 1 32  ? 25.718  -6.110  16.596  1.00 26.92 ? 32  ASN A OD1   1 
ATOM   243  N ND2   . ASN A 1 32  ? 25.149  -4.341  15.377  1.00 39.22 ? 32  ASN A ND2   1 
ATOM   244  N N     . THR A 1 33  ? 22.638  -2.203  18.301  1.00 8.96  ? 33  THR A N     1 
ATOM   245  C CA    . THR A 1 33  ? 21.449  -1.480  18.742  1.00 8.23  ? 33  THR A CA    1 
ATOM   246  C C     . THR A 1 33  ? 20.241  -2.412  18.819  1.00 7.73  ? 33  THR A C     1 
ATOM   247  O O     . THR A 1 33  ? 19.986  -3.189  17.889  1.00 12.90 ? 33  THR A O     1 
ATOM   248  C CB    . THR A 1 33  ? 21.135  -0.333  17.784  1.00 8.50  ? 33  THR A CB    1 
ATOM   249  O OG1   . THR A 1 33  ? 22.269  0.530   17.687  1.00 12.36 ? 33  THR A OG1   1 
ATOM   250  C CG2   . THR A 1 33  ? 19.954  0.470   18.307  1.00 9.43  ? 33  THR A CG2   1 
ATOM   251  N N     . MET A 1 34  ? 19.502  -2.338  19.929  1.00 7.06  ? 34  MET A N     1 
ATOM   252  C CA    . MET A 1 34  ? 18.266  -3.090  20.114  1.00 6.61  ? 34  MET A CA    1 
ATOM   253  C C     . MET A 1 34  ? 17.112  -2.104  20.274  1.00 7.49  ? 34  MET A C     1 
ATOM   254  O O     . MET A 1 34  ? 17.307  -1.007  20.808  1.00 7.46  ? 34  MET A O     1 
ATOM   255  C CB    . MET A 1 34  ? 18.346  -4.023  21.322  1.00 6.37  ? 34  MET A CB    1 
ATOM   256  C CG    . MET A 1 34  ? 18.088  -3.358  22.666  1.00 11.12 ? 34  MET A CG    1 
ATOM   257  S SD    . MET A 1 34  ? 16.325  -3.232  23.080  1.00 9.20  ? 34  MET A SD    1 
ATOM   258  C CE    . MET A 1 34  ? 15.744  -4.888  22.733  1.00 13.23 ? 34  MET A CE    1 
ATOM   259  N N     . THR A 1 35  ? 15.931  -2.452  19.744  1.00 7.22  ? 35  THR A N     1 
ATOM   260  C CA    . THR A 1 35  ? 14.776  -1.562  19.792  1.00 5.79  ? 35  THR A CA    1 
ATOM   261  C C     . THR A 1 35  ? 13.510  -2.301  20.203  1.00 7.24  ? 35  THR A C     1 
ATOM   262  O O     . THR A 1 35  ? 13.337  -3.484  19.899  1.00 7.90  ? 35  THR A O     1 
ATOM   263  C CB    . THR A 1 35  ? 14.536  -0.883  18.437  1.00 11.85 ? 35  THR A CB    1 
ATOM   264  O OG1   . THR A 1 35  ? 15.744  -0.245  18.018  1.00 14.40 ? 35  THR A OG1   1 
ATOM   265  C CG2   . THR A 1 35  ? 13.429  0.190   18.555  1.00 10.46 ? 35  THR A CG2   1 
ATOM   266  N N     . TRP A 1 36  ? 12.614  -1.583  20.887  1.00 5.99  ? 36  TRP A N     1 
ATOM   267  C CA    . TRP A 1 36  ? 11.270  -2.082  21.153  1.00 4.92  ? 36  TRP A CA    1 
ATOM   268  C C     . TRP A 1 36  ? 10.268  -1.268  20.344  1.00 5.14  ? 36  TRP A C     1 
ATOM   269  O O     . TRP A 1 36  ? 10.414  -0.052  20.213  1.00 5.44  ? 36  TRP A O     1 
ATOM   270  C CB    . TRP A 1 36  ? 10.892  -2.001  22.637  1.00 4.56  ? 36  TRP A CB    1 
ATOM   271  C CG    . TRP A 1 36  ? 11.671  -2.908  23.535  1.00 4.45  ? 36  TRP A CG    1 
ATOM   272  C CD1   . TRP A 1 36  ? 12.897  -2.673  24.090  1.00 8.78  ? 36  TRP A CD1   1 
ATOM   273  C CD2   . TRP A 1 36  ? 11.253  -4.194  24.010  1.00 4.41  ? 36  TRP A CD2   1 
ATOM   274  N NE1   . TRP A 1 36  ? 13.275  -3.741  24.873  1.00 6.73  ? 36  TRP A NE1   1 
ATOM   275  C CE2   . TRP A 1 36  ? 12.282  -4.686  24.843  1.00 4.46  ? 36  TRP A CE2   1 
ATOM   276  C CE3   . TRP A 1 36  ? 10.116  -4.986  23.791  1.00 9.89  ? 36  TRP A CE3   1 
ATOM   277  C CZ2   . TRP A 1 36  ? 12.214  -5.940  25.462  1.00 6.34  ? 36  TRP A CZ2   1 
ATOM   278  C CZ3   . TRP A 1 36  ? 10.044  -6.237  24.411  1.00 7.91  ? 36  TRP A CZ3   1 
ATOM   279  C CH2   . TRP A 1 36  ? 11.093  -6.699  25.237  1.00 10.84 ? 36  TRP A CH2   1 
ATOM   280  N N     . TYR A 1 37  ? 9.271   -1.961  19.788  1.00 5.26  ? 37  TYR A N     1 
ATOM   281  C CA    . TYR A 1 37  ? 8.134   -1.370  19.099  1.00 8.63  ? 37  TYR A CA    1 
ATOM   282  C C     . TYR A 1 37  ? 6.863   -1.953  19.698  1.00 9.09  ? 37  TYR A C     1 
ATOM   283  O O     . TYR A 1 37  ? 6.881   -2.999  20.346  1.00 8.34  ? 37  TYR A O     1 
ATOM   284  C CB    . TYR A 1 37  ? 8.143   -1.663  17.591  1.00 6.12  ? 37  TYR A CB    1 
ATOM   285  C CG    . TYR A 1 37  ? 9.394   -1.231  16.894  1.00 8.33  ? 37  TYR A CG    1 
ATOM   286  C CD1   . TYR A 1 37  ? 10.450  -2.112  16.745  1.00 13.59 ? 37  TYR A CD1   1 
ATOM   287  C CD2   . TYR A 1 37  ? 9.522   0.041   16.368  1.00 12.71 ? 37  TYR A CD2   1 
ATOM   288  C CE1   . TYR A 1 37  ? 11.609  -1.731  16.104  1.00 20.59 ? 37  TYR A CE1   1 
ATOM   289  C CE2   . TYR A 1 37  ? 10.674  0.430   15.734  1.00 10.66 ? 37  TYR A CE2   1 
ATOM   290  C CZ    . TYR A 1 37  ? 11.715  -0.463  15.602  1.00 14.88 ? 37  TYR A CZ    1 
ATOM   291  O OH    . TYR A 1 37  ? 12.869  -0.081  14.953  1.00 23.34 ? 37  TYR A OH    1 
ATOM   292  N N     . ARG A 1 38  ? 5.742   -1.294  19.453  1.00 5.80  ? 38  ARG A N     1 
ATOM   293  C CA    . ARG A 1 38  ? 4.475   -1.894  19.835  1.00 5.67  ? 38  ARG A CA    1 
ATOM   294  C C     . ARG A 1 38  ? 3.470   -1.642  18.729  1.00 6.26  ? 38  ARG A C     1 
ATOM   295  O O     . ARG A 1 38  ? 3.607   -0.708  17.939  1.00 7.85  ? 38  ARG A O     1 
ATOM   296  C CB    . ARG A 1 38  ? 3.962   -1.361  21.179  1.00 9.53  ? 38  ARG A CB    1 
ATOM   297  C CG    . ARG A 1 38  ? 3.548   0.093   21.174  1.00 9.36  ? 38  ARG A CG    1 
ATOM   298  C CD    . ARG A 1 38  ? 3.214   0.515   22.596  1.00 12.43 ? 38  ARG A CD    1 
ATOM   299  N NE    . ARG A 1 38  ? 2.797   1.902   22.643  1.00 13.40 ? 38  ARG A NE    1 
ATOM   300  C CZ    . ARG A 1 38  ? 2.421   2.537   23.745  1.00 14.09 ? 38  ARG A CZ    1 
ATOM   301  N NH1   . ARG A 1 38  ? 2.399   1.892   24.900  1.00 5.73  ? 38  ARG A NH1   1 
ATOM   302  N NH2   . ARG A 1 38  ? 2.039   3.808   23.683  1.00 13.15 ? 38  ARG A NH2   1 
ATOM   303  N N     . GLN A 1 39  ? 2.473   -2.519  18.660  1.00 6.45  ? 39  GLN A N     1 
ATOM   304  C CA    . GLN A 1 39  ? 1.450   -2.457  17.624  1.00 7.43  ? 39  GLN A CA    1 
ATOM   305  C C     . GLN A 1 39  ? 0.119   -2.563  18.343  1.00 16.75 ? 39  GLN A C     1 
ATOM   306  O O     . GLN A 1 39  ? -0.284  -3.670  18.705  1.00 13.30 ? 39  GLN A O     1 
ATOM   307  C CB    . GLN A 1 39  ? 1.648   -3.608  16.642  1.00 11.62 ? 39  GLN A CB    1 
ATOM   308  C CG    . GLN A 1 39  ? 2.226   -3.236  15.331  1.00 25.78 ? 39  GLN A CG    1 
ATOM   309  C CD    . GLN A 1 39  ? 2.350   -4.431  14.407  1.00 17.44 ? 39  GLN A CD    1 
ATOM   310  O OE1   . GLN A 1 39  ? 3.389   -4.606  13.794  1.00 21.71 ? 39  GLN A OE1   1 
ATOM   311  N NE2   . GLN A 1 39  ? 1.319   -5.275  14.338  1.00 19.95 ? 39  GLN A NE2   1 
ATOM   312  N N     . ALA A 1 40  ? -0.552  -1.420  18.523  1.00 15.07 ? 40  ALA A N     1 
ATOM   313  C CA    . ALA A 1 40  ? -1.830  -1.361  19.210  1.00 24.18 ? 40  ALA A CA    1 
ATOM   314  C C     . ALA A 1 40  ? -2.951  -1.771  18.262  1.00 27.67 ? 40  ALA A C     1 
ATOM   315  O O     . ALA A 1 40  ? -2.774  -1.762  17.041  1.00 42.36 ? 40  ALA A O     1 
ATOM   316  C CB    . ALA A 1 40  ? -2.066  0.044   19.759  1.00 25.03 ? 40  ALA A CB    1 
ATOM   317  N N     . PRO A 1 41  ? -4.127  -2.111  18.799  1.00 31.27 ? 41  PRO A N     1 
ATOM   318  C CA    . PRO A 1 41  ? -5.207  -2.659  17.940  1.00 35.38 ? 41  PRO A CA    1 
ATOM   319  C C     . PRO A 1 41  ? -5.552  -1.883  16.667  1.00 40.31 ? 41  PRO A C     1 
ATOM   320  O O     . PRO A 1 41  ? -5.604  -2.479  15.580  1.00 37.73 ? 41  PRO A O     1 
ATOM   321  C CB    . PRO A 1 41  ? -6.404  -2.700  18.906  1.00 24.59 ? 41  PRO A CB    1 
ATOM   322  C CG    . PRO A 1 41  ? -5.771  -2.952  20.257  1.00 23.07 ? 41  PRO A CG    1 
ATOM   323  C CD    . PRO A 1 41  ? -4.467  -2.172  20.235  1.00 31.79 ? 41  PRO A CD    1 
ATOM   324  N N     . GLY A 1 42  ? -5.816  -0.585  16.767  1.00 43.40 ? 42  GLY A N     1 
ATOM   325  C CA    . GLY A 1 42  ? -6.211  0.195   15.602  1.00 44.72 ? 42  GLY A CA    1 
ATOM   326  C C     . GLY A 1 42  ? -5.135  1.107   15.045  1.00 40.90 ? 42  GLY A C     1 
ATOM   327  O O     . GLY A 1 42  ? -5.436  2.077   14.339  1.00 36.04 ? 42  GLY A O     1 
ATOM   328  N N     . LYS A 1 43  ? -3.879  0.813   15.359  1.00 26.24 ? 43  LYS A N     1 
ATOM   329  C CA    . LYS A 1 43  ? -2.778  1.702   15.042  1.00 19.53 ? 43  LYS A CA    1 
ATOM   330  C C     . LYS A 1 43  ? -1.678  1.025   14.231  1.00 17.88 ? 43  LYS A C     1 
ATOM   331  O O     . LYS A 1 43  ? -1.582  -0.201  14.138  1.00 21.30 ? 43  LYS A O     1 
ATOM   332  C CB    . LYS A 1 43  ? -2.175  2.271   16.332  1.00 18.32 ? 43  LYS A CB    1 
ATOM   333  C CG    . LYS A 1 43  ? -3.165  3.120   17.136  1.00 30.69 ? 43  LYS A CG    1 
ATOM   334  C CD    . LYS A 1 43  ? -2.509  3.788   18.334  1.00 24.46 ? 43  LYS A CD    1 
ATOM   335  C CE    . LYS A 1 43  ? -3.515  4.659   19.073  1.00 33.35 ? 43  LYS A CE    1 
ATOM   336  N NZ    . LYS A 1 43  ? -2.914  5.379   20.230  1.00 36.48 ? 43  LYS A NZ    1 
ATOM   337  N N     . GLN A 1 44  ? -0.851  1.868   13.635  1.00 13.07 ? 44  GLN A N     1 
ATOM   338  C CA    . GLN A 1 44  ? 0.389   1.450   13.008  1.00 13.37 ? 44  GLN A CA    1 
ATOM   339  C C     . GLN A 1 44  ? 1.425   1.152   14.086  1.00 12.05 ? 44  GLN A C     1 
ATOM   340  O O     . GLN A 1 44  ? 1.315   1.602   15.236  1.00 8.93  ? 44  GLN A O     1 
ATOM   341  C CB    . GLN A 1 44  ? 0.915   2.563   12.106  1.00 22.13 ? 44  GLN A CB    1 
ATOM   342  C CG    . GLN A 1 44  ? -0.084  3.043   11.063  1.00 37.76 ? 44  GLN A CG    1 
ATOM   343  C CD    . GLN A 1 44  ? 0.101   4.521   10.731  1.00 50.09 ? 44  GLN A CD    1 
ATOM   344  O OE1   . GLN A 1 44  ? -0.850  5.302   10.803  1.00 51.34 ? 44  GLN A OE1   1 
ATOM   345  N NE2   . GLN A 1 44  ? 1.329   4.913   10.388  1.00 50.26 ? 44  GLN A NE2   1 
ATOM   346  N N     . ARG A 1 45  ? 2.456   0.411   13.693  1.00 9.22  ? 45  ARG A N     1 
ATOM   347  C CA    . ARG A 1 45  ? 3.544   0.092   14.604  1.00 10.61 ? 45  ARG A CA    1 
ATOM   348  C C     . ARG A 1 45  ? 4.260   1.373   15.023  1.00 10.97 ? 45  ARG A C     1 
ATOM   349  O O     . ARG A 1 45  ? 4.504   2.258   14.203  1.00 12.72 ? 45  ARG A O     1 
ATOM   350  C CB    . ARG A 1 45  ? 4.501   -0.878  13.908  1.00 10.65 ? 45  ARG A CB    1 
ATOM   351  C CG    . ARG A 1 45  ? 5.648   -1.373  14.749  1.00 14.86 ? 45  ARG A CG    1 
ATOM   352  C CD    . ARG A 1 45  ? 6.523   -2.359  13.953  1.00 15.15 ? 45  ARG A CD    1 
ATOM   353  N NE    . ARG A 1 45  ? 5.834   -3.644  13.759  1.00 9.92  ? 45  ARG A NE    1 
ATOM   354  C CZ    . ARG A 1 45  ? 6.331   -4.654  13.055  1.00 10.39 ? 45  ARG A CZ    1 
ATOM   355  N NH1   . ARG A 1 45  ? 7.511   -4.524  12.454  1.00 8.94  ? 45  ARG A NH1   1 
ATOM   356  N NH2   . ARG A 1 45  ? 5.647   -5.793  12.958  1.00 12.88 ? 45  ARG A NH2   1 
ATOM   357  N N     . GLU A 1 46  ? 4.574   1.492   16.312  1.00 7.56  ? 46  GLU A N     1 
ATOM   358  C CA    . GLU A 1 46  ? 5.218   2.702   16.805  1.00 8.98  ? 46  GLU A CA    1 
ATOM   359  C C     . GLU A 1 46  ? 6.450   2.366   17.638  1.00 12.71 ? 46  GLU A C     1 
ATOM   360  O O     . GLU A 1 46  ? 6.476   1.373   18.374  1.00 11.18 ? 46  GLU A O     1 
ATOM   361  C CB    . GLU A 1 46  ? 4.238   3.571   17.620  1.00 16.36 ? 46  GLU A CB    1 
ATOM   362  C CG    . GLU A 1 46  ? 3.709   2.947   18.901  1.00 26.28 ? 46  GLU A CG    1 
ATOM   363  C CD    . GLU A 1 46  ? 2.870   3.929   19.729  1.00 38.95 ? 46  GLU A CD    1 
ATOM   364  O OE1   . GLU A 1 46  ? 3.132   5.152   19.669  1.00 44.16 ? 46  GLU A OE1   1 
ATOM   365  O OE2   . GLU A 1 46  ? 1.940   3.482   20.429  1.00 39.21 ? 46  GLU A OE2   1 
ATOM   366  N N     . TRP A 1 47  ? 7.474   3.198   17.504  1.00 7.05  ? 47  TRP A N     1 
ATOM   367  C CA    . TRP A 1 47  ? 8.659   3.063   18.341  1.00 6.59  ? 47  TRP A CA    1 
ATOM   368  C C     . TRP A 1 47  ? 8.331   3.252   19.819  1.00 6.13  ? 47  TRP A C     1 
ATOM   369  O O     . TRP A 1 47  ? 7.510   4.097   20.191  1.00 6.34  ? 47  TRP A O     1 
ATOM   370  C CB    . TRP A 1 47  ? 9.712   4.072   17.880  1.00 12.22 ? 47  TRP A CB    1 
ATOM   371  C CG    . TRP A 1 47  ? 10.947  4.126   18.721  1.00 7.78  ? 47  TRP A CG    1 
ATOM   372  C CD1   . TRP A 1 47  ? 11.930  3.183   18.774  1.00 6.69  ? 47  TRP A CD1   1 
ATOM   373  C CD2   . TRP A 1 47  ? 11.403  5.229   19.534  1.00 6.81  ? 47  TRP A CD2   1 
ATOM   374  N NE1   . TRP A 1 47  ? 12.942  3.600   19.617  1.00 6.37  ? 47  TRP A NE1   1 
ATOM   375  C CE2   . TRP A 1 47  ? 12.644  4.851   20.091  1.00 9.06  ? 47  TRP A CE2   1 
ATOM   376  C CE3   . TRP A 1 47  ? 10.879  6.492   19.845  1.00 8.30  ? 47  TRP A CE3   1 
ATOM   377  C CZ2   . TRP A 1 47  ? 13.374  5.690   20.951  1.00 10.52 ? 47  TRP A CZ2   1 
ATOM   378  C CZ3   . TRP A 1 47  ? 11.603  7.323   20.710  1.00 10.54 ? 47  TRP A CZ3   1 
ATOM   379  C CH2   . TRP A 1 47  ? 12.834  6.916   21.248  1.00 14.49 ? 47  TRP A CH2   1 
ATOM   380  N N     . VAL A 1 48  ? 8.981   2.449   20.668  1.00 6.88  ? 48  VAL A N     1 
ATOM   381  C CA    . VAL A 1 48  ? 8.837   2.535   22.115  1.00 7.16  ? 48  VAL A CA    1 
ATOM   382  C C     . VAL A 1 48  ? 10.144  2.954   22.787  1.00 7.35  ? 48  VAL A C     1 
ATOM   383  O O     . VAL A 1 48  ? 10.156  3.896   23.582  1.00 9.86  ? 48  VAL A O     1 
ATOM   384  C CB    . VAL A 1 48  ? 8.302   1.212   22.706  1.00 7.17  ? 48  VAL A CB    1 
ATOM   385  C CG1   . VAL A 1 48  ? 8.371   1.227   24.248  1.00 6.71  ? 48  VAL A CG1   1 
ATOM   386  C CG2   . VAL A 1 48  ? 6.856   1.010   22.269  1.00 5.08  ? 48  VAL A CG2   1 
ATOM   387  N N     . ALA A 1 49  ? 11.252  2.268   22.481  1.00 5.15  ? 49  ALA A N     1 
ATOM   388  C CA    . ALA A 1 49  ? 12.520  2.541   23.162  1.00 5.17  ? 49  ALA A CA    1 
ATOM   389  C C     . ALA A 1 49  ? 13.679  1.912   22.393  1.00 7.26  ? 49  ALA A C     1 
ATOM   390  O O     . ALA A 1 49  ? 13.506  0.946   21.643  1.00 5.29  ? 49  ALA A O     1 
ATOM   391  C CB    . ALA A 1 49  ? 12.511  2.009   24.601  1.00 4.85  ? 49  ALA A CB    1 
ATOM   392  N N     . THR A 1 50  ? 14.877  2.461   22.618  1.00 5.55  ? 50  THR A N     1 
ATOM   393  C CA    . THR A 1 50  ? 16.102  1.950   22.017  1.00 8.78  ? 50  THR A CA    1 
ATOM   394  C C     . THR A 1 50  ? 17.206  1.871   23.059  1.00 9.89  ? 50  THR A C     1 
ATOM   395  O O     . THR A 1 50  ? 17.357  2.785   23.877  1.00 6.85  ? 50  THR A O     1 
ATOM   396  C CB    . THR A 1 50  ? 16.596  2.867   20.894  1.00 12.58 ? 50  THR A CB    1 
ATOM   397  O OG1   . THR A 1 50  ? 15.618  2.910   19.854  1.00 13.74 ? 50  THR A OG1   1 
ATOM   398  C CG2   . THR A 1 50  ? 17.920  2.351   20.337  1.00 9.11  ? 50  THR A CG2   1 
ATOM   399  N N     . MET A 1 51  ? 18.004  0.805   23.011  1.00 5.92  ? 51  MET A N     1 
ATOM   400  C CA    . MET A 1 51  ? 19.244  0.745   23.784  1.00 7.47  ? 51  MET A CA    1 
ATOM   401  C C     . MET A 1 51  ? 20.405  0.453   22.841  1.00 9.42  ? 51  MET A C     1 
ATOM   402  O O     . MET A 1 51  ? 20.388  -0.553  22.121  1.00 8.40  ? 51  MET A O     1 
ATOM   403  C CB    . MET A 1 51  ? 19.191  -0.309  24.898  1.00 6.91  ? 51  MET A CB    1 
ATOM   404  C CG    . MET A 1 51  ? 20.514  -0.347  25.678  1.00 8.30  ? 51  MET A CG    1 
ATOM   405  S SD    . MET A 1 51  ? 20.637  -1.635  26.933  1.00 12.74 ? 51  MET A SD    1 
ATOM   406  C CE    . MET A 1 51  ? 19.427  -1.047  28.100  1.00 12.25 ? 51  MET A CE    1 
ATOM   407  N N     . ARG A 1 52  ? 21.420  1.315   22.862  1.00 7.20  ? 52  ARG A N     1 
ATOM   408  C CA    . ARG A 1 52  ? 22.581  1.109   22.007  1.00 7.85  ? 52  ARG A CA    1 
ATOM   409  C C     . ARG A 1 52  ? 23.524  0.063   22.595  1.00 8.09  ? 52  ARG A C     1 
ATOM   410  O O     . ARG A 1 52  ? 23.380  -0.373  23.732  1.00 7.80  ? 52  ARG A O     1 
ATOM   411  C CB    . ARG A 1 52  ? 23.348  2.414   21.761  1.00 11.35 ? 52  ARG A CB    1 
ATOM   412  C CG    . ARG A 1 52  ? 22.482  3.554   21.215  1.00 10.38 ? 52  ARG A CG    1 
ATOM   413  C CD    . ARG A 1 52  ? 23.355  4.633   20.557  1.00 16.79 ? 52  ARG A CD    1 
ATOM   414  N NE    . ARG A 1 52  ? 23.966  4.082   19.342  1.00 9.78  ? 52  ARG A NE    1 
ATOM   415  C CZ    . ARG A 1 52  ? 23.343  4.009   18.166  1.00 11.45 ? 52  ARG A CZ    1 
ATOM   416  N NH1   . ARG A 1 52  ? 22.102  4.454   18.038  1.00 10.68 ? 52  ARG A NH1   1 
ATOM   417  N NH2   . ARG A 1 52  ? 23.956  3.477   17.116  1.00 17.58 ? 52  ARG A NH2   1 
ATOM   418  N N     . SER A 1 53  ? 24.491  -0.363  21.781  1.00 8.75  ? 53  SER A N     1 
ATOM   419  C CA    . SER A 1 53  ? 25.489  -1.313  22.262  1.00 12.17 ? 53  SER A CA    1 
ATOM   420  C C     . SER A 1 53  ? 26.097  -0.848  23.582  1.00 15.13 ? 53  SER A C     1 
ATOM   421  O O     . SER A 1 53  ? 26.311  -1.652  24.492  1.00 9.29  ? 53  SER A O     1 
ATOM   422  C CB    . SER A 1 53  ? 26.599  -1.481  21.215  1.00 10.27 ? 53  SER A CB    1 
ATOM   423  O OG    . SER A 1 53  ? 27.245  -0.234  20.933  1.00 10.56 ? 53  SER A OG    1 
ATOM   424  N N     . ILE A 1 54  ? 26.371  0.456   23.707  1.00 12.83 ? 54  ILE A N     1 
ATOM   425  C CA    . ILE A 1 54  ? 27.010  0.988   24.914  1.00 13.28 ? 54  ILE A CA    1 
ATOM   426  C C     . ILE A 1 54  ? 26.055  1.141   26.088  1.00 9.07  ? 54  ILE A C     1 
ATOM   427  O O     . ILE A 1 54  ? 26.477  1.623   27.151  1.00 9.89  ? 54  ILE A O     1 
ATOM   428  C CB    . ILE A 1 54  ? 27.720  2.332   24.639  1.00 10.30 ? 54  ILE A CB    1 
ATOM   429  C CG1   . ILE A 1 54  ? 26.772  3.369   24.040  1.00 10.81 ? 54  ILE A CG1   1 
ATOM   430  C CG2   . ILE A 1 54  ? 28.948  2.123   23.720  1.00 11.20 ? 54  ILE A CG2   1 
ATOM   431  C CD1   . ILE A 1 54  ? 27.401  4.766   23.984  1.00 11.80 ? 54  ILE A CD1   1 
ATOM   432  N N     . GLY A 1 55  ? 24.768  0.828   25.917  1.00 8.34  ? 55  GLY A N     1 
ATOM   433  C CA    . GLY A 1 55  ? 23.830  0.827   27.023  1.00 8.39  ? 55  GLY A CA    1 
ATOM   434  C C     . GLY A 1 55  ? 22.991  2.085   27.149  1.00 12.30 ? 55  GLY A C     1 
ATOM   435  O O     . GLY A 1 55  ? 22.158  2.167   28.063  1.00 7.75  ? 55  GLY A O     1 
ATOM   436  N N     . THR A 1 56  ? 23.219  3.086   26.300  1.00 7.87  ? 56  THR A N     1 
ATOM   437  C CA    . THR A 1 56  ? 22.455  4.328   26.377  1.00 7.80  ? 56  THR A CA    1 
ATOM   438  C C     . THR A 1 56  ? 21.038  4.110   25.855  1.00 7.20  ? 56  THR A C     1 
ATOM   439  O O     . THR A 1 56  ? 20.813  3.329   24.929  1.00 7.00  ? 56  THR A O     1 
ATOM   440  C CB    . THR A 1 56  ? 23.149  5.416   25.562  1.00 8.44  ? 56  THR A CB    1 
ATOM   441  O OG1   . THR A 1 56  ? 23.410  4.924   24.237  1.00 8.55  ? 56  THR A OG1   1 
ATOM   442  C CG2   . THR A 1 56  ? 24.479  5.809   26.218  1.00 9.79  ? 56  THR A CG2   1 
ATOM   443  N N     . THR A 1 57  ? 20.079  4.854   26.415  1.00 7.04  ? 57  THR A N     1 
ATOM   444  C CA    . THR A 1 57  ? 18.666  4.594   26.159  1.00 7.87  ? 57  THR A CA    1 
ATOM   445  C C     . THR A 1 57  ? 17.900  5.838   25.722  1.00 10.51 ? 57  THR A C     1 
ATOM   446  O O     . THR A 1 57  ? 18.163  6.963   26.171  1.00 7.95  ? 57  THR A O     1 
ATOM   447  C CB    . THR A 1 57  ? 17.982  4.007   27.410  1.00 8.85  ? 57  THR A CB    1 
ATOM   448  O OG1   . THR A 1 57  ? 18.251  4.872   28.521  1.00 7.85  ? 57  THR A OG1   1 
ATOM   449  C CG2   . THR A 1 57  ? 18.499  2.608   27.706  1.00 9.59  ? 57  THR A CG2   1 
ATOM   450  N N     . ARG A 1 58  ? 16.940  5.611   24.832  1.00 6.50  ? 58  ARG A N     1 
ATOM   451  C CA    A ARG A 1 58  ? 16.001  6.642   24.415  0.65 6.73  ? 58  ARG A CA    1 
ATOM   452  C CA    B ARG A 1 58  ? 16.001  6.634   24.403  0.35 6.73  ? 58  ARG A CA    1 
ATOM   453  C C     . ARG A 1 58  ? 14.591  6.074   24.463  1.00 7.53  ? 58  ARG A C     1 
ATOM   454  O O     . ARG A 1 58  ? 14.373  4.886   24.195  1.00 6.43  ? 58  ARG A O     1 
ATOM   455  C CB    A ARG A 1 58  ? 16.289  7.182   22.994  0.65 7.22  ? 58  ARG A CB    1 
ATOM   456  C CB    B ARG A 1 58  ? 16.303  7.116   22.988  0.35 7.19  ? 58  ARG A CB    1 
ATOM   457  C CG    A ARG A 1 58  ? 17.459  8.196   22.876  0.65 11.31 ? 58  ARG A CG    1 
ATOM   458  C CG    B ARG A 1 58  ? 17.726  7.588   22.831  0.35 10.69 ? 58  ARG A CG    1 
ATOM   459  C CD    A ARG A 1 58  ? 17.225  9.496   23.656  0.65 8.38  ? 58  ARG A CD    1 
ATOM   460  C CD    B ARG A 1 58  ? 17.925  8.357   21.550  0.35 8.40  ? 58  ARG A CD    1 
ATOM   461  N NE    A ARG A 1 58  ? 17.892  10.674  23.070  0.65 9.26  ? 58  ARG A NE    1 
ATOM   462  N NE    B ARG A 1 58  ? 18.707  9.554   21.827  0.35 19.44 ? 58  ARG A NE    1 
ATOM   463  C CZ    A ARG A 1 58  ? 18.041  11.839  23.707  0.65 14.69 ? 58  ARG A CZ    1 
ATOM   464  C CZ    B ARG A 1 58  ? 19.355  10.251  20.910  0.35 9.89  ? 58  ARG A CZ    1 
ATOM   465  N NH1   A ARG A 1 58  ? 17.579  11.977  24.951  0.65 9.72  ? 58  ARG A NH1   1 
ATOM   466  N NH1   B ARG A 1 58  ? 20.041  11.329  21.261  0.35 12.31 ? 58  ARG A NH1   1 
ATOM   467  N NH2   A ARG A 1 58  ? 18.649  12.868  23.112  0.65 10.78 ? 58  ARG A NH2   1 
ATOM   468  N NH2   B ARG A 1 58  ? 19.324  9.859   19.654  0.35 10.06 ? 58  ARG A NH2   1 
ATOM   469  N N     . TYR A 1 59  ? 13.637  6.938   24.806  1.00 6.48  ? 59  TYR A N     1 
ATOM   470  C CA    . TYR A 1 59  ? 12.256  6.521   24.994  1.00 6.79  ? 59  TYR A CA    1 
ATOM   471  C C     . TYR A 1 59  ? 11.307  7.437   24.238  1.00 6.63  ? 59  TYR A C     1 
ATOM   472  O O     . TYR A 1 59  ? 11.537  8.642   24.140  1.00 7.23  ? 59  TYR A O     1 
ATOM   473  C CB    . TYR A 1 59  ? 11.871  6.525   26.473  1.00 6.09  ? 59  TYR A CB    1 
ATOM   474  C CG    . TYR A 1 59  ? 12.776  5.692   27.333  1.00 7.43  ? 59  TYR A CG    1 
ATOM   475  C CD1   . TYR A 1 59  ? 12.504  4.363   27.550  1.00 6.37  ? 59  TYR A CD1   1 
ATOM   476  C CD2   . TYR A 1 59  ? 13.901  6.245   27.941  1.00 9.62  ? 59  TYR A CD2   1 
ATOM   477  C CE1   . TYR A 1 59  ? 13.323  3.587   28.342  1.00 5.58  ? 59  TYR A CE1   1 
ATOM   478  C CE2   . TYR A 1 59  ? 14.718  5.478   28.736  1.00 7.77  ? 59  TYR A CE2   1 
ATOM   479  C CZ    . TYR A 1 59  ? 14.421  4.148   28.925  1.00 8.51  ? 59  TYR A CZ    1 
ATOM   480  O OH    . TYR A 1 59  ? 15.229  3.367   29.705  1.00 6.48  ? 59  TYR A OH    1 
ATOM   481  N N     . ALA A 1 60  ? 10.214  6.842   23.746  1.00 6.44  ? 60  ALA A N     1 
ATOM   482  C CA    . ALA A 1 60  ? 9.138   7.577   23.094  1.00 10.81 ? 60  ALA A CA    1 
ATOM   483  C C     . ALA A 1 60  ? 8.390   8.486   24.072  1.00 9.47  ? 60  ALA A C     1 
ATOM   484  O O     . ALA A 1 60  ? 8.291   8.205   25.266  1.00 8.47  ? 60  ALA A O     1 
ATOM   485  C CB    . ALA A 1 60  ? 8.146   6.601   22.461  1.00 8.83  ? 60  ALA A CB    1 
ATOM   486  N N     A SER A 1 61  ? 7.822   9.571   23.535  0.50 9.49  ? 61  SER A N     1 
ATOM   487  N N     B SER A 1 61  ? 7.849   9.588   23.538  0.50 9.51  ? 61  SER A N     1 
ATOM   488  C CA    A SER A 1 61  ? 7.109   10.524  24.380  0.50 10.79 ? 61  SER A CA    1 
ATOM   489  C CA    B SER A 1 61  ? 7.092   10.518  24.370  0.50 10.86 ? 61  SER A CA    1 
ATOM   490  C C     A SER A 1 61  ? 5.908   9.891   25.073  0.50 8.34  ? 61  SER A C     1 
ATOM   491  C C     B SER A 1 61  ? 5.981   9.809   25.127  0.50 10.13 ? 61  SER A C     1 
ATOM   492  O O     A SER A 1 61  ? 5.520   10.334  26.157  0.50 13.05 ? 61  SER A O     1 
ATOM   493  O O     B SER A 1 61  ? 5.741   10.094  26.304  0.50 12.58 ? 61  SER A O     1 
ATOM   494  C CB    A SER A 1 61  ? 6.656   11.722  23.549  0.50 13.41 ? 61  SER A CB    1 
ATOM   495  C CB    B SER A 1 61  ? 6.505   11.644  23.515  0.50 13.07 ? 61  SER A CB    1 
ATOM   496  O OG    A SER A 1 61  ? 5.896   11.282  22.444  0.50 14.52 ? 61  SER A OG    1 
ATOM   497  O OG    B SER A 1 61  ? 7.497   12.591  23.171  0.50 11.55 ? 61  SER A OG    1 
ATOM   498  N N     . SER A 1 62  ? 5.303   8.864   24.474  1.00 7.92  ? 62  SER A N     1 
ATOM   499  C CA    . SER A 1 62  ? 4.136   8.243   25.088  1.00 14.09 ? 62  SER A CA    1 
ATOM   500  C C     . SER A 1 62  ? 4.480   7.344   26.273  1.00 15.95 ? 62  SER A C     1 
ATOM   501  O O     . SER A 1 62  ? 3.573   6.980   27.029  1.00 10.77 ? 62  SER A O     1 
ATOM   502  C CB    . SER A 1 62  ? 3.345   7.453   24.047  1.00 11.22 ? 62  SER A CB    1 
ATOM   503  O OG    . SER A 1 62  ? 4.149   6.446   23.468  1.00 19.40 ? 62  SER A OG    1 
ATOM   504  N N     . VAL A 1 63  ? 5.739   6.950   26.447  1.00 6.73  ? 63  VAL A N     1 
ATOM   505  C CA    . VAL A 1 63  ? 6.111   6.075   27.558  1.00 6.28  ? 63  VAL A CA    1 
ATOM   506  C C     . VAL A 1 63  ? 7.177   6.663   28.469  1.00 12.01 ? 63  VAL A C     1 
ATOM   507  O O     . VAL A 1 63  ? 7.484   6.049   29.504  1.00 11.41 ? 63  VAL A O     1 
ATOM   508  C CB    . VAL A 1 63  ? 6.571   4.688   27.055  1.00 5.97  ? 63  VAL A CB    1 
ATOM   509  C CG1   . VAL A 1 63  ? 5.554   4.109   26.093  1.00 9.11  ? 63  VAL A CG1   1 
ATOM   510  C CG2   . VAL A 1 63  ? 7.947   4.785   26.407  1.00 5.53  ? 63  VAL A CG2   1 
ATOM   511  N N     . GLU A 1 64  ? 7.763   7.808   28.142  1.00 12.89 ? 64  GLU A N     1 
ATOM   512  C CA    . GLU A 1 64  ? 8.861   8.320   28.949  1.00 12.66 ? 64  GLU A CA    1 
ATOM   513  C C     . GLU A 1 64  ? 8.405   8.544   30.389  1.00 8.74  ? 64  GLU A C     1 
ATOM   514  O O     . GLU A 1 64  ? 7.277   8.972   30.644  1.00 11.14 ? 64  GLU A O     1 
ATOM   515  C CB    . GLU A 1 64  ? 9.406   9.615   28.335  1.00 14.13 ? 64  GLU A CB    1 
ATOM   516  C CG    . GLU A 1 64  ? 8.385   10.708  28.173  1.00 21.11 ? 64  GLU A CG    1 
ATOM   517  C CD    . GLU A 1 64  ? 8.458   11.718  29.284  1.00 33.11 ? 64  GLU A CD    1 
ATOM   518  O OE1   . GLU A 1 64  ? 7.768   12.751  29.188  1.00 39.01 ? 64  GLU A OE1   1 
ATOM   519  O OE2   . GLU A 1 64  ? 9.214   11.479  30.248  1.00 36.01 ? 64  GLU A OE2   1 
ATOM   520  N N     . GLY A 1 65  ? 9.284   8.239   31.335  1.00 11.12 ? 65  GLY A N     1 
ATOM   521  C CA    . GLY A 1 65  ? 8.948   8.340   32.735  1.00 19.24 ? 65  GLY A CA    1 
ATOM   522  C C     . GLY A 1 65  ? 8.194   7.159   33.300  1.00 17.09 ? 65  GLY A C     1 
ATOM   523  O O     . GLY A 1 65  ? 8.114   7.025   34.524  1.00 22.11 ? 65  GLY A O     1 
ATOM   524  N N     . ARG A 1 66  ? 7.615   6.310   32.453  1.00 6.88  ? 66  ARG A N     1 
ATOM   525  C CA    . ARG A 1 66  ? 6.909   5.108   32.882  1.00 6.60  ? 66  ARG A CA    1 
ATOM   526  C C     . ARG A 1 66  ? 7.622   3.816   32.512  1.00 9.57  ? 66  ARG A C     1 
ATOM   527  O O     . ARG A 1 66  ? 7.554   2.842   33.266  1.00 10.82 ? 66  ARG A O     1 
ATOM   528  C CB    . ARG A 1 66  ? 5.504   5.084   32.263  1.00 6.65  ? 66  ARG A CB    1 
ATOM   529  C CG    . ARG A 1 66  ? 4.643   6.270   32.666  1.00 7.43  ? 66  ARG A CG    1 
ATOM   530  C CD    . ARG A 1 66  ? 3.219   6.172   32.139  1.00 10.13 ? 66  ARG A CD    1 
ATOM   531  N NE    . ARG A 1 66  ? 3.140   6.021   30.681  1.00 7.42  ? 66  ARG A NE    1 
ATOM   532  C CZ    . ARG A 1 66  ? 2.583   4.984   30.062  1.00 9.17  ? 66  ARG A CZ    1 
ATOM   533  N NH1   . ARG A 1 66  ? 2.568   4.927   28.736  1.00 8.67  ? 66  ARG A NH1   1 
ATOM   534  N NH2   . ARG A 1 66  ? 2.031   3.999   30.759  1.00 6.77  ? 66  ARG A NH2   1 
ATOM   535  N N     . PHE A 1 67  ? 8.276   3.771   31.351  1.00 11.57 ? 67  PHE A N     1 
ATOM   536  C CA    . PHE A 1 67  ? 8.973   2.585   30.865  1.00 11.67 ? 67  PHE A CA    1 
ATOM   537  C C     . PHE A 1 67  ? 10.480  2.785   30.991  1.00 8.45  ? 67  PHE A C     1 
ATOM   538  O O     . PHE A 1 67  ? 10.995  3.864   30.686  1.00 9.84  ? 67  PHE A O     1 
ATOM   539  C CB    . PHE A 1 67  ? 8.641   2.286   29.384  1.00 4.88  ? 67  PHE A CB    1 
ATOM   540  C CG    . PHE A 1 67  ? 7.199   1.881   29.109  1.00 6.16  ? 67  PHE A CG    1 
ATOM   541  C CD1   . PHE A 1 67  ? 6.192   2.052   30.053  1.00 8.29  ? 67  PHE A CD1   1 
ATOM   542  C CD2   . PHE A 1 67  ? 6.859   1.335   27.866  1.00 8.07  ? 67  PHE A CD2   1 
ATOM   543  C CE1   . PHE A 1 67  ? 4.869   1.685   29.765  1.00 7.58  ? 67  PHE A CE1   1 
ATOM   544  C CE2   . PHE A 1 67  ? 5.537   0.957   27.573  1.00 5.08  ? 67  PHE A CE2   1 
ATOM   545  C CZ    . PHE A 1 67  ? 4.548   1.129   28.523  1.00 6.04  ? 67  PHE A CZ    1 
ATOM   546  N N     A THR A 1 68  ? 11.173  1.727   31.416  0.43 5.81  ? 68  THR A N     1 
ATOM   547  N N     B THR A 1 68  ? 11.200  1.750   31.419  0.57 5.52  ? 68  THR A N     1 
ATOM   548  C CA    A THR A 1 68  ? 12.621  1.720   31.581  0.43 7.31  ? 68  THR A CA    1 
ATOM   549  C CA    B THR A 1 68  ? 12.653  1.849   31.467  0.57 6.81  ? 68  THR A CA    1 
ATOM   550  C C     A THR A 1 68  ? 13.218  0.507   30.876  0.43 8.36  ? 68  THR A C     1 
ATOM   551  C C     B THR A 1 68  ? 13.306  0.546   31.029  0.57 8.51  ? 68  THR A C     1 
ATOM   552  O O     A THR A 1 68  ? 12.612  -0.572  30.854  0.43 8.96  ? 68  THR A O     1 
ATOM   553  O O     B THR A 1 68  ? 12.835  -0.551  31.358  0.57 10.10 ? 68  THR A O     1 
ATOM   554  C CB    A THR A 1 68  ? 13.014  1.683   33.073  0.43 6.96  ? 68  THR A CB    1 
ATOM   555  C CB    B THR A 1 68  ? 13.160  2.218   32.868  0.57 6.37  ? 68  THR A CB    1 
ATOM   556  O OG1   A THR A 1 68  ? 12.242  2.638   33.813  0.43 9.11  ? 68  THR A OG1   1 
ATOM   557  O OG1   B THR A 1 68  ? 12.638  1.287   33.821  0.57 8.49  ? 68  THR A OG1   1 
ATOM   558  C CG2   A THR A 1 68  ? 14.494  1.990   33.247  0.43 5.88  ? 68  THR A CG2   1 
ATOM   559  C CG2   B THR A 1 68  ? 12.741  3.645   33.247  0.57 13.27 ? 68  THR A CG2   1 
ATOM   560  N N     . LEU A 1 69  ? 14.413  0.687   30.312  1.00 6.87  ? 69  LEU A N     1 
ATOM   561  C CA    A LEU A 1 69  ? 15.210  -0.403  29.754  0.84 7.63  ? 69  LEU A CA    1 
ATOM   562  C CA    B LEU A 1 69  ? 15.183  -0.426  29.778  0.16 8.23  ? 69  LEU A CA    1 
ATOM   563  C C     . LEU A 1 69  ? 16.367  -0.737  30.680  1.00 9.41  ? 69  LEU A C     1 
ATOM   564  O O     . LEU A 1 69  ? 16.994  0.160   31.251  1.00 11.80 ? 69  LEU A O     1 
ATOM   565  C CB    A LEU A 1 69  ? 15.786  -0.035  28.381  0.84 9.64  ? 69  LEU A CB    1 
ATOM   566  C CB    B LEU A 1 69  ? 15.696  -0.120  28.367  0.16 10.08 ? 69  LEU A CB    1 
ATOM   567  C CG    A LEU A 1 69  ? 14.932  -0.271  27.151  0.84 13.21 ? 69  LEU A CG    1 
ATOM   568  C CG    B LEU A 1 69  ? 14.738  -0.275  27.188  0.16 11.57 ? 69  LEU A CG    1 
ATOM   569  C CD1   A LEU A 1 69  ? 15.684  0.155   25.893  0.84 12.77 ? 69  LEU A CD1   1 
ATOM   570  C CD1   B LEU A 1 69  ? 13.561  0.661   27.332  0.16 9.71  ? 69  LEU A CD1   1 
ATOM   571  C CD2   A LEU A 1 69  ? 14.559  -1.746  27.085  0.84 10.18 ? 69  LEU A CD2   1 
ATOM   572  C CD2   B LEU A 1 69  ? 15.469  -0.029  25.873  0.16 12.60 ? 69  LEU A CD2   1 
ATOM   573  N N     . SER A 1 70  ? 16.666  -2.023  30.809  1.00 7.11  ? 70  SER A N     1 
ATOM   574  C CA    . SER A 1 70  ? 17.897  -2.412  31.474  1.00 7.82  ? 70  SER A CA    1 
ATOM   575  C C     . SER A 1 70  ? 18.394  -3.670  30.780  1.00 7.92  ? 70  SER A C     1 
ATOM   576  O O     . SER A 1 70  ? 17.658  -4.316  30.029  1.00 9.27  ? 70  SER A O     1 
ATOM   577  C CB    . SER A 1 70  ? 17.694  -2.613  32.979  1.00 11.83 ? 70  SER A CB    1 
ATOM   578  O OG    . SER A 1 70  ? 16.823  -3.696  33.212  1.00 13.95 ? 70  SER A OG    1 
ATOM   579  N N     . ARG A 1 71  ? 19.662  -3.988  31.007  1.00 6.46  ? 71  ARG A N     1 
ATOM   580  C CA    . ARG A 1 71  ? 20.288  -5.107  30.317  1.00 6.74  ? 71  ARG A CA    1 
ATOM   581  C C     . ARG A 1 71  ? 21.124  -5.919  31.288  1.00 13.95 ? 71  ARG A C     1 
ATOM   582  O O     . ARG A 1 71  ? 21.787  -5.354  32.169  1.00 11.23 ? 71  ARG A O     1 
ATOM   583  C CB    . ARG A 1 71  ? 21.157  -4.590  29.162  1.00 8.44  ? 71  ARG A CB    1 
ATOM   584  C CG    . ARG A 1 71  ? 21.948  -5.644  28.407  1.00 8.82  ? 71  ARG A CG    1 
ATOM   585  C CD    . ARG A 1 71  ? 22.552  -5.030  27.142  1.00 8.85  ? 71  ARG A CD    1 
ATOM   586  N NE    . ARG A 1 71  ? 23.609  -4.077  27.452  1.00 10.34 ? 71  ARG A NE    1 
ATOM   587  C CZ    . ARG A 1 71  ? 24.129  -3.217  26.589  1.00 11.66 ? 71  ARG A CZ    1 
ATOM   588  N NH1   . ARG A 1 71  ? 23.670  -3.162  25.347  1.00 7.85  ? 71  ARG A NH1   1 
ATOM   589  N NH2   . ARG A 1 71  ? 25.121  -2.421  26.971  1.00 10.31 ? 71  ARG A NH2   1 
ATOM   590  N N     . ASP A 1 72  ? 21.044  -7.250  31.147  1.00 8.37  ? 72  ASP A N     1 
ATOM   591  C CA    . ASP A 1 72  ? 21.863  -8.200  31.896  1.00 9.71  ? 72  ASP A CA    1 
ATOM   592  C C     . ASP A 1 72  ? 22.765  -8.886  30.881  1.00 12.69 ? 72  ASP A C     1 
ATOM   593  O O     . ASP A 1 72  ? 22.305  -9.758  30.140  1.00 10.90 ? 72  ASP A O     1 
ATOM   594  C CB    . ASP A 1 72  ? 20.985  -9.212  32.632  1.00 11.53 ? 72  ASP A CB    1 
ATOM   595  C CG    . ASP A 1 72  ? 21.786  -10.182 33.493  1.00 18.91 ? 72  ASP A CG    1 
ATOM   596  O OD1   . ASP A 1 72  ? 22.948  -10.470 33.156  1.00 18.06 ? 72  ASP A OD1   1 
ATOM   597  O OD2   . ASP A 1 72  ? 21.230  -10.696 34.488  1.00 24.68 ? 72  ASP A OD2   1 
ATOM   598  N N     . ASN A 1 73  ? 24.050  -8.516  30.863  1.00 9.49  ? 73  ASN A N     1 
ATOM   599  C CA    . ASN A 1 73  ? 24.948  -9.057  29.847  1.00 10.04 ? 73  ASN A CA    1 
ATOM   600  C C     . ASN A 1 73  ? 25.209  -10.541 30.070  1.00 12.13 ? 73  ASN A C     1 
ATOM   601  O O     . ASN A 1 73  ? 25.283  -11.316 29.107  1.00 13.60 ? 73  ASN A O     1 
ATOM   602  C CB    . ASN A 1 73  ? 26.266  -8.277  29.813  1.00 10.56 ? 73  ASN A CB    1 
ATOM   603  C CG    . ASN A 1 73  ? 26.150  -6.948  29.063  1.00 14.00 ? 73  ASN A CG    1 
ATOM   604  O OD1   . ASN A 1 73  ? 25.355  -6.804  28.128  1.00 14.09 ? 73  ASN A OD1   1 
ATOM   605  N ND2   . ASN A 1 73  ? 26.958  -5.973  29.467  1.00 19.86 ? 73  ASN A ND2   1 
ATOM   606  N N     . ALA A 1 74  ? 25.288  -10.968 31.332  1.00 11.75 ? 74  ALA A N     1 
ATOM   607  C CA    . ALA A 1 74  ? 25.599  -12.366 31.605  1.00 17.97 ? 74  ALA A CA    1 
ATOM   608  C C     . ALA A 1 74  ? 24.476  -13.275 31.132  1.00 11.94 ? 74  ALA A C     1 
ATOM   609  O O     . ALA A 1 74  ? 24.736  -14.421 30.747  1.00 13.66 ? 74  ALA A O     1 
ATOM   610  C CB    . ALA A 1 74  ? 25.856  -12.576 33.096  1.00 19.98 ? 74  ALA A CB    1 
ATOM   611  N N     . LYS A 1 75  ? 23.257  -12.764 31.072  1.00 10.95 ? 75  LYS A N     1 
ATOM   612  C CA    . LYS A 1 75  ? 22.125  -13.534 30.585  1.00 12.98 ? 75  LYS A CA    1 
ATOM   613  C C     . LYS A 1 75  ? 21.747  -13.126 29.175  1.00 13.17 ? 75  LYS A C     1 
ATOM   614  O O     . LYS A 1 75  ? 20.776  -13.666 28.628  1.00 10.70 ? 75  LYS A O     1 
ATOM   615  C CB    . LYS A 1 75  ? 20.910  -13.343 31.502  1.00 13.76 ? 75  LYS A CB    1 
ATOM   616  C CG    . LYS A 1 75  ? 21.116  -13.820 32.926  1.00 19.76 ? 75  LYS A CG    1 
ATOM   617  C CD    . LYS A 1 75  ? 19.814  -13.815 33.697  1.00 14.06 ? 75  LYS A CD    1 
ATOM   618  C CE    . LYS A 1 75  ? 19.971  -14.563 35.006  1.00 28.44 ? 75  LYS A CE    1 
ATOM   619  N NZ    . LYS A 1 75  ? 18.651  -14.879 35.621  1.00 30.73 ? 75  LYS A NZ    1 
ATOM   620  N N     . ASN A 1 76  ? 22.509  -12.203 28.583  1.00 9.95  ? 76  ASN A N     1 
ATOM   621  C CA    . ASN A 1 76  ? 22.254  -11.649 27.252  1.00 9.49  ? 76  ASN A CA    1 
ATOM   622  C C     . ASN A 1 76  ? 20.769  -11.363 27.056  1.00 8.64  ? 76  ASN A C     1 
ATOM   623  O O     . ASN A 1 76  ? 20.141  -11.796 26.088  1.00 8.58  ? 76  ASN A O     1 
ATOM   624  C CB    . ASN A 1 76  ? 22.777  -12.594 26.169  1.00 14.62 ? 76  ASN A CB    1 
ATOM   625  C CG    . ASN A 1 76  ? 22.978  -11.901 24.829  1.00 11.39 ? 76  ASN A CG    1 
ATOM   626  O OD1   . ASN A 1 76  ? 23.044  -10.670 24.751  1.00 11.43 ? 76  ASN A OD1   1 
ATOM   627  N ND2   . ASN A 1 76  ? 23.051  -12.696 23.758  1.00 10.70 ? 76  ASN A ND2   1 
ATOM   628  N N     . THR A 1 77  ? 20.202  -10.613 27.997  1.00 12.46 ? 77  THR A N     1 
ATOM   629  C CA    . THR A 1 77  ? 18.774  -10.323 28.005  1.00 7.81  ? 77  THR A CA    1 
ATOM   630  C C     . THR A 1 77  ? 18.545  -8.848  28.291  1.00 6.79  ? 77  THR A C     1 
ATOM   631  O O     . THR A 1 77  ? 19.250  -8.248  29.112  1.00 7.13  ? 77  THR A O     1 
ATOM   632  C CB    . THR A 1 77  ? 18.039  -11.189 29.051  1.00 10.04 ? 77  THR A CB    1 
ATOM   633  O OG1   . THR A 1 77  ? 18.184  -12.580 28.716  1.00 10.90 ? 77  THR A OG1   1 
ATOM   634  C CG2   . THR A 1 77  ? 16.541  -10.819 29.100  1.00 7.78  ? 77  THR A CG2   1 
ATOM   635  N N     . VAL A 1 78  ? 17.565  -8.263  27.616  1.00 6.54  ? 78  VAL A N     1 
ATOM   636  C CA    . VAL A 1 78  ? 17.167  -6.881  27.850  1.00 7.04  ? 78  VAL A CA    1 
ATOM   637  C C     . VAL A 1 78  ? 15.756  -6.881  28.413  1.00 7.82  ? 78  VAL A C     1 
ATOM   638  O O     . VAL A 1 78  ? 14.925  -7.704  28.015  1.00 9.72  ? 78  VAL A O     1 
ATOM   639  C CB    . VAL A 1 78  ? 17.262  -6.037  26.565  1.00 6.10  ? 78  VAL A CB    1 
ATOM   640  C CG1   . VAL A 1 78  ? 16.562  -4.700  26.759  1.00 10.34 ? 78  VAL A CG1   1 
ATOM   641  C CG2   . VAL A 1 78  ? 18.732  -5.819  26.204  1.00 6.05  ? 78  VAL A CG2   1 
ATOM   642  N N     . TYR A 1 79  ? 15.500  -5.982  29.365  1.00 5.24  ? 79  TYR A N     1 
ATOM   643  C CA    . TYR A 1 79  ? 14.215  -5.891  30.047  1.00 5.04  ? 79  TYR A CA    1 
ATOM   644  C C     . TYR A 1 79  ? 13.574  -4.535  29.815  1.00 8.89  ? 79  TYR A C     1 
ATOM   645  O O     . TYR A 1 79  ? 14.238  -3.496  29.896  1.00 7.73  ? 79  TYR A O     1 
ATOM   646  C CB    . TYR A 1 79  ? 14.369  -6.105  31.548  1.00 5.37  ? 79  TYR A CB    1 
ATOM   647  C CG    . TYR A 1 79  ? 15.084  -7.402  31.888  1.00 8.75  ? 79  TYR A CG    1 
ATOM   648  C CD1   . TYR A 1 79  ? 14.400  -8.606  31.903  1.00 6.04  ? 79  TYR A CD1   1 
ATOM   649  C CD2   . TYR A 1 79  ? 16.451  -7.416  32.172  1.00 15.32 ? 79  TYR A CD2   1 
ATOM   650  C CE1   . TYR A 1 79  ? 15.049  -9.800  32.218  1.00 9.21  ? 79  TYR A CE1   1 
ATOM   651  C CE2   . TYR A 1 79  ? 17.106  -8.606  32.485  1.00 14.72 ? 79  TYR A CE2   1 
ATOM   652  C CZ    . TYR A 1 79  ? 16.394  -9.791  32.507  1.00 13.50 ? 79  TYR A CZ    1 
ATOM   653  O OH    . TYR A 1 79  ? 17.022  -10.982 32.810  1.00 11.95 ? 79  TYR A OH    1 
ATOM   654  N N     . LEU A 1 80  ? 12.278  -4.554  29.560  1.00 7.82  ? 80  LEU A N     1 
ATOM   655  C CA    . LEU A 1 80  ? 11.473  -3.343  29.449  1.00 8.73  ? 80  LEU A CA    1 
ATOM   656  C C     . LEU A 1 80  ? 10.523  -3.319  30.649  1.00 7.05  ? 80  LEU A C     1 
ATOM   657  O O     . LEU A 1 80  ? 9.555   -4.085  30.692  1.00 4.94  ? 80  LEU A O     1 
ATOM   658  C CB    . LEU A 1 80  ? 10.722  -3.322  28.115  1.00 4.17  ? 80  LEU A CB    1 
ATOM   659  C CG    . LEU A 1 80  ? 9.777   -2.134  27.929  1.00 14.47 ? 80  LEU A CG    1 
ATOM   660  C CD1   . LEU A 1 80  ? 10.571  -0.834  28.005  1.00 12.06 ? 80  LEU A CD1   1 
ATOM   661  C CD2   . LEU A 1 80  ? 9.032   -2.269  26.599  1.00 6.76  ? 80  LEU A CD2   1 
ATOM   662  N N     . GLN A 1 81  ? 10.840  -2.494  31.650  1.00 4.66  ? 81  GLN A N     1 
ATOM   663  C CA    . GLN A 1 81  ? 9.973   -2.339  32.815  1.00 8.32  ? 81  GLN A CA    1 
ATOM   664  C C     . GLN A 1 81  ? 8.870   -1.359  32.462  1.00 6.86  ? 81  GLN A C     1 
ATOM   665  O O     . GLN A 1 81  ? 9.156   -0.217  32.093  1.00 8.41  ? 81  GLN A O     1 
ATOM   666  C CB    . GLN A 1 81  ? 10.750  -1.828  34.027  1.00 10.75 ? 81  GLN A CB    1 
ATOM   667  C CG    . GLN A 1 81  ? 9.915   -1.806  35.309  1.00 6.12  ? 81  GLN A CG    1 
ATOM   668  C CD    . GLN A 1 81  ? 9.609   -3.216  35.777  1.00 7.23  ? 81  GLN A CD    1 
ATOM   669  O OE1   . GLN A 1 81  ? 10.515  -4.050  35.841  1.00 8.16  ? 81  GLN A OE1   1 
ATOM   670  N NE2   . GLN A 1 81  ? 8.333   -3.499  36.095  1.00 6.79  ? 81  GLN A NE2   1 
ATOM   671  N N     . MET A 1 82  ? 7.621   -1.792  32.569  1.00 4.93  ? 82  MET A N     1 
ATOM   672  C CA    . MET A 1 82  ? 6.477   -0.993  32.124  1.00 4.99  ? 82  MET A CA    1 
ATOM   673  C C     . MET A 1 82  ? 5.612   -0.661  33.334  1.00 5.47  ? 82  MET A C     1 
ATOM   674  O O     . MET A 1 82  ? 4.789   -1.485  33.755  1.00 8.03  ? 82  MET A O     1 
ATOM   675  C CB    . MET A 1 82  ? 5.680   -1.743  31.061  1.00 7.27  ? 82  MET A CB    1 
ATOM   676  C CG    . MET A 1 82  ? 6.485   -2.046  29.787  1.00 9.13  ? 82  MET A CG    1 
ATOM   677  S SD    . MET A 1 82  ? 5.772   -3.305  28.686  1.00 12.58 ? 82  MET A SD    1 
ATOM   678  C CE    . MET A 1 82  ? 4.175   -2.599  28.318  1.00 8.39  ? 82  MET A CE    1 
ATOM   679  N N     . ASN A 1 83  ? 5.763   0.551   33.870  1.00 5.79  ? 83  ASN A N     1 
ATOM   680  C CA    . ASN A 1 83  ? 5.041   0.976   35.067  1.00 9.88  ? 83  ASN A CA    1 
ATOM   681  C C     . ASN A 1 83  ? 3.852   1.863   34.709  1.00 9.84  ? 83  ASN A C     1 
ATOM   682  O O     . ASN A 1 83  ? 3.753   2.399   33.599  1.00 8.07  ? 83  ASN A O     1 
ATOM   683  C CB    . ASN A 1 83  ? 5.947   1.764   36.033  1.00 11.05 ? 83  ASN A CB    1 
ATOM   684  C CG    . ASN A 1 83  ? 7.063   0.921   36.624  1.00 19.29 ? 83  ASN A CG    1 
ATOM   685  O OD1   . ASN A 1 83  ? 6.959   -0.297  36.698  1.00 13.29 ? 83  ASN A OD1   1 
ATOM   686  N ND2   . ASN A 1 83  ? 8.150   1.575   37.033  1.00 23.59 ? 83  ASN A ND2   1 
ATOM   687  N N     . SER A 1 84  ? 2.946   2.015   35.685  1.00 7.35  ? 84  SER A N     1 
ATOM   688  C CA    . SER A 1 84  ? 1.793   2.912   35.569  1.00 12.31 ? 84  SER A CA    1 
ATOM   689  C C     . SER A 1 84  ? 1.044   2.676   34.265  1.00 8.19  ? 84  SER A C     1 
ATOM   690  O O     . SER A 1 84  ? 0.783   3.605   33.502  1.00 7.71  ? 84  SER A O     1 
ATOM   691  C CB    . SER A 1 84  ? 2.218   4.379   35.666  1.00 18.71 ? 84  SER A CB    1 
ATOM   692  O OG    . SER A 1 84  ? 2.880   4.640   36.882  1.00 25.09 ? 84  SER A OG    1 
ATOM   693  N N     . LEU A 1 85  ? 0.700   1.417   34.006  1.00 8.47  ? 85  LEU A N     1 
ATOM   694  C CA    . LEU A 1 85  ? 0.131   1.070   32.709  1.00 9.98  ? 85  LEU A CA    1 
ATOM   695  C C     . LEU A 1 85  ? -1.244  1.700   32.522  1.00 10.98 ? 85  LEU A C     1 
ATOM   696  O O     . LEU A 1 85  ? -1.984  1.918   33.485  1.00 9.75  ? 85  LEU A O     1 
ATOM   697  C CB    . LEU A 1 85  ? 0.045   -0.448  32.557  1.00 6.65  ? 85  LEU A CB    1 
ATOM   698  C CG    . LEU A 1 85  ? 1.425   -1.076  32.325  1.00 7.56  ? 85  LEU A CG    1 
ATOM   699  C CD1   . LEU A 1 85  ? 1.361   -2.559  32.520  1.00 11.99 ? 85  LEU A CD1   1 
ATOM   700  C CD2   . LEU A 1 85  ? 1.928   -0.764  30.915  1.00 11.71 ? 85  LEU A CD2   1 
ATOM   701  N N     . LYS A 1 86  ? -1.572  2.008   31.255  1.00 7.51  ? 86  LYS A N     1 
ATOM   702  C CA    . LYS A 1 86  ? -2.829  2.613   30.811  1.00 8.16  ? 86  LYS A CA    1 
ATOM   703  C C     . LYS A 1 86  ? -3.482  1.722   29.761  1.00 8.03  ? 86  LYS A C     1 
ATOM   704  O O     . LYS A 1 86  ? -2.776  1.041   29.021  1.00 7.43  ? 86  LYS A O     1 
ATOM   705  C CB    . LYS A 1 86  ? -2.604  3.991   30.164  1.00 12.61 ? 86  LYS A CB    1 
ATOM   706  C CG    . LYS A 1 86  ? -1.771  4.989   30.926  1.00 23.59 ? 86  LYS A CG    1 
ATOM   707  C CD    . LYS A 1 86  ? -1.466  6.186   30.028  1.00 25.54 ? 86  LYS A CD    1 
ATOM   708  C CE    . LYS A 1 86  ? -0.208  6.922   30.483  1.00 29.01 ? 86  LYS A CE    1 
ATOM   709  N NZ    . LYS A 1 86  ? -0.471  8.026   31.439  1.00 22.92 ? 86  LYS A NZ    1 
ATOM   710  N N     . PRO A 1 87  ? -4.808  1.757   29.614  1.00 8.69  ? 87  PRO A N     1 
ATOM   711  C CA    . PRO A 1 87  ? -5.428  0.983   28.520  1.00 9.82  ? 87  PRO A CA    1 
ATOM   712  C C     . PRO A 1 87  ? -4.861  1.327   27.158  1.00 8.40  ? 87  PRO A C     1 
ATOM   713  O O     . PRO A 1 87  ? -4.832  0.476   26.260  1.00 9.12  ? 87  PRO A O     1 
ATOM   714  C CB    . PRO A 1 87  ? -6.910  1.359   28.632  1.00 13.50 ? 87  PRO A CB    1 
ATOM   715  C CG    . PRO A 1 87  ? -7.079  1.740   30.082  1.00 18.47 ? 87  PRO A CG    1 
ATOM   716  C CD    . PRO A 1 87  ? -5.816  2.420   30.465  1.00 9.58  ? 87  PRO A CD    1 
ATOM   717  N N     . GLU A 1 88  ? -4.389  2.560   26.980  1.00 9.11  ? 88  GLU A N     1 
ATOM   718  C CA    . GLU A 1 88  ? -3.719  2.942   25.745  1.00 15.55 ? 88  GLU A CA    1 
ATOM   719  C C     . GLU A 1 88  ? -2.409  2.185   25.526  1.00 14.93 ? 88  GLU A C     1 
ATOM   720  O O     . GLU A 1 88  ? -1.875  2.221   24.412  1.00 9.29  ? 88  GLU A O     1 
ATOM   721  C CB    . GLU A 1 88  ? -3.497  4.464   25.757  1.00 11.14 ? 88  GLU A CB    1 
ATOM   722  C CG    . GLU A 1 88  ? -4.816  5.297   25.653  1.00 18.97 ? 88  GLU A CG    1 
ATOM   723  C CD    . GLU A 1 88  ? -5.665  5.382   26.956  1.00 28.54 ? 88  GLU A CD    1 
ATOM   724  O OE1   . GLU A 1 88  ? -5.172  5.083   28.070  1.00 16.23 ? 88  GLU A OE1   1 
ATOM   725  O OE2   . GLU A 1 88  ? -6.852  5.778   26.862  1.00 31.01 ? 88  GLU A OE2   1 
ATOM   726  N N     . ASP A 1 89  ? -1.896  1.471   26.533  1.00 7.03  ? 89  ASP A N     1 
ATOM   727  C CA    . ASP A 1 89  ? -0.693  0.662   26.362  1.00 8.93  ? 89  ASP A CA    1 
ATOM   728  C C     . ASP A 1 89  ? -0.971  -0.743  25.824  1.00 9.06  ? 89  ASP A C     1 
ATOM   729  O O     . ASP A 1 89  ? -0.019  -1.485  25.553  1.00 10.34 ? 89  ASP A O     1 
ATOM   730  C CB    . ASP A 1 89  ? 0.084   0.575   27.693  1.00 6.08  ? 89  ASP A CB    1 
ATOM   731  C CG    . ASP A 1 89  ? 0.633   1.933   28.133  1.00 9.52  ? 89  ASP A CG    1 
ATOM   732  O OD1   . ASP A 1 89  ? 1.142   2.681   27.270  1.00 8.65  ? 89  ASP A OD1   1 
ATOM   733  O OD2   . ASP A 1 89  ? 0.554   2.256   29.335  1.00 9.12  ? 89  ASP A OD2   1 
ATOM   734  N N     . THR A 1 90  ? -2.235  -1.123  25.647  1.00 6.67  ? 90  THR A N     1 
ATOM   735  C CA    . THR A 1 90  ? -2.546  -2.442  25.109  1.00 6.67  ? 90  THR A CA    1 
ATOM   736  C C     . THR A 1 90  ? -2.003  -2.581  23.694  1.00 6.59  ? 90  THR A C     1 
ATOM   737  O O     . THR A 1 90  ? -2.304  -1.766  22.816  1.00 6.93  ? 90  THR A O     1 
ATOM   738  C CB    . THR A 1 90  ? -4.063  -2.669  25.138  1.00 7.33  ? 90  THR A CB    1 
ATOM   739  O OG1   . THR A 1 90  ? -4.501  -2.701  26.502  1.00 7.49  ? 90  THR A OG1   1 
ATOM   740  C CG2   . THR A 1 90  ? -4.445  -4.006  24.477  1.00 7.49  ? 90  THR A CG2   1 
ATOM   741  N N     . ALA A 1 91  ? -1.187  -3.605  23.467  1.00 6.77  ? 91  ALA A N     1 
ATOM   742  C CA    . ALA A 1 91  ? -0.569  -3.760  22.160  1.00 6.84  ? 91  ALA A CA    1 
ATOM   743  C C     . ALA A 1 91  ? 0.243   -5.052  22.149  1.00 8.23  ? 91  ALA A C     1 
ATOM   744  O O     . ALA A 1 91  ? 0.490   -5.668  23.189  1.00 5.80  ? 91  ALA A O     1 
ATOM   745  C CB    . ALA A 1 91  ? 0.328   -2.567  21.816  1.00 6.57  ? 91  ALA A CB    1 
ATOM   746  N N     . VAL A 1 92  ? 0.661   -5.449  20.961  1.00 8.91  ? 92  VAL A N     1 
ATOM   747  C CA    . VAL A 1 92  ? 1.730   -6.435  20.826  1.00 7.78  ? 92  VAL A CA    1 
ATOM   748  C C     . VAL A 1 92  ? 3.070   -5.712  20.876  1.00 8.08  ? 92  VAL A C     1 
ATOM   749  O O     . VAL A 1 92  ? 3.305   -4.768  20.111  1.00 7.45  ? 92  VAL A O     1 
ATOM   750  C CB    . VAL A 1 92  ? 1.592   -7.236  19.524  1.00 9.92  ? 92  VAL A CB    1 
ATOM   751  C CG1   . VAL A 1 92  ? 2.743   -8.238  19.413  1.00 9.36  ? 92  VAL A CG1   1 
ATOM   752  C CG2   . VAL A 1 92  ? 0.244   -7.946  19.483  1.00 11.87 ? 92  VAL A CG2   1 
ATOM   753  N N     . TYR A 1 93  ? 3.951   -6.157  21.769  1.00 5.33  ? 93  TYR A N     1 
ATOM   754  C CA    . TYR A 1 93  ? 5.266   -5.557  21.953  1.00 6.44  ? 93  TYR A CA    1 
ATOM   755  C C     . TYR A 1 93  ? 6.307   -6.438  21.267  1.00 5.81  ? 93  TYR A C     1 
ATOM   756  O O     . TYR A 1 93  ? 6.299   -7.661  21.447  1.00 6.57  ? 93  TYR A O     1 
ATOM   757  C CB    . TYR A 1 93  ? 5.575   -5.390  23.442  1.00 5.92  ? 93  TYR A CB    1 
ATOM   758  C CG    . TYR A 1 93  ? 4.799   -4.244  24.029  1.00 8.99  ? 93  TYR A CG    1 
ATOM   759  C CD1   . TYR A 1 93  ? 3.438   -4.374  24.306  1.00 6.73  ? 93  TYR A CD1   1 
ATOM   760  C CD2   . TYR A 1 93  ? 5.411   -3.008  24.271  1.00 8.38  ? 93  TYR A CD2   1 
ATOM   761  C CE1   . TYR A 1 93  ? 2.716   -3.316  24.818  1.00 4.94  ? 93  TYR A CE1   1 
ATOM   762  C CE2   . TYR A 1 93  ? 4.695   -1.942  24.798  1.00 6.97  ? 93  TYR A CE2   1 
ATOM   763  C CZ    . TYR A 1 93  ? 3.346   -2.101  25.056  1.00 4.83  ? 93  TYR A CZ    1 
ATOM   764  O OH    . TYR A 1 93  ? 2.625   -1.035  25.554  1.00 5.07  ? 93  TYR A OH    1 
ATOM   765  N N     . TYR A 1 94  ? 7.182   -5.812  20.475  1.00 5.27  ? 94  TYR A N     1 
ATOM   766  C CA    . TYR A 1 94  ? 8.252   -6.489  19.754  1.00 7.27  ? 94  TYR A CA    1 
ATOM   767  C C     . TYR A 1 94  ? 9.596   -5.956  20.218  1.00 7.64  ? 94  TYR A C     1 
ATOM   768  O O     . TYR A 1 94  ? 9.725   -4.782  20.549  1.00 7.84  ? 94  TYR A O     1 
ATOM   769  C CB    . TYR A 1 94  ? 8.165   -6.263  18.239  1.00 6.06  ? 94  TYR A CB    1 
ATOM   770  C CG    . TYR A 1 94  ? 6.917   -6.783  17.568  1.00 7.64  ? 94  TYR A CG    1 
ATOM   771  C CD1   . TYR A 1 94  ? 6.849   -8.090  17.123  1.00 7.68  ? 94  TYR A CD1   1 
ATOM   772  C CD2   . TYR A 1 94  ? 5.816   -5.959  17.362  1.00 10.42 ? 94  TYR A CD2   1 
ATOM   773  C CE1   . TYR A 1 94  ? 5.711   -8.581  16.509  1.00 10.00 ? 94  TYR A CE1   1 
ATOM   774  C CE2   . TYR A 1 94  ? 4.668   -6.441  16.725  1.00 9.58  ? 94  TYR A CE2   1 
ATOM   775  C CZ    . TYR A 1 94  ? 4.629   -7.755  16.311  1.00 10.92 ? 94  TYR A CZ    1 
ATOM   776  O OH    . TYR A 1 94  ? 3.517   -8.267  15.687  1.00 9.69  ? 94  TYR A OH    1 
ATOM   777  N N     . CYS A 1 95  ? 10.601  -6.822  20.225  1.00 7.67  ? 95  CYS A N     1 
ATOM   778  C CA    . CYS A 1 95  ? 11.975  -6.374  20.348  1.00 8.88  ? 95  CYS A CA    1 
ATOM   779  C C     . CYS A 1 95  ? 12.731  -6.843  19.124  1.00 9.85  ? 95  CYS A C     1 
ATOM   780  O O     . CYS A 1 95  ? 12.358  -7.835  18.482  1.00 10.44 ? 95  CYS A O     1 
ATOM   781  C CB    . CYS A 1 95  ? 12.647  -6.903  21.612  1.00 14.41 ? 95  CYS A CB    1 
ATOM   782  S SG    . CYS A 1 95  ? 12.707  -8.691  21.676  1.00 15.60 ? 95  CYS A SG    1 
ATOM   783  N N     . ASN A 1 96  ? 13.774  -6.102  18.781  1.00 6.95  ? 96  ASN A N     1 
ATOM   784  C CA    . ASN A 1 96  ? 14.663  -6.531  17.715  1.00 6.98  ? 96  ASN A CA    1 
ATOM   785  C C     . ASN A 1 96  ? 16.093  -6.145  18.067  1.00 7.73  ? 96  ASN A C     1 
ATOM   786  O O     . ASN A 1 96  ? 16.352  -5.387  19.013  1.00 9.28  ? 96  ASN A O     1 
ATOM   787  C CB    . ASN A 1 96  ? 14.221  -5.972  16.341  1.00 7.41  ? 96  ASN A CB    1 
ATOM   788  C CG    . ASN A 1 96  ? 14.598  -4.508  16.122  1.00 13.82 ? 96  ASN A CG    1 
ATOM   789  O OD1   . ASN A 1 96  ? 15.465  -3.948  16.800  1.00 14.06 ? 96  ASN A OD1   1 
ATOM   790  N ND2   . ASN A 1 96  ? 13.961  -3.891  15.131  1.00 13.37 ? 96  ASN A ND2   1 
ATOM   791  N N     . LEU A 1 97  ? 17.026  -6.742  17.331  1.00 8.18  ? 97  LEU A N     1 
ATOM   792  C CA    . LEU A 1 97  ? 18.454  -6.547  17.537  1.00 11.64 ? 97  LEU A CA    1 
ATOM   793  C C     . LEU A 1 97  ? 19.115  -6.458  16.171  1.00 14.71 ? 97  LEU A C     1 
ATOM   794  O O     . LEU A 1 97  ? 18.850  -7.291  15.297  1.00 14.35 ? 97  LEU A O     1 
ATOM   795  C CB    . LEU A 1 97  ? 19.074  -7.671  18.380  1.00 13.70 ? 97  LEU A CB    1 
ATOM   796  C CG    . LEU A 1 97  ? 20.597  -7.648  18.530  1.00 14.00 ? 97  LEU A CG    1 
ATOM   797  C CD1   . LEU A 1 97  ? 21.026  -6.352  19.208  1.00 11.39 ? 97  LEU A CD1   1 
ATOM   798  C CD2   . LEU A 1 97  ? 21.041  -8.828  19.387  1.00 15.41 ? 97  LEU A CD2   1 
ATOM   799  N N     . ARG A 1 98  ? 19.970  -5.469  16.003  1.00 12.97 ? 98  ARG A N     1 
ATOM   800  C CA    . ARG A 1 98  ? 20.717  -5.405  14.733  1.00 19.09 ? 98  ARG A CA    1 
ATOM   801  C C     . ARG A 1 98  ? 21.953  -6.282  14.865  1.00 24.80 ? 98  ARG A C     1 
ATOM   802  O O     . ARG A 1 98  ? 22.529  -6.392  15.929  1.00 28.02 ? 98  ARG A O     1 
ATOM   803  C CB    . ARG A 1 98  ? 21.238  -4.009  14.466  1.00 21.36 ? 98  ARG A CB    1 
ATOM   804  C CG    . ARG A 1 98  ? 20.165  -3.017  14.070  1.00 25.18 ? 98  ARG A CG    1 
ATOM   805  C CD    . ARG A 1 98  ? 20.986  -1.983  13.351  1.00 37.33 ? 98  ARG A CD    1 
ATOM   806  N NE    . ARG A 1 98  ? 20.230  -0.816  13.003  1.00 46.17 ? 98  ARG A NE    1 
ATOM   807  C CZ    . ARG A 1 98  ? 19.520  -0.724  11.908  1.00 50.75 ? 98  ARG A CZ    1 
ATOM   808  N NH1   . ARG A 1 98  ? 18.874  0.391   11.654  1.00 59.65 ? 98  ARG A NH1   1 
ATOM   809  N NH2   . ARG A 1 98  ? 19.488  -1.721  11.055  1.00 45.79 ? 98  ARG A NH2   1 
ATOM   810  N N     . ARG A 1 99  ? 22.337  -6.884  13.769  1.00 24.49 ? 99  ARG A N     1 
ATOM   811  C CA    . ARG A 1 99  ? 23.579  -7.648  13.705  1.00 23.55 ? 99  ARG A CA    1 
ATOM   812  C C     . ARG A 1 99  ? 24.071  -7.548  12.270  1.00 24.07 ? 99  ARG A C     1 
ATOM   813  O O     . ARG A 1 99  ? 23.421  -8.061  11.351  1.00 20.09 ? 99  ARG A O     1 
ATOM   814  C CB    . ARG A 1 99  ? 23.388  -9.102  14.131  1.00 26.10 ? 99  ARG A CB    1 
ATOM   815  C CG    . ARG A 1 99  ? 24.696  -9.875  14.102  1.00 30.99 ? 99  ARG A CG    1 
ATOM   816  C CD    . ARG A 1 99  ? 24.539  -11.339 14.431  1.00 36.78 ? 99  ARG A CD    1 
ATOM   817  N NE    . ARG A 1 99  ? 25.761  -12.076 14.111  1.00 47.87 ? 99  ARG A NE    1 
ATOM   818  C CZ    . ARG A 1 99  ? 26.846  -12.114 14.884  1.00 47.29 ? 99  ARG A CZ    1 
ATOM   819  N NH1   . ARG A 1 99  ? 26.875  -11.458 16.039  1.00 40.65 ? 99  ARG A NH1   1 
ATOM   820  N NH2   . ARG A 1 99  ? 27.910  -12.809 14.501  1.00 48.52 ? 99  ARG A NH2   1 
ATOM   821  N N     . GLY A 1 100 ? 25.217  -6.900  12.085  1.00 29.91 ? 100 GLY A N     1 
ATOM   822  C CA    . GLY A 1 100 ? 25.704  -6.686  10.737  1.00 29.69 ? 100 GLY A CA    1 
ATOM   823  C C     . GLY A 1 100 ? 24.645  -5.982  9.916   1.00 28.95 ? 100 GLY A C     1 
ATOM   824  O O     . GLY A 1 100 ? 24.014  -5.020  10.370  1.00 35.07 ? 100 GLY A O     1 
ATOM   825  N N     . GLY A 1 101 ? 24.430  -6.472  8.697   1.00 22.87 ? 101 GLY A N     1 
ATOM   826  C CA    . GLY A 1 101 ? 23.420  -5.924  7.814   1.00 28.04 ? 101 GLY A CA    1 
ATOM   827  C C     . GLY A 1 101 ? 22.018  -6.459  8.007   1.00 28.46 ? 101 GLY A C     1 
ATOM   828  O O     . GLY A 1 101 ? 21.129  -6.167  7.202   1.00 32.76 ? 101 GLY A O     1 
ATOM   829  N N     . GLY A 1 102 ? 21.784  -7.233  9.061   1.00 21.02 ? 102 GLY A N     1 
ATOM   830  C CA    . GLY A 1 102 ? 20.463  -7.773  9.314   1.00 20.80 ? 102 GLY A CA    1 
ATOM   831  C C     . GLY A 1 102 ? 19.816  -7.252  10.582  1.00 18.34 ? 102 GLY A C     1 
ATOM   832  O O     . GLY A 1 102 ? 20.484  -6.688  11.456  1.00 17.75 ? 102 GLY A O     1 
ATOM   833  N N     . ILE A 1 103 ? 18.507  -7.451  10.699  1.00 12.41 ? 103 ILE A N     1 
ATOM   834  C CA    . ILE A 1 103 ? 17.754  -7.111  11.900  1.00 11.20 ? 103 ILE A CA    1 
ATOM   835  C C     . ILE A 1 103 ? 16.977  -8.353  12.312  1.00 11.84 ? 103 ILE A C     1 
ATOM   836  O O     . ILE A 1 103 ? 16.307  -8.974  11.478  1.00 13.77 ? 103 ILE A O     1 
ATOM   837  C CB    . ILE A 1 103 ? 16.794  -5.924  11.682  1.00 21.03 ? 103 ILE A CB    1 
ATOM   838  C CG1   . ILE A 1 103 ? 17.557  -4.652  11.313  1.00 22.53 ? 103 ILE A CG1   1 
ATOM   839  C CG2   . ILE A 1 103 ? 15.953  -5.678  12.936  1.00 19.17 ? 103 ILE A CG2   1 
ATOM   840  C CD1   . ILE A 1 103 ? 16.673  -3.403  11.275  1.00 26.43 ? 103 ILE A CD1   1 
ATOM   841  N N     . TYR A 1 104 ? 17.089  -8.734  13.579  1.00 11.55 ? 104 TYR A N     1 
ATOM   842  C CA    . TYR A 1 104 ? 16.442  -9.939  14.087  1.00 13.75 ? 104 TYR A CA    1 
ATOM   843  C C     . TYR A 1 104 ? 15.390  -9.577  15.124  1.00 13.62 ? 104 TYR A C     1 
ATOM   844  O O     . TYR A 1 104 ? 15.613  -8.730  15.992  1.00 13.63 ? 104 TYR A O     1 
ATOM   845  C CB    . TYR A 1 104 ? 17.480  -10.904 14.656  1.00 12.84 ? 104 TYR A CB    1 
ATOM   846  C CG    . TYR A 1 104 ? 18.496  -11.246 13.614  1.00 21.20 ? 104 TYR A CG    1 
ATOM   847  C CD1   . TYR A 1 104 ? 18.254  -12.278 12.713  1.00 19.72 ? 104 TYR A CD1   1 
ATOM   848  C CD2   . TYR A 1 104 ? 19.658  -10.492 13.458  1.00 20.43 ? 104 TYR A CD2   1 
ATOM   849  C CE1   . TYR A 1 104 ? 19.163  -12.590 11.715  1.00 21.46 ? 104 TYR A CE1   1 
ATOM   850  C CE2   . TYR A 1 104 ? 20.571  -10.799 12.459  1.00 26.52 ? 104 TYR A CE2   1 
ATOM   851  C CZ    . TYR A 1 104 ? 20.316  -11.853 11.595  1.00 25.31 ? 104 TYR A CZ    1 
ATOM   852  O OH    . TYR A 1 104 ? 21.216  -12.165 10.597  1.00 31.12 ? 104 TYR A OH    1 
ATOM   853  N N     . TRP A 1 105 ? 14.248  -10.252 15.023  1.00 11.32 ? 105 TRP A N     1 
ATOM   854  C CA    . TRP A 1 105 ? 13.023  -9.877  15.708  1.00 8.50  ? 105 TRP A CA    1 
ATOM   855  C C     . TRP A 1 105 ? 12.575  -10.985 16.645  1.00 8.36  ? 105 TRP A C     1 
ATOM   856  O O     . TRP A 1 105 ? 12.654  -12.172 16.297  1.00 9.04  ? 105 TRP A O     1 
ATOM   857  C CB    . TRP A 1 105 ? 11.900  -9.615  14.680  1.00 8.78  ? 105 TRP A CB    1 
ATOM   858  C CG    . TRP A 1 105 ? 12.101  -8.370  13.895  1.00 8.90  ? 105 TRP A CG    1 
ATOM   859  C CD1   . TRP A 1 105 ? 12.985  -8.183  12.868  1.00 12.27 ? 105 TRP A CD1   1 
ATOM   860  C CD2   . TRP A 1 105 ? 11.413  -7.135  14.068  1.00 8.42  ? 105 TRP A CD2   1 
ATOM   861  N NE1   . TRP A 1 105 ? 12.894  -6.899  12.400  1.00 10.31 ? 105 TRP A NE1   1 
ATOM   862  C CE2   . TRP A 1 105 ? 11.939  -6.230  13.123  1.00 10.16 ? 105 TRP A CE2   1 
ATOM   863  C CE3   . TRP A 1 105 ? 10.419  -6.693  14.951  1.00 9.75  ? 105 TRP A CE3   1 
ATOM   864  C CZ2   . TRP A 1 105 ? 11.483  -4.910  13.012  1.00 10.88 ? 105 TRP A CZ2   1 
ATOM   865  C CZ3   . TRP A 1 105 ? 9.972   -5.371  14.846  1.00 13.14 ? 105 TRP A CZ3   1 
ATOM   866  C CH2   . TRP A 1 105 ? 10.509  -4.499  13.887  1.00 12.04 ? 105 TRP A CH2   1 
ATOM   867  N N     . GLY A 1 106 ? 12.099  -10.594 17.818  1.00 7.62  ? 106 GLY A N     1 
ATOM   868  C CA    . GLY A 1 106 ? 11.368  -11.513 18.663  1.00 7.54  ? 106 GLY A CA    1 
ATOM   869  C C     . GLY A 1 106 ? 9.995   -11.783 18.083  1.00 8.06  ? 106 GLY A C     1 
ATOM   870  O O     . GLY A 1 106 ? 9.568   -11.171 17.104  1.00 9.71  ? 106 GLY A O     1 
ATOM   871  N N     . GLN A 1 107 ? 9.304   -12.754 18.680  1.00 8.79  ? 107 GLN A N     1 
ATOM   872  C CA    . GLN A 1 107 ? 8.028   -13.215 18.146  1.00 10.29 ? 107 GLN A CA    1 
ATOM   873  C C     . GLN A 1 107 ? 6.865   -12.288 18.495  1.00 12.83 ? 107 GLN A C     1 
ATOM   874  O O     . GLN A 1 107 ? 5.773   -12.449 17.932  1.00 12.88 ? 107 GLN A O     1 
ATOM   875  C CB    . GLN A 1 107 ? 7.733   -14.620 18.663  1.00 8.73  ? 107 GLN A CB    1 
ATOM   876  C CG    . GLN A 1 107 ? 7.140   -14.638 20.064  1.00 11.14 ? 107 GLN A CG    1 
ATOM   877  C CD    . GLN A 1 107 ? 8.146   -14.534 21.204  1.00 16.04 ? 107 GLN A CD    1 
ATOM   878  O OE1   . GLN A 1 107 ? 9.345   -14.274 21.010  1.00 12.01 ? 107 GLN A OE1   1 
ATOM   879  N NE2   . GLN A 1 107 ? 7.644   -14.728 22.422  1.00 20.16 ? 107 GLN A NE2   1 
ATOM   880  N N     . GLY A 1 108 ? 7.072   -11.316 19.378  1.00 6.98  ? 108 GLY A N     1 
ATOM   881  C CA    . GLY A 1 108 ? 5.987   -10.448 19.810  1.00 7.09  ? 108 GLY A CA    1 
ATOM   882  C C     . GLY A 1 108 ? 5.248   -11.006 21.010  1.00 8.98  ? 108 GLY A C     1 
ATOM   883  O O     . GLY A 1 108 ? 5.122   -12.226 21.146  1.00 11.12 ? 108 GLY A O     1 
ATOM   884  N N     . THR A 1 109 ? 4.792   -10.144 21.913  1.00 6.02  ? 109 THR A N     1 
ATOM   885  C CA    . THR A 1 109 ? 4.060   -10.612 23.081  1.00 9.14  ? 109 THR A CA    1 
ATOM   886  C C     . THR A 1 109 ? 2.968   -9.599  23.387  1.00 9.79  ? 109 THR A C     1 
ATOM   887  O O     . THR A 1 109 ? 3.192   -8.387  23.302  1.00 6.95  ? 109 THR A O     1 
ATOM   888  C CB    . THR A 1 109 ? 5.000   -10.850 24.292  1.00 12.51 ? 109 THR A CB    1 
ATOM   889  O OG1   . THR A 1 109 ? 4.285   -11.518 25.342  1.00 16.59 ? 109 THR A OG1   1 
ATOM   890  C CG2   . THR A 1 109 ? 5.579   -9.548  24.815  1.00 10.12 ? 109 THR A CG2   1 
ATOM   891  N N     . GLN A 1 110 ? 1.770   -10.107 23.672  1.00 6.69  ? 110 GLN A N     1 
ATOM   892  C CA    . GLN A 1 110 ? 0.602   -9.254  23.874  1.00 9.96  ? 110 GLN A CA    1 
ATOM   893  C C     . GLN A 1 110 ? 0.544   -8.758  25.312  1.00 6.39  ? 110 GLN A C     1 
ATOM   894  O O     . GLN A 1 110 ? 0.635   -9.551  26.255  1.00 6.45  ? 110 GLN A O     1 
ATOM   895  C CB    . GLN A 1 110 ? -0.689  -10.008 23.545  1.00 10.64 ? 110 GLN A CB    1 
ATOM   896  C CG    . GLN A 1 110 ? -1.964  -9.251  23.941  1.00 8.16  ? 110 GLN A CG    1 
ATOM   897  C CD    . GLN A 1 110 ? -2.294  -8.151  22.969  1.00 12.23 ? 110 GLN A CD    1 
ATOM   898  O OE1   . GLN A 1 110 ? -2.078  -8.292  21.764  1.00 14.94 ? 110 GLN A OE1   1 
ATOM   899  N NE2   . GLN A 1 110 ? -2.801  -7.031  23.483  1.00 11.38 ? 110 GLN A NE2   1 
ATOM   900  N N     . VAL A 1 111 ? 0.388   -7.449  25.473  1.00 5.78  ? 111 VAL A N     1 
ATOM   901  C CA    . VAL A 1 111 ? 0.093   -6.829  26.761  1.00 5.74  ? 111 VAL A CA    1 
ATOM   902  C C     . VAL A 1 111 ? -1.289  -6.197  26.659  1.00 6.13  ? 111 VAL A C     1 
ATOM   903  O O     . VAL A 1 111 ? -1.542  -5.392  25.758  1.00 8.71  ? 111 VAL A O     1 
ATOM   904  C CB    . VAL A 1 111 ? 1.143   -5.767  27.150  1.00 6.71  ? 111 VAL A CB    1 
ATOM   905  C CG1   . VAL A 1 111 ? 0.664   -4.996  28.343  1.00 5.47  ? 111 VAL A CG1   1 
ATOM   906  C CG2   . VAL A 1 111 ? 2.491   -6.422  27.478  1.00 5.08  ? 111 VAL A CG2   1 
ATOM   907  N N     . THR A 1 112 ? -2.178  -6.570  27.571  1.00 6.51  ? 112 THR A N     1 
ATOM   908  C CA    . THR A 1 112 ? -3.536  -6.046  27.622  1.00 7.03  ? 112 THR A CA    1 
ATOM   909  C C     . THR A 1 112 ? -3.744  -5.401  28.983  1.00 8.81  ? 112 THR A C     1 
ATOM   910  O O     . THR A 1 112 ? -3.587  -6.060  30.017  1.00 10.21 ? 112 THR A O     1 
ATOM   911  C CB    . THR A 1 112 ? -4.560  -7.154  27.368  1.00 7.58  ? 112 THR A CB    1 
ATOM   912  O OG1   . THR A 1 112 ? -4.340  -7.699  26.062  1.00 9.64  ? 112 THR A OG1   1 
ATOM   913  C CG2   . THR A 1 112 ? -6.006  -6.617  27.452  1.00 9.60  ? 112 THR A CG2   1 
ATOM   914  N N     . VAL A 1 113 ? -4.112  -4.122  28.978  1.00 7.82  ? 113 VAL A N     1 
ATOM   915  C CA    . VAL A 1 113 ? -4.332  -3.336  30.186  1.00 8.19  ? 113 VAL A CA    1 
ATOM   916  C C     . VAL A 1 113 ? -5.825  -3.044  30.315  1.00 11.00 ? 113 VAL A C     1 
ATOM   917  O O     . VAL A 1 113 ? -6.408  -2.349  29.467  1.00 8.70  ? 113 VAL A O     1 
ATOM   918  C CB    . VAL A 1 113 ? -3.512  -2.035  30.150  1.00 7.36  ? 113 VAL A CB    1 
ATOM   919  C CG1   . VAL A 1 113 ? -3.646  -1.268  31.469  1.00 7.77  ? 113 VAL A CG1   1 
ATOM   920  C CG2   . VAL A 1 113 ? -2.032  -2.346  29.848  1.00 6.64  ? 113 VAL A CG2   1 
ATOM   921  N N     . SER A 1 114 ? -6.441  -3.556  31.380  1.00 8.94  ? 114 SER A N     1 
ATOM   922  C CA    . SER A 1 114 ? -7.871  -3.369  31.584  1.00 9.84  ? 114 SER A CA    1 
ATOM   923  C C     . SER A 1 114 ? -8.140  -1.966  32.104  1.00 14.32 ? 114 SER A C     1 
ATOM   924  O O     . SER A 1 114 ? -7.341  -1.394  32.849  1.00 13.78 ? 114 SER A O     1 
ATOM   925  C CB    . SER A 1 114 ? -8.426  -4.376  32.601  1.00 22.50 ? 114 SER A CB    1 
ATOM   926  O OG    . SER A 1 114 ? -8.459  -5.697  32.098  1.00 21.28 ? 114 SER A OG    1 
ATOM   927  N N     . SER A 1 115 ? -9.283  -1.419  31.711  1.00 11.01 ? 115 SER A N     1 
ATOM   928  C CA    . SER A 1 115 ? -9.708  -0.113  32.192  1.00 19.83 ? 115 SER A CA    1 
ATOM   929  C C     . SER A 1 115 ? -10.030 -0.165  33.681  1.00 26.26 ? 115 SER A C     1 
ATOM   930  O O     . SER A 1 115 ? -10.473 -1.190  34.209  1.00 20.78 ? 115 SER A O     1 
ATOM   931  C CB    . SER A 1 115 ? -10.942 0.354   31.420  1.00 22.54 ? 115 SER A CB    1 
ATOM   932  O OG    . SER A 1 115 ? -10.638 0.486   30.050  1.00 26.96 ? 115 SER A OG    1 
ATOM   933  N N     . HIS A 1 116 ? -9.824  0.964   34.356  1.00 24.09 ? 116 HIS A N     1 
ATOM   934  C CA    . HIS A 1 116 ? -10.126 1.067   35.786  1.00 33.15 ? 116 HIS A CA    1 
ATOM   935  C C     . HIS A 1 116 ? -11.637 1.012   36.040  1.00 33.73 ? 116 HIS A C     1 
ATOM   936  O O     . HIS A 1 116 ? -12.440 1.211   35.123  1.00 32.25 ? 116 HIS A O     1 
ATOM   937  C CB    . HIS A 1 116 ? -9.537  2.348   36.368  1.00 27.87 ? 116 HIS A CB    1 
ATOM   938  N N     . GLN B 1 3   ? 31.836  31.610  19.467  1.00 44.11 ? 3   GLN B N     1 
ATOM   939  C CA    . GLN B 1 3   ? 33.151  31.083  19.125  1.00 40.81 ? 3   GLN B CA    1 
ATOM   940  C C     . GLN B 1 3   ? 33.020  30.048  18.000  1.00 32.48 ? 3   GLN B C     1 
ATOM   941  O O     . GLN B 1 3   ? 33.996  29.749  17.315  1.00 30.32 ? 3   GLN B O     1 
ATOM   942  C CB    . GLN B 1 3   ? 33.832  30.480  20.358  1.00 42.30 ? 3   GLN B CB    1 
ATOM   943  C CG    . GLN B 1 3   ? 35.257  30.013  20.121  1.00 47.10 ? 3   GLN B CG    1 
ATOM   944  C CD    . GLN B 1 3   ? 35.922  29.494  21.384  1.00 52.10 ? 3   GLN B CD    1 
ATOM   945  O OE1   . GLN B 1 3   ? 36.171  30.251  22.326  1.00 55.12 ? 3   GLN B OE1   1 
ATOM   946  N NE2   . GLN B 1 3   ? 36.212  28.198  21.410  1.00 49.09 ? 3   GLN B NE2   1 
ATOM   947  N N     . LEU B 1 4   ? 31.822  29.486  17.836  1.00 35.11 ? 4   LEU B N     1 
ATOM   948  C CA    . LEU B 1 4   ? 31.481  28.649  16.690  1.00 32.53 ? 4   LEU B CA    1 
ATOM   949  C C     . LEU B 1 4   ? 30.396  29.329  15.880  1.00 30.96 ? 4   LEU B C     1 
ATOM   950  O O     . LEU B 1 4   ? 29.398  29.795  16.440  1.00 30.02 ? 4   LEU B O     1 
ATOM   951  C CB    . LEU B 1 4   ? 30.980  27.255  17.084  1.00 29.55 ? 4   LEU B CB    1 
ATOM   952  C CG    . LEU B 1 4   ? 31.922  26.168  17.561  1.00 31.10 ? 4   LEU B CG    1 
ATOM   953  C CD1   . LEU B 1 4   ? 31.183  24.846  17.541  1.00 22.98 ? 4   LEU B CD1   1 
ATOM   954  C CD2   . LEU B 1 4   ? 33.119  26.101  16.632  1.00 27.25 ? 4   LEU B CD2   1 
ATOM   955  N N     . GLN B 1 5   ? 30.592  29.330  14.575  1.00 28.64 ? 5   GLN B N     1 
ATOM   956  C CA    . GLN B 1 5   ? 29.608  29.935  13.660  1.00 29.07 ? 5   GLN B CA    1 
ATOM   957  C C     . GLN B 1 5   ? 29.168  28.889  12.632  1.00 23.64 ? 5   GLN B C     1 
ATOM   958  O O     . GLN B 1 5   ? 30.031  28.472  11.881  1.00 24.20 ? 5   GLN B O     1 
ATOM   959  C CB    . GLN B 1 5   ? 30.321  31.027  12.883  1.00 33.85 ? 5   GLN B CB    1 
ATOM   960  C CG    . GLN B 1 5   ? 29.429  31.674  11.862  1.00 42.11 ? 5   GLN B CG    1 
ATOM   961  C CD    . GLN B 1 5   ? 28.170  32.152  12.518  1.00 49.09 ? 5   GLN B CD    1 
ATOM   962  O OE1   . GLN B 1 5   ? 28.222  32.875  13.498  1.00 52.96 ? 5   GLN B OE1   1 
ATOM   963  N NE2   . GLN B 1 5   ? 27.032  31.748  11.964  1.00 49.42 ? 5   GLN B NE2   1 
ATOM   964  N N     . GLU B 1 6   ? 27.919  28.448  12.687  1.00 18.87 ? 6   GLU B N     1 
ATOM   965  C CA    . GLU B 1 6   ? 27.349  27.537  11.704  1.00 18.44 ? 6   GLU B CA    1 
ATOM   966  C C     . GLU B 1 6   ? 26.686  28.319  10.592  1.00 20.29 ? 6   GLU B C     1 
ATOM   967  O O     . GLU B 1 6   ? 26.075  29.362  10.828  1.00 27.01 ? 6   GLU B O     1 
ATOM   968  C CB    . GLU B 1 6   ? 26.264  26.633  12.285  1.00 23.95 ? 6   GLU B CB    1 
ATOM   969  C CG    . GLU B 1 6   ? 26.674  25.486  13.107  1.00 25.22 ? 6   GLU B CG    1 
ATOM   970  C CD    . GLU B 1 6   ? 25.458  24.662  13.506  1.00 16.55 ? 6   GLU B CD    1 
ATOM   971  O OE1   . GLU B 1 6   ? 24.835  24.024  12.618  1.00 14.81 ? 6   GLU B OE1   1 
ATOM   972  O OE2   . GLU B 1 6   ? 25.103  24.710  14.697  1.00 17.67 ? 6   GLU B OE2   1 
ATOM   973  N N     . SER B 1 7   ? 26.738  27.766  9.384   1.00 14.84 ? 7   SER B N     1 
ATOM   974  C CA    . SER B 1 7   ? 26.004  28.352  8.274   1.00 18.46 ? 7   SER B CA    1 
ATOM   975  C C     . SER B 1 7   ? 25.659  27.259  7.276   1.00 18.62 ? 7   SER B C     1 
ATOM   976  O O     . SER B 1 7   ? 26.180  26.140  7.341   1.00 18.54 ? 7   SER B O     1 
ATOM   977  C CB    . SER B 1 7   ? 26.811  29.454  7.605   1.00 21.91 ? 7   SER B CB    1 
ATOM   978  O OG    . SER B 1 7   ? 28.100  28.965  7.323   1.00 26.83 ? 7   SER B OG    1 
ATOM   979  N N     . GLY B 1 8   ? 24.763  27.600  6.352   1.00 14.47 ? 8   GLY B N     1 
ATOM   980  C CA    . GLY B 1 8   ? 24.423  26.746  5.231   1.00 13.98 ? 8   GLY B CA    1 
ATOM   981  C C     . GLY B 1 8   ? 23.007  26.202  5.230   1.00 15.61 ? 8   GLY B C     1 
ATOM   982  O O     . GLY B 1 8   ? 22.622  25.547  4.250   1.00 12.71 ? 8   GLY B O     1 
ATOM   983  N N     . GLY B 1 9   ? 22.220  26.446  6.282   1.00 12.72 ? 9   GLY B N     1 
ATOM   984  C CA    . GLY B 1 9   ? 20.887  25.881  6.351   1.00 14.21 ? 9   GLY B CA    1 
ATOM   985  C C     . GLY B 1 9   ? 19.940  26.470  5.322   1.00 18.25 ? 9   GLY B C     1 
ATOM   986  O O     . GLY B 1 9   ? 20.182  27.517  4.727   1.00 20.12 ? 9   GLY B O     1 
ATOM   987  N N     . GLY B 1 10  ? 18.834  25.770  5.102   1.00 15.98 ? 10  GLY B N     1 
ATOM   988  C CA    . GLY B 1 10  ? 17.849  26.253  4.154   1.00 16.11 ? 10  GLY B CA    1 
ATOM   989  C C     . GLY B 1 10  ? 16.971  25.118  3.655   1.00 17.51 ? 10  GLY B C     1 
ATOM   990  O O     . GLY B 1 10  ? 16.890  24.056  4.272   1.00 14.31 ? 10  GLY B O     1 
ATOM   991  N N     . LEU B 1 11  ? 16.334  25.382  2.522   1.00 14.78 ? 11  LEU B N     1 
ATOM   992  C CA    . LEU B 1 11  ? 15.382  24.482  1.895   1.00 16.86 ? 11  LEU B CA    1 
ATOM   993  C C     . LEU B 1 11  ? 15.995  23.838  0.661   1.00 18.09 ? 11  LEU B C     1 
ATOM   994  O O     . LEU B 1 11  ? 16.628  24.514  -0.162  1.00 16.68 ? 11  LEU B O     1 
ATOM   995  C CB    . LEU B 1 11  ? 14.106  25.232  1.505   1.00 24.22 ? 11  LEU B CB    1 
ATOM   996  C CG    . LEU B 1 11  ? 13.097  24.419  0.702   1.00 27.28 ? 11  LEU B CG    1 
ATOM   997  C CD1   . LEU B 1 11  ? 12.558  23.260  1.537   1.00 24.93 ? 11  LEU B CD1   1 
ATOM   998  C CD2   . LEU B 1 11  ? 11.965  25.317  0.221   1.00 31.17 ? 11  LEU B CD2   1 
ATOM   999  N N     . VAL B 1 12  ? 15.778  22.536  0.523   1.00 17.95 ? 12  VAL B N     1 
ATOM   1000 C CA    . VAL B 1 12  ? 16.290  21.765  -0.600  1.00 19.48 ? 12  VAL B CA    1 
ATOM   1001 C C     . VAL B 1 12  ? 15.262  20.699  -0.948  1.00 22.18 ? 12  VAL B C     1 
ATOM   1002 O O     . VAL B 1 12  ? 14.561  20.181  -0.074  1.00 20.25 ? 12  VAL B O     1 
ATOM   1003 C CB    . VAL B 1 12  ? 17.658  21.134  -0.259  1.00 20.39 ? 12  VAL B CB    1 
ATOM   1004 C CG1   . VAL B 1 12  ? 17.504  20.161  0.904   1.00 22.33 ? 12  VAL B CG1   1 
ATOM   1005 C CG2   . VAL B 1 12  ? 18.262  20.437  -1.489  1.00 21.23 ? 12  VAL B CG2   1 
ATOM   1006 N N     . GLN B 1 13  ? 15.156  20.385  -2.237  1.00 23.39 ? 13  GLN B N     1 
ATOM   1007 C CA    . GLN B 1 13  ? 14.285  19.299  -2.670  1.00 23.11 ? 13  GLN B CA    1 
ATOM   1008 C C     . GLN B 1 13  ? 14.883  17.948  -2.300  1.00 17.00 ? 13  GLN B C     1 
ATOM   1009 O O     . GLN B 1 13  ? 16.106  17.772  -2.264  1.00 16.69 ? 13  GLN B O     1 
ATOM   1010 C CB    . GLN B 1 13  ? 14.061  19.335  -4.189  1.00 23.48 ? 13  GLN B CB    1 
ATOM   1011 C CG    . GLN B 1 13  ? 13.292  20.531  -4.706  1.00 39.52 ? 13  GLN B CG    1 
ATOM   1012 C CD    . GLN B 1 13  ? 12.931  20.385  -6.180  1.00 47.33 ? 13  GLN B CD    1 
ATOM   1013 O OE1   . GLN B 1 13  ? 13.725  19.879  -6.980  1.00 42.78 ? 13  GLN B OE1   1 
ATOM   1014 N NE2   . GLN B 1 13  ? 11.727  20.820  -6.542  1.00 58.92 ? 13  GLN B NE2   1 
ATOM   1015 N N     . ALA B 1 14  ? 14.005  16.976  -2.047  1.00 17.99 ? 14  ALA B N     1 
ATOM   1016 C CA    . ALA B 1 14  ? 14.465  15.608  -1.860  1.00 15.93 ? 14  ALA B CA    1 
ATOM   1017 C C     . ALA B 1 14  ? 15.337  15.198  -3.042  1.00 22.09 ? 14  ALA B C     1 
ATOM   1018 O O     . ALA B 1 14  ? 15.039  15.523  -4.197  1.00 22.42 ? 14  ALA B O     1 
ATOM   1019 C CB    . ALA B 1 14  ? 13.271  14.666  -1.729  1.00 20.88 ? 14  ALA B CB    1 
ATOM   1020 N N     . GLY B 1 15  ? 16.414  14.468  -2.750  1.00 23.01 ? 15  GLY B N     1 
ATOM   1021 C CA    . GLY B 1 15  ? 17.407  14.132  -3.740  1.00 15.62 ? 15  GLY B CA    1 
ATOM   1022 C C     . GLY B 1 15  ? 18.488  15.183  -3.918  1.00 25.59 ? 15  GLY B C     1 
ATOM   1023 O O     . GLY B 1 15  ? 19.531  14.893  -4.522  1.00 17.45 ? 15  GLY B O     1 
ATOM   1024 N N     . GLY B 1 16  ? 18.266  16.393  -3.416  1.00 14.86 ? 16  GLY B N     1 
ATOM   1025 C CA    . GLY B 1 16  ? 19.227  17.473  -3.526  1.00 16.43 ? 16  GLY B CA    1 
ATOM   1026 C C     . GLY B 1 16  ? 20.386  17.334  -2.554  1.00 16.42 ? 16  GLY B C     1 
ATOM   1027 O O     . GLY B 1 16  ? 20.528  16.348  -1.828  1.00 18.81 ? 16  GLY B O     1 
ATOM   1028 N N     . SER B 1 17  ? 21.239  18.357  -2.552  1.00 14.30 ? 17  SER B N     1 
ATOM   1029 C CA    . SER B 1 17  ? 22.432  18.338  -1.720  1.00 14.70 ? 17  SER B CA    1 
ATOM   1030 C C     . SER B 1 17  ? 22.747  19.750  -1.253  1.00 18.32 ? 17  SER B C     1 
ATOM   1031 O O     . SER B 1 17  ? 22.415  20.729  -1.927  1.00 18.22 ? 17  SER B O     1 
ATOM   1032 C CB    . SER B 1 17  ? 23.630  17.771  -2.485  1.00 18.99 ? 17  SER B CB    1 
ATOM   1033 O OG    . SER B 1 17  ? 23.269  16.600  -3.178  1.00 20.07 ? 17  SER B OG    1 
ATOM   1034 N N     . LEU B 1 18  ? 23.399  19.841  -0.096  1.00 13.00 ? 18  LEU B N     1 
ATOM   1035 C CA    . LEU B 1 18  ? 23.880  21.106  0.442   1.00 11.76 ? 18  LEU B CA    1 
ATOM   1036 C C     . LEU B 1 18  ? 25.004  20.801  1.424   1.00 15.25 ? 18  LEU B C     1 
ATOM   1037 O O     . LEU B 1 18  ? 25.226  19.651  1.807   1.00 13.91 ? 18  LEU B O     1 
ATOM   1038 C CB    . LEU B 1 18  ? 22.746  21.893  1.106   1.00 15.28 ? 18  LEU B CB    1 
ATOM   1039 C CG    . LEU B 1 18  ? 22.126  21.218  2.332   1.00 15.77 ? 18  LEU B CG    1 
ATOM   1040 C CD1   . LEU B 1 18  ? 22.937  21.554  3.586   1.00 16.52 ? 18  LEU B CD1   1 
ATOM   1041 C CD2   . LEU B 1 18  ? 20.684  21.610  2.496   1.00 14.54 ? 18  LEU B CD2   1 
ATOM   1042 N N     . ARG B 1 19  ? 25.722  21.843  1.817   1.00 11.39 ? 19  ARG B N     1 
ATOM   1043 C CA    . ARG B 1 19  ? 26.872  21.715  2.705   1.00 16.41 ? 19  ARG B CA    1 
ATOM   1044 C C     . ARG B 1 19  ? 26.673  22.617  3.915   1.00 15.78 ? 19  ARG B C     1 
ATOM   1045 O O     . ARG B 1 19  ? 26.375  23.805  3.755   1.00 14.71 ? 19  ARG B O     1 
ATOM   1046 C CB    . ARG B 1 19  ? 28.159  22.091  1.960   1.00 18.94 ? 19  ARG B CB    1 
ATOM   1047 C CG    . ARG B 1 19  ? 29.443  21.855  2.721   1.00 18.72 ? 19  ARG B CG    1 
ATOM   1048 C CD    . ARG B 1 19  ? 30.653  22.367  1.945   1.00 20.25 ? 19  ARG B CD    1 
ATOM   1049 N NE    . ARG B 1 19  ? 30.698  23.825  1.882   1.00 24.78 ? 19  ARG B NE    1 
ATOM   1050 C CZ    . ARG B 1 19  ? 31.730  24.531  1.427   1.00 30.32 ? 19  ARG B CZ    1 
ATOM   1051 N NH1   . ARG B 1 19  ? 32.819  23.924  0.974   1.00 21.92 ? 19  ARG B NH1   1 
ATOM   1052 N NH2   . ARG B 1 19  ? 31.671  25.856  1.425   1.00 36.25 ? 19  ARG B NH2   1 
ATOM   1053 N N     . LEU B 1 20  ? 26.844  22.064  5.121   1.00 10.23 ? 20  LEU B N     1 
ATOM   1054 C CA    . LEU B 1 20  ? 26.875  22.885  6.330   1.00 10.39 ? 20  LEU B CA    1 
ATOM   1055 C C     . LEU B 1 20  ? 28.314  23.220  6.720   1.00 13.75 ? 20  LEU B C     1 
ATOM   1056 O O     . LEU B 1 20  ? 29.234  22.424  6.518   1.00 12.09 ? 20  LEU B O     1 
ATOM   1057 C CB    . LEU B 1 20  ? 26.181  22.188  7.501   1.00 10.09 ? 20  LEU B CB    1 
ATOM   1058 C CG    . LEU B 1 20  ? 24.706  21.851  7.260   1.00 10.80 ? 20  LEU B CG    1 
ATOM   1059 C CD1   . LEU B 1 20  ? 24.048  21.297  8.540   1.00 10.94 ? 20  LEU B CD1   1 
ATOM   1060 C CD2   . LEU B 1 20  ? 23.945  23.052  6.708   1.00 14.01 ? 20  LEU B CD2   1 
ATOM   1061 N N     . SER B 1 21  ? 28.500  24.409  7.292   1.00 11.59 ? 21  SER B N     1 
ATOM   1062 C CA    . SER B 1 21  ? 29.812  24.879  7.711   1.00 14.14 ? 21  SER B CA    1 
ATOM   1063 C C     . SER B 1 21  ? 29.819  25.130  9.210   1.00 16.04 ? 21  SER B C     1 
ATOM   1064 O O     . SER B 1 21  ? 28.848  25.650  9.768   1.00 17.25 ? 21  SER B O     1 
ATOM   1065 C CB    . SER B 1 21  ? 30.209  26.177  6.977   1.00 19.15 ? 21  SER B CB    1 
ATOM   1066 O OG    . SER B 1 21  ? 30.329  25.966  5.580   1.00 26.36 ? 21  SER B OG    1 
ATOM   1067 N N     . CYS B 1 22  ? 30.923  24.766  9.857   1.00 14.42 ? 22  CYS B N     1 
ATOM   1068 C CA    . CYS B 1 22  ? 31.144  25.079  11.267  1.00 17.07 ? 22  CYS B CA    1 
ATOM   1069 C C     . CYS B 1 22  ? 32.529  25.713  11.369  1.00 16.14 ? 22  CYS B C     1 
ATOM   1070 O O     . CYS B 1 22  ? 33.548  25.017  11.313  1.00 16.59 ? 22  CYS B O     1 
ATOM   1071 C CB    . CYS B 1 22  ? 31.015  23.825  12.124  1.00 22.06 ? 22  CYS B CB    1 
ATOM   1072 S SG    . CYS B 1 22  ? 30.953  24.095  13.915  1.00 27.79 ? 22  CYS B SG    1 
ATOM   1073 N N     . ALA B 1 23  ? 32.567  27.034  11.513  1.00 17.39 ? 23  ALA B N     1 
ATOM   1074 C CA    . ALA B 1 23  ? 33.813  27.783  11.553  1.00 19.59 ? 23  ALA B CA    1 
ATOM   1075 C C     . ALA B 1 23  ? 34.142  28.169  12.990  1.00 21.01 ? 23  ALA B C     1 
ATOM   1076 O O     . ALA B 1 23  ? 33.311  28.766  13.680  1.00 20.74 ? 23  ALA B O     1 
ATOM   1077 C CB    . ALA B 1 23  ? 33.714  29.031  10.677  1.00 23.16 ? 23  ALA B CB    1 
ATOM   1078 N N     . ALA B 1 24  ? 35.360  27.844  13.424  1.00 26.60 ? 24  ALA B N     1 
ATOM   1079 C CA    . ALA B 1 24  ? 35.812  28.059  14.791  1.00 28.38 ? 24  ALA B CA    1 
ATOM   1080 C C     . ALA B 1 24  ? 36.836  29.189  14.862  1.00 38.23 ? 24  ALA B C     1 
ATOM   1081 O O     . ALA B 1 24  ? 37.609  29.415  13.926  1.00 29.98 ? 24  ALA B O     1 
ATOM   1082 C CB    . ALA B 1 24  ? 36.417  26.778  15.378  1.00 24.56 ? 24  ALA B CB    1 
ATOM   1083 N N     . SER B 1 25  ? 36.833  29.894  15.991  1.00 49.67 ? 25  SER B N     1 
ATOM   1084 C CA    . SER B 1 25  ? 37.827  30.930  16.273  1.00 56.84 ? 25  SER B CA    1 
ATOM   1085 C C     . SER B 1 25  ? 39.250  30.461  15.975  1.00 59.84 ? 25  SER B C     1 
ATOM   1086 O O     . SER B 1 25  ? 39.703  29.441  16.494  1.00 59.56 ? 25  SER B O     1 
ATOM   1087 C CB    . SER B 1 25  ? 37.726  31.378  17.732  1.00 60.09 ? 25  SER B CB    1 
ATOM   1088 O OG    . SER B 1 25  ? 36.416  31.823  18.042  1.00 64.91 ? 25  SER B OG    1 
ATOM   1089 N N     . ASN B 1 32  ? 41.089  19.531  17.923  1.00 35.47 ? 32  ASN B N     1 
ATOM   1090 C CA    . ASN B 1 32  ? 39.878  20.196  17.453  1.00 31.87 ? 32  ASN B CA    1 
ATOM   1091 C C     . ASN B 1 32  ? 38.848  19.192  16.936  1.00 19.85 ? 32  ASN B C     1 
ATOM   1092 O O     . ASN B 1 32  ? 38.599  19.122  15.736  1.00 22.00 ? 32  ASN B O     1 
ATOM   1093 C CB    . ASN B 1 32  ? 40.221  21.193  16.344  1.00 46.14 ? 32  ASN B CB    1 
ATOM   1094 C CG    . ASN B 1 32  ? 40.751  22.508  16.885  1.00 57.72 ? 32  ASN B CG    1 
ATOM   1095 O OD1   . ASN B 1 32  ? 39.988  23.376  17.312  1.00 57.91 ? 32  ASN B OD1   1 
ATOM   1096 N ND2   . ASN B 1 32  ? 42.071  22.662  16.862  1.00 66.14 ? 32  ASN B ND2   1 
ATOM   1097 N N     . THR B 1 33  ? 38.237  18.426  17.835  1.00 18.25 ? 33  THR B N     1 
ATOM   1098 C CA    . THR B 1 33  ? 37.228  17.459  17.421  1.00 19.73 ? 33  THR B CA    1 
ATOM   1099 C C     . THR B 1 33  ? 35.887  18.154  17.242  1.00 23.50 ? 33  THR B C     1 
ATOM   1100 O O     . THR B 1 33  ? 35.408  18.837  18.152  1.00 24.18 ? 33  THR B O     1 
ATOM   1101 C CB    . THR B 1 33  ? 37.116  16.338  18.453  1.00 23.60 ? 33  THR B CB    1 
ATOM   1102 O OG1   . THR B 1 33  ? 38.384  15.679  18.560  1.00 36.26 ? 33  THR B OG1   1 
ATOM   1103 C CG2   . THR B 1 33  ? 36.045  15.336  18.063  1.00 22.26 ? 33  THR B CG2   1 
ATOM   1104 N N     . MET B 1 34  ? 35.256  17.934  16.093  1.00 17.86 ? 34  MET B N     1 
ATOM   1105 C CA    . MET B 1 34  ? 33.966  18.537  15.793  1.00 19.18 ? 34  MET B CA    1 
ATOM   1106 C C     . MET B 1 34  ? 32.910  17.443  15.720  1.00 19.27 ? 34  MET B C     1 
ATOM   1107 O O     . MET B 1 34  ? 33.092  16.440  15.021  1.00 11.60 ? 34  MET B O     1 
ATOM   1108 C CB    . MET B 1 34  ? 34.030  19.298  14.463  1.00 27.31 ? 34  MET B CB    1 
ATOM   1109 C CG    . MET B 1 34  ? 33.061  20.470  14.330  1.00 46.55 ? 34  MET B CG    1 
ATOM   1110 S SD    . MET B 1 34  ? 33.733  22.026  14.970  1.00 59.92 ? 34  MET B SD    1 
ATOM   1111 C CE    . MET B 1 34  ? 35.317  22.098  14.135  1.00 49.87 ? 34  MET B CE    1 
ATOM   1112 N N     . THR B 1 35  ? 31.775  17.678  16.359  1.00 11.13 ? 35  THR B N     1 
ATOM   1113 C CA    . THR B 1 35  ? 30.700  16.704  16.382  1.00 10.39 ? 35  THR B CA    1 
ATOM   1114 C C     . THR B 1 35  ? 29.445  17.407  15.914  1.00 9.61  ? 35  THR B C     1 
ATOM   1115 O O     . THR B 1 35  ? 29.214  18.578  16.241  1.00 9.71  ? 35  THR B O     1 
ATOM   1116 C CB    . THR B 1 35  ? 30.485  16.116  17.787  1.00 14.98 ? 35  THR B CB    1 
ATOM   1117 O OG1   . THR B 1 35  ? 31.714  15.566  18.270  1.00 19.84 ? 35  THR B OG1   1 
ATOM   1118 C CG2   . THR B 1 35  ? 29.429  15.024  17.753  1.00 12.71 ? 35  THR B CG2   1 
ATOM   1119 N N     . TRP B 1 36  ? 28.649  16.693  15.132  1.00 9.00  ? 36  TRP B N     1 
ATOM   1120 C CA    . TRP B 1 36  ? 27.388  17.206  14.633  1.00 8.42  ? 36  TRP B CA    1 
ATOM   1121 C C     . TRP B 1 36  ? 26.232  16.425  15.239  1.00 8.12  ? 36  TRP B C     1 
ATOM   1122 O O     . TRP B 1 36  ? 26.307  15.200  15.379  1.00 8.50  ? 36  TRP B O     1 
ATOM   1123 C CB    . TRP B 1 36  ? 27.345  17.114  13.110  1.00 8.21  ? 36  TRP B CB    1 
ATOM   1124 C CG    . TRP B 1 36  ? 28.344  17.970  12.429  1.00 14.05 ? 36  TRP B CG    1 
ATOM   1125 C CD1   . TRP B 1 36  ? 29.669  17.682  12.228  1.00 19.04 ? 36  TRP B CD1   1 
ATOM   1126 C CD2   . TRP B 1 36  ? 28.110  19.241  11.814  1.00 10.33 ? 36  TRP B CD2   1 
ATOM   1127 N NE1   . TRP B 1 36  ? 30.271  18.705  11.542  1.00 19.27 ? 36  TRP B NE1   1 
ATOM   1128 C CE2   . TRP B 1 36  ? 29.336  19.672  11.274  1.00 15.18 ? 36  TRP B CE2   1 
ATOM   1129 C CE3   . TRP B 1 36  ? 26.986  20.059  11.672  1.00 11.87 ? 36  TRP B CE3   1 
ATOM   1130 C CZ2   . TRP B 1 36  ? 29.465  20.877  10.601  1.00 12.69 ? 36  TRP B CZ2   1 
ATOM   1131 C CZ3   . TRP B 1 36  ? 27.121  21.260  11.013  1.00 12.36 ? 36  TRP B CZ3   1 
ATOM   1132 C CH2   . TRP B 1 36  ? 28.351  21.657  10.487  1.00 16.01 ? 36  TRP B CH2   1 
ATOM   1133 N N     . TYR B 1 37  ? 25.164  17.145  15.579  1.00 7.93  ? 37  TYR B N     1 
ATOM   1134 C CA    . TYR B 1 37  ? 23.909  16.577  16.051  1.00 7.78  ? 37  TYR B CA    1 
ATOM   1135 C C     . TYR B 1 37  ? 22.759  17.112  15.212  1.00 7.51  ? 37  TYR B C     1 
ATOM   1136 O O     . TYR B 1 37  ? 22.859  18.164  14.590  1.00 9.04  ? 37  TYR B O     1 
ATOM   1137 C CB    . TYR B 1 37  ? 23.641  16.926  17.524  1.00 9.03  ? 37  TYR B CB    1 
ATOM   1138 C CG    . TYR B 1 37  ? 24.709  16.422  18.449  1.00 8.61  ? 37  TYR B CG    1 
ATOM   1139 C CD1   . TYR B 1 37  ? 25.870  17.149  18.668  1.00 9.00  ? 37  TYR B CD1   1 
ATOM   1140 C CD2   . TYR B 1 37  ? 24.573  15.193  19.080  1.00 8.87  ? 37  TYR B CD2   1 
ATOM   1141 C CE1   . TYR B 1 37  ? 26.859  16.668  19.504  1.00 20.00 ? 37  TYR B CE1   1 
ATOM   1142 C CE2   . TYR B 1 37  ? 25.556  14.704  19.914  1.00 9.51  ? 37  TYR B CE2   1 
ATOM   1143 C CZ    . TYR B 1 37  ? 26.701  15.445  20.122  1.00 9.90  ? 37  TYR B CZ    1 
ATOM   1144 O OH    . TYR B 1 37  ? 27.697  14.961  20.962  1.00 10.74 ? 37  TYR B OH    1 
ATOM   1145 N N     . ARG B 1 38  ? 21.634  16.410  15.238  1.00 7.48  ? 38  ARG B N     1 
ATOM   1146 C CA    . ARG B 1 38  ? 20.436  16.960  14.631  1.00 7.46  ? 38  ARG B CA    1 
ATOM   1147 C C     . ARG B 1 38  ? 19.221  16.582  15.462  1.00 12.64 ? 38  ARG B C     1 
ATOM   1148 O O     . ARG B 1 38  ? 19.221  15.570  16.171  1.00 13.84 ? 38  ARG B O     1 
ATOM   1149 C CB    . ARG B 1 38  ? 20.266  16.472  13.194  1.00 7.89  ? 38  ARG B CB    1 
ATOM   1150 C CG    . ARG B 1 38  ? 19.927  14.994  13.073  1.00 12.67 ? 38  ARG B CG    1 
ATOM   1151 C CD    . ARG B 1 38  ? 19.939  14.605  11.609  1.00 9.23  ? 38  ARG B CD    1 
ATOM   1152 N NE    . ARG B 1 38  ? 19.619  13.203  11.391  1.00 12.42 ? 38  ARG B NE    1 
ATOM   1153 C CZ    . ARG B 1 38  ? 19.612  12.622  10.194  1.00 17.83 ? 38  ARG B CZ    1 
ATOM   1154 N NH1   . ARG B 1 38  ? 19.908  13.331  9.101   1.00 8.43  ? 38  ARG B NH1   1 
ATOM   1155 N NH2   . ARG B 1 38  ? 19.319  11.329  10.091  1.00 18.68 ? 38  ARG B NH2   1 
ATOM   1156 N N     . GLN B 1 39  ? 18.187  17.411  15.373  1.00 7.91  ? 39  GLN B N     1 
ATOM   1157 C CA    . GLN B 1 39  ? 16.913  17.142  16.039  1.00 8.35  ? 39  GLN B CA    1 
ATOM   1158 C C     . GLN B 1 39  ? 15.804  17.338  15.015  1.00 8.88  ? 39  GLN B C     1 
ATOM   1159 O O     . GLN B 1 39  ? 15.539  18.465  14.575  1.00 9.73  ? 39  GLN B O     1 
ATOM   1160 C CB    . GLN B 1 39  ? 16.695  17.993  17.298  1.00 10.90 ? 39  GLN B CB    1 
ATOM   1161 C CG    . GLN B 1 39  ? 16.906  19.502  17.231  1.00 13.93 ? 39  GLN B CG    1 
ATOM   1162 C CD    . GLN B 1 39  ? 16.916  20.139  18.656  1.00 20.23 ? 39  GLN B CD    1 
ATOM   1163 O OE1   . GLN B 1 39  ? 17.664  19.711  19.545  1.00 13.12 ? 39  GLN B OE1   1 
ATOM   1164 N NE2   . GLN B 1 39  ? 16.059  21.130  18.869  1.00 17.76 ? 39  GLN B NE2   1 
ATOM   1165 N N     . ALA B 1 40  ? 15.224  16.235  14.582  1.00 8.85  ? 40  ALA B N     1 
ATOM   1166 C CA    . ALA B 1 40  ? 14.140  16.267  13.629  1.00 9.33  ? 40  ALA B CA    1 
ATOM   1167 C C     . ALA B 1 40  ? 12.818  16.543  14.335  1.00 10.06 ? 40  ALA B C     1 
ATOM   1168 O O     . ALA B 1 40  ? 12.695  16.352  15.550  1.00 10.22 ? 40  ALA B O     1 
ATOM   1169 C CB    . ALA B 1 40  ? 14.052  14.935  12.887  1.00 14.65 ? 40  ALA B CB    1 
ATOM   1170 N N     . PRO B 1 41  ? 11.813  17.005  13.593  1.00 12.63 ? 41  PRO B N     1 
ATOM   1171 C CA    . PRO B 1 41  ? 10.511  17.275  14.207  1.00 13.88 ? 41  PRO B CA    1 
ATOM   1172 C C     . PRO B 1 41  ? 9.993   16.048  14.940  1.00 12.06 ? 41  PRO B C     1 
ATOM   1173 O O     . PRO B 1 41  ? 10.012  14.935  14.411  1.00 12.18 ? 41  PRO B O     1 
ATOM   1174 C CB    . PRO B 1 41  ? 9.627   17.638  13.011  1.00 15.16 ? 41  PRO B CB    1 
ATOM   1175 C CG    . PRO B 1 41  ? 10.584  18.234  12.025  1.00 13.62 ? 41  PRO B CG    1 
ATOM   1176 C CD    . PRO B 1 41  ? 11.866  17.445  12.184  1.00 13.73 ? 41  PRO B CD    1 
ATOM   1177 N N     . GLY B 1 42  ? 9.535   16.259  16.173  1.00 12.48 ? 42  GLY B N     1 
ATOM   1178 C CA    . GLY B 1 42  ? 8.983   15.202  17.002  1.00 13.17 ? 42  GLY B CA    1 
ATOM   1179 C C     . GLY B 1 42  ? 9.972   14.156  17.460  1.00 12.66 ? 42  GLY B C     1 
ATOM   1180 O O     . GLY B 1 42  ? 9.556   13.134  18.005  1.00 13.35 ? 42  GLY B O     1 
ATOM   1181 N N     . LYS B 1 43  ? 11.276  14.402  17.303  1.00 11.63 ? 43  LYS B N     1 
ATOM   1182 C CA    . LYS B 1 43  ? 12.300  13.460  17.729  1.00 11.26 ? 43  LYS B CA    1 
ATOM   1183 C C     . LYS B 1 43  ? 13.276  14.184  18.643  1.00 10.76 ? 43  LYS B C     1 
ATOM   1184 O O     . LYS B 1 43  ? 13.444  15.400  18.555  1.00 10.44 ? 43  LYS B O     1 
ATOM   1185 C CB    . LYS B 1 43  ? 13.063  12.852  16.552  1.00 10.75 ? 43  LYS B CB    1 
ATOM   1186 C CG    . LYS B 1 43  ? 12.202  12.001  15.635  1.00 11.54 ? 43  LYS B CG    1 
ATOM   1187 C CD    . LYS B 1 43  ? 13.051  11.309  14.565  1.00 11.03 ? 43  LYS B CD    1 
ATOM   1188 C CE    . LYS B 1 43  ? 12.179  10.414  13.682  1.00 20.59 ? 43  LYS B CE    1 
ATOM   1189 N NZ    . LYS B 1 43  ? 13.001  9.678   12.677  1.00 17.86 ? 43  LYS B NZ    1 
ATOM   1190 N N     . GLN B 1 44  ? 13.936  13.414  19.501  1.00 10.85 ? 44  GLN B N     1 
ATOM   1191 C CA    . GLN B 1 44  ? 14.996  13.926  20.349  1.00 12.45 ? 44  GLN B CA    1 
ATOM   1192 C C     . GLN B 1 44  ? 16.298  14.071  19.568  1.00 9.74  ? 44  GLN B C     1 
ATOM   1193 O O     . GLN B 1 44  ? 16.486  13.507  18.483  1.00 9.45  ? 44  GLN B O     1 
ATOM   1194 C CB    . GLN B 1 44  ? 15.188  13.038  21.582  1.00 11.19 ? 44  GLN B CB    1 
ATOM   1195 C CG    . GLN B 1 44  ? 13.907  12.906  22.440  1.00 14.16 ? 44  GLN B CG    1 
ATOM   1196 C CD    . GLN B 1 44  ? 13.860  11.617  23.256  1.00 17.07 ? 44  GLN B CD    1 
ATOM   1197 O OE1   . GLN B 1 44  ? 14.137  11.629  24.447  1.00 14.10 ? 44  GLN B OE1   1 
ATOM   1198 N NE2   . GLN B 1 44  ? 13.506  10.502  22.614  1.00 22.27 ? 44  GLN B NE2   1 
ATOM   1199 N N     . ARG B 1 45  ? 17.193  14.870  20.129  1.00 9.53  ? 45  ARG B N     1 
ATOM   1200 C CA    . ARG B 1 45  ? 18.453  15.154  19.463  1.00 10.93 ? 45  ARG B CA    1 
ATOM   1201 C C     . ARG B 1 45  ? 19.300  13.893  19.376  1.00 14.11 ? 45  ARG B C     1 
ATOM   1202 O O     . ARG B 1 45  ? 19.384  13.120  20.335  1.00 13.49 ? 45  ARG B O     1 
ATOM   1203 C CB    . ARG B 1 45  ? 19.203  16.245  20.221  1.00 13.51 ? 45  ARG B CB    1 
ATOM   1204 C CG    . ARG B 1 45  ? 20.461  16.757  19.532  1.00 17.81 ? 45  ARG B CG    1 
ATOM   1205 C CD    . ARG B 1 45  ? 21.115  17.791  20.427  1.00 10.10 ? 45  ARG B CD    1 
ATOM   1206 N NE    . ARG B 1 45  ? 20.361  19.030  20.517  1.00 10.24 ? 45  ARG B NE    1 
ATOM   1207 C CZ    . ARG B 1 45  ? 20.677  20.012  21.358  1.00 11.56 ? 45  ARG B CZ    1 
ATOM   1208 N NH1   . ARG B 1 45  ? 21.701  19.856  22.191  1.00 10.05 ? 45  ARG B NH1   1 
ATOM   1209 N NH2   . ARG B 1 45  ? 19.966  21.133  21.382  1.00 11.92 ? 45  ARG B NH2   1 
ATOM   1210 N N     . GLU B 1 46  ? 19.927  13.684  18.216  1.00 9.86  ? 46  GLU B N     1 
ATOM   1211 C CA    . GLU B 1 46  ? 20.767  12.515  17.965  1.00 8.68  ? 46  GLU B CA    1 
ATOM   1212 C C     . GLU B 1 46  ? 22.115  12.921  17.391  1.00 8.38  ? 46  GLU B C     1 
ATOM   1213 O O     . GLU B 1 46  ? 22.195  13.801  16.530  1.00 7.98  ? 46  GLU B O     1 
ATOM   1214 C CB    . GLU B 1 46  ? 20.162  11.545  16.941  1.00 11.86 ? 46  GLU B CB    1 
ATOM   1215 C CG    . GLU B 1 46  ? 18.779  11.025  17.216  1.00 31.65 ? 46  GLU B CG    1 
ATOM   1216 C CD    . GLU B 1 46  ? 18.369  9.993   16.177  1.00 38.72 ? 46  GLU B CD    1 
ATOM   1217 O OE1   . GLU B 1 46  ? 17.683  10.368  15.200  1.00 39.84 ? 46  GLU B OE1   1 
ATOM   1218 O OE2   . GLU B 1 46  ? 18.766  8.817   16.328  1.00 35.23 ? 46  GLU B OE2   1 
ATOM   1219 N N     . TRP B 1 47  ? 23.153  12.209  17.810  1.00 8.74  ? 47  TRP B N     1 
ATOM   1220 C CA    . TRP B 1 47  ? 24.464  12.310  17.179  1.00 8.69  ? 47  TRP B CA    1 
ATOM   1221 C C     . TRP B 1 47  ? 24.353  11.919  15.706  1.00 10.21 ? 47  TRP B C     1 
ATOM   1222 O O     . TRP B 1 47  ? 23.668  10.951  15.358  1.00 8.53  ? 47  TRP B O     1 
ATOM   1223 C CB    . TRP B 1 47  ? 25.441  11.373  17.914  1.00 9.38  ? 47  TRP B CB    1 
ATOM   1224 C CG    . TRP B 1 47  ? 26.806  11.266  17.299  1.00 9.58  ? 47  TRP B CG    1 
ATOM   1225 C CD1   . TRP B 1 47  ? 27.843  12.146  17.426  1.00 18.54 ? 47  TRP B CD1   1 
ATOM   1226 C CD2   . TRP B 1 47  ? 27.249  10.252  16.387  1.00 13.78 ? 47  TRP B CD2   1 
ATOM   1227 N NE1   . TRP B 1 47  ? 28.925  11.714  16.677  1.00 12.36 ? 47  TRP B NE1   1 
ATOM   1228 C CE2   . TRP B 1 47  ? 28.577  10.558  16.027  1.00 13.80 ? 47  TRP B CE2   1 
ATOM   1229 C CE3   . TRP B 1 47  ? 26.650  9.107   15.843  1.00 17.35 ? 47  TRP B CE3   1 
ATOM   1230 C CZ2   . TRP B 1 47  ? 29.319  9.757   15.156  1.00 14.22 ? 47  TRP B CZ2   1 
ATOM   1231 C CZ3   . TRP B 1 47  ? 27.390  8.314   14.981  1.00 17.26 ? 47  TRP B CZ3   1 
ATOM   1232 C CH2   . TRP B 1 47  ? 28.706  8.647   14.642  1.00 10.52 ? 47  TRP B CH2   1 
ATOM   1233 N N     . VAL B 1 48  ? 25.004  12.686  14.826  1.00 8.15  ? 48  VAL B N     1 
ATOM   1234 C CA    A VAL B 1 48  ? 25.000  12.426  13.389  0.70 11.33 ? 48  VAL B CA    1 
ATOM   1235 C CA    B VAL B 1 48  ? 24.998  12.398  13.399  0.30 11.68 ? 48  VAL B CA    1 
ATOM   1236 C C     . VAL B 1 48  ? 26.387  12.057  12.876  1.00 9.77  ? 48  VAL B C     1 
ATOM   1237 O O     . VAL B 1 48  ? 26.534  11.137  12.065  1.00 12.25 ? 48  VAL B O     1 
ATOM   1238 C CB    A VAL B 1 48  ? 24.450  13.642  12.607  0.70 15.02 ? 48  VAL B CB    1 
ATOM   1239 C CB    B VAL B 1 48  ? 24.389  13.563  12.586  0.30 15.17 ? 48  VAL B CB    1 
ATOM   1240 C CG1   A VAL B 1 48  ? 24.458  13.354  11.115  0.70 15.32 ? 48  VAL B CG1   1 
ATOM   1241 C CG1   B VAL B 1 48  ? 22.984  13.878  13.075  0.30 18.61 ? 48  VAL B CG1   1 
ATOM   1242 C CG2   A VAL B 1 48  ? 23.059  14.020  13.076  0.70 19.96 ? 48  VAL B CG2   1 
ATOM   1243 C CG2   B VAL B 1 48  ? 25.274  14.779  12.667  0.30 13.92 ? 48  VAL B CG2   1 
ATOM   1244 N N     . ALA B 1 49  ? 27.417  12.782  13.303  1.00 9.56  ? 49  ALA B N     1 
ATOM   1245 C CA    . ALA B 1 49  ? 28.749  12.525  12.767  1.00 9.03  ? 49  ALA B CA    1 
ATOM   1246 C C     . ALA B 1 49  ? 29.777  13.234  13.630  1.00 9.47  ? 49  ALA B C     1 
ATOM   1247 O O     . ALA B 1 49  ? 29.464  14.211  14.315  1.00 12.94 ? 49  ALA B O     1 
ATOM   1248 C CB    . ALA B 1 49  ? 28.873  13.001  11.318  1.00 13.56 ? 49  ALA B CB    1 
ATOM   1249 N N     . THR B 1 50  ? 31.013  12.729  13.579  1.00 10.20 ? 50  THR B N     1 
ATOM   1250 C CA    . THR B 1 50  ? 32.151  13.335  14.258  1.00 10.92 ? 50  THR B CA    1 
ATOM   1251 C C     . THR B 1 50  ? 33.348  13.389  13.320  1.00 11.57 ? 50  THR B C     1 
ATOM   1252 O O     . THR B 1 50  ? 33.641  12.427  12.600  1.00 13.08 ? 50  THR B O     1 
ATOM   1253 C CB    . THR B 1 50  ? 32.537  12.568  15.543  1.00 14.61 ? 50  THR B CB    1 
ATOM   1254 O OG1   . THR B 1 50  ? 31.469  12.655  16.487  1.00 22.60 ? 50  THR B OG1   1 
ATOM   1255 C CG2   . THR B 1 50  ? 33.784  13.153  16.171  1.00 12.61 ? 50  THR B CG2   1 
ATOM   1256 N N     A MET B 1 51  ? 34.025  14.532  13.305  0.56 12.46 ? 51  MET B N     1 
ATOM   1257 N N     B MET B 1 51  ? 34.039  14.524  13.340  0.44 12.60 ? 51  MET B N     1 
ATOM   1258 C CA    A MET B 1 51  ? 35.331  14.650  12.670  0.56 15.30 ? 51  MET B CA    1 
ATOM   1259 C CA    B MET B 1 51  ? 35.328  14.691  12.679  0.44 15.33 ? 51  MET B CA    1 
ATOM   1260 C C     A MET B 1 51  ? 36.355  14.781  13.785  0.56 17.19 ? 51  MET B C     1 
ATOM   1261 C C     B MET B 1 51  ? 36.380  14.803  13.775  0.44 17.00 ? 51  MET B C     1 
ATOM   1262 O O     A MET B 1 51  ? 36.400  15.806  14.477  0.56 14.23 ? 51  MET B O     1 
ATOM   1263 O O     B MET B 1 51  ? 36.472  15.837  14.447  0.44 16.09 ? 51  MET B O     1 
ATOM   1264 C CB    A MET B 1 51  ? 35.408  15.836  11.713  0.56 15.87 ? 51  MET B CB    1 
ATOM   1265 C CB    B MET B 1 51  ? 35.327  15.924  11.778  0.44 16.20 ? 51  MET B CB    1 
ATOM   1266 C CG    A MET B 1 51  ? 36.809  16.048  11.166  0.56 20.80 ? 51  MET B CG    1 
ATOM   1267 C CG    B MET B 1 51  ? 36.706  16.493  11.504  0.44 19.76 ? 51  MET B CG    1 
ATOM   1268 S SD    A MET B 1 51  ? 36.835  16.411  9.407   0.56 16.66 ? 51  MET B SD    1 
ATOM   1269 S SD    B MET B 1 51  ? 37.769  15.322  10.642  0.44 21.71 ? 51  MET B SD    1 
ATOM   1270 C CE    A MET B 1 51  ? 38.474  15.837  8.963   0.56 21.76 ? 51  MET B CE    1 
ATOM   1271 C CE    B MET B 1 51  ? 36.970  15.259  9.040   0.44 18.06 ? 51  MET B CE    1 
ATOM   1272 N N     . ARG B 1 52  ? 37.155  13.737  13.969  1.00 14.90 ? 52  ARG B N     1 
ATOM   1273 C CA    . ARG B 1 52  ? 38.153  13.733  15.024  1.00 16.19 ? 52  ARG B CA    1 
ATOM   1274 C C     . ARG B 1 52  ? 39.307  14.661  14.661  1.00 17.30 ? 52  ARG B C     1 
ATOM   1275 O O     . ARG B 1 52  ? 39.656  14.824  13.487  1.00 17.48 ? 52  ARG B O     1 
ATOM   1276 C CB    . ARG B 1 52  ? 38.665  12.301  15.221  1.00 28.99 ? 52  ARG B CB    1 
ATOM   1277 C CG    . ARG B 1 52  ? 37.530  11.273  15.422  1.00 33.29 ? 52  ARG B CG    1 
ATOM   1278 C CD    . ARG B 1 52  ? 38.034  9.886   15.830  1.00 41.60 ? 52  ARG B CD    1 
ATOM   1279 N NE    . ARG B 1 52  ? 38.644  9.846   17.153  1.00 59.77 ? 52  ARG B NE    1 
ATOM   1280 C CZ    . ARG B 1 52  ? 37.969  9.712   18.291  1.00 71.62 ? 52  ARG B CZ    1 
ATOM   1281 N NH1   . ARG B 1 52  ? 36.645  9.599   18.277  1.00 70.74 ? 52  ARG B NH1   1 
ATOM   1282 N NH2   . ARG B 1 52  ? 38.622  9.682   19.447  1.00 77.48 ? 52  ARG B NH2   1 
ATOM   1283 N N     . SER B 1 53  ? 39.952  15.217  15.694  1.00 18.51 ? 53  SER B N     1 
ATOM   1284 C CA    . SER B 1 53  ? 41.105  16.087  15.474  1.00 19.73 ? 53  SER B CA    1 
ATOM   1285 C C     . SER B 1 53  ? 42.171  15.393  14.632  1.00 23.44 ? 53  SER B C     1 
ATOM   1286 O O     . SER B 1 53  ? 42.840  16.029  13.807  1.00 21.51 ? 53  SER B O     1 
ATOM   1287 C CB    . SER B 1 53  ? 41.673  16.554  16.817  1.00 25.60 ? 53  SER B CB    1 
ATOM   1288 O OG    . SER B 1 53  ? 42.013  15.446  17.636  1.00 40.07 ? 53  SER B OG    1 
ATOM   1289 N N     . ILE B 1 54  ? 42.342  14.084  14.829  1.00 21.10 ? 54  ILE B N     1 
ATOM   1290 C CA    . ILE B 1 54  ? 43.370  13.337  14.113  1.00 22.32 ? 54  ILE B CA    1 
ATOM   1291 C C     . ILE B 1 54  ? 43.005  13.100  12.654  1.00 21.47 ? 54  ILE B C     1 
ATOM   1292 O O     . ILE B 1 54  ? 43.854  12.665  11.870  1.00 22.53 ? 54  ILE B O     1 
ATOM   1293 C CB    . ILE B 1 54  ? 43.576  12.000  14.855  1.00 22.99 ? 54  ILE B CB    1 
ATOM   1294 C CG1   . ILE B 1 54  ? 44.904  11.344  14.487  1.00 24.89 ? 54  ILE B CG1   1 
ATOM   1295 C CG2   . ILE B 1 54  ? 42.431  11.056  14.547  1.00 24.22 ? 54  ILE B CG2   1 
ATOM   1296 C CD1   . ILE B 1 54  ? 45.178  10.111  15.319  1.00 25.86 ? 54  ILE B CD1   1 
ATOM   1297 N N     . GLY B 1 55  ? 41.777  13.448  12.260  1.00 19.93 ? 55  GLY B N     1 
ATOM   1298 C CA    . GLY B 1 55  ? 41.323  13.387  10.886  1.00 19.01 ? 55  GLY B CA    1 
ATOM   1299 C C     . GLY B 1 55  ? 40.390  12.242  10.539  1.00 21.26 ? 55  GLY B C     1 
ATOM   1300 O O     . GLY B 1 55  ? 39.806  12.258  9.449   1.00 17.62 ? 55  GLY B O     1 
ATOM   1301 N N     . THR B 1 56  ? 40.190  11.280  11.428  1.00 18.03 ? 56  THR B N     1 
ATOM   1302 C CA    . THR B 1 56  ? 39.238  10.214  11.148  1.00 17.46 ? 56  THR B CA    1 
ATOM   1303 C C     . THR B 1 56  ? 37.806  10.709  11.333  1.00 16.74 ? 56  THR B C     1 
ATOM   1304 O O     . THR B 1 56  ? 37.540  11.674  12.058  1.00 18.96 ? 56  THR B O     1 
ATOM   1305 C CB    . THR B 1 56  ? 39.494  8.993   12.037  1.00 18.67 ? 56  THR B CB    1 
ATOM   1306 O OG1   . THR B 1 56  ? 39.598  9.402   13.405  1.00 22.82 ? 56  THR B OG1   1 
ATOM   1307 C CG2   . THR B 1 56  ? 40.777  8.279   11.614  1.00 19.60 ? 56  THR B CG2   1 
ATOM   1308 N N     . THR B 1 57  ? 36.878  10.053  10.645  1.00 16.08 ? 57  THR B N     1 
ATOM   1309 C CA    . THR B 1 57  ? 35.483  10.469  10.632  1.00 13.53 ? 57  THR B CA    1 
ATOM   1310 C C     . THR B 1 57  ? 34.603  9.283   10.989  1.00 13.22 ? 57  THR B C     1 
ATOM   1311 O O     . THR B 1 57  ? 34.939  8.139   10.692  1.00 15.32 ? 57  THR B O     1 
ATOM   1312 C CB    . THR B 1 57  ? 35.067  11.005  9.256   1.00 17.20 ? 57  THR B CB    1 
ATOM   1313 O OG1   . THR B 1 57  ? 35.354  10.017  8.257   1.00 14.81 ? 57  THR B OG1   1 
ATOM   1314 C CG2   . THR B 1 57  ? 35.836  12.279  8.927   1.00 13.43 ? 57  THR B CG2   1 
ATOM   1315 N N     . ARG B 1 58  ? 33.465  9.557   11.619  1.00 13.33 ? 58  ARG B N     1 
ATOM   1316 C CA    . ARG B 1 58  ? 32.474  8.511   11.854  1.00 12.10 ? 58  ARG B CA    1 
ATOM   1317 C C     . ARG B 1 58  ? 31.088  9.100   11.664  1.00 11.05 ? 58  ARG B C     1 
ATOM   1318 O O     . ARG B 1 58  ? 30.875  10.290  11.904  1.00 10.53 ? 58  ARG B O     1 
ATOM   1319 C CB    . ARG B 1 58  ? 32.608  7.903   13.253  1.00 27.03 ? 58  ARG B CB    1 
ATOM   1320 C CG    . ARG B 1 58  ? 31.810  6.625   13.421  1.00 33.17 ? 58  ARG B CG    1 
ATOM   1321 C CD    . ARG B 1 58  ? 32.238  5.888   14.676  1.00 41.06 ? 58  ARG B CD    1 
ATOM   1322 N NE    . ARG B 1 58  ? 31.855  6.601   15.892  1.00 39.66 ? 58  ARG B NE    1 
ATOM   1323 C CZ    . ARG B 1 58  ? 30.712  6.399   16.537  1.00 32.66 ? 58  ARG B CZ    1 
ATOM   1324 N NH1   . ARG B 1 58  ? 29.847  5.508   16.076  1.00 28.57 ? 58  ARG B NH1   1 
ATOM   1325 N NH2   . ARG B 1 58  ? 30.435  7.083   17.642  1.00 33.56 ? 58  ARG B NH2   1 
ATOM   1326 N N     . TYR B 1 59  ? 30.144  8.255   11.241  1.00 11.53 ? 59  TYR B N     1 
ATOM   1327 C CA    . TYR B 1 59  ? 28.822  8.705   10.830  1.00 12.87 ? 59  TYR B CA    1 
ATOM   1328 C C     . TYR B 1 59  ? 27.754  7.756   11.353  1.00 16.55 ? 59  TYR B C     1 
ATOM   1329 O O     . TYR B 1 59  ? 27.992  6.556   11.516  1.00 15.04 ? 59  TYR B O     1 
ATOM   1330 C CB    . TYR B 1 59  ? 28.693  8.767   9.306   1.00 16.24 ? 59  TYR B CB    1 
ATOM   1331 C CG    . TYR B 1 59  ? 29.772  9.565   8.626   1.00 12.60 ? 59  TYR B CG    1 
ATOM   1332 C CD1   . TYR B 1 59  ? 29.635  10.933  8.416   1.00 11.30 ? 59  TYR B CD1   1 
ATOM   1333 C CD2   . TYR B 1 59  ? 30.928  8.947   8.185   1.00 14.36 ? 59  TYR B CD2   1 
ATOM   1334 C CE1   . TYR B 1 59  ? 30.628  11.655  7.788   1.00 11.41 ? 59  TYR B CE1   1 
ATOM   1335 C CE2   . TYR B 1 59  ? 31.921  9.660   7.553   1.00 14.70 ? 59  TYR B CE2   1 
ATOM   1336 C CZ    . TYR B 1 59  ? 31.775  11.013  7.360   1.00 13.49 ? 59  TYR B CZ    1 
ATOM   1337 O OH    . TYR B 1 59  ? 32.783  11.721  6.721   1.00 13.70 ? 59  TYR B OH    1 
ATOM   1338 N N     . ALA B 1 60  ? 26.572  8.306   11.614  1.00 13.25 ? 60  ALA B N     1 
ATOM   1339 C CA    . ALA B 1 60  ? 25.420  7.467   11.937  1.00 19.50 ? 60  ALA B CA    1 
ATOM   1340 C C     . ALA B 1 60  ? 25.031  6.616   10.728  1.00 18.86 ? 60  ALA B C     1 
ATOM   1341 O O     . ALA B 1 60  ? 25.174  7.034   9.576   1.00 13.83 ? 60  ALA B O     1 
ATOM   1342 C CB    . ALA B 1 60  ? 24.235  8.336   12.372  1.00 24.59 ? 60  ALA B CB    1 
ATOM   1343 N N     . SER B 1 61  ? 24.517  5.407   10.993  1.00 14.54 ? 61  SER B N     1 
ATOM   1344 C CA    . SER B 1 61  ? 24.242  4.488   9.890   1.00 17.92 ? 61  SER B CA    1 
ATOM   1345 C C     . SER B 1 61  ? 23.169  5.032   8.949   1.00 16.74 ? 61  SER B C     1 
ATOM   1346 O O     . SER B 1 61  ? 23.208  4.754   7.745   1.00 19.38 ? 61  SER B O     1 
ATOM   1347 C CB    . SER B 1 61  ? 23.852  3.107   10.429  1.00 25.38 ? 61  SER B CB    1 
ATOM   1348 O OG    . SER B 1 61  ? 22.662  3.167   11.187  1.00 29.23 ? 61  SER B OG    1 
ATOM   1349 N N     . SER B 1 62  ? 22.242  5.850   9.459   1.00 18.57 ? 62  SER B N     1 
ATOM   1350 C CA    . SER B 1 62  ? 21.187  6.400   8.609   1.00 23.91 ? 62  SER B CA    1 
ATOM   1351 C C     . SER B 1 62  ? 21.706  7.406   7.582   1.00 17.58 ? 62  SER B C     1 
ATOM   1352 O O     . SER B 1 62  ? 21.008  7.673   6.593   1.00 13.14 ? 62  SER B O     1 
ATOM   1353 C CB    . SER B 1 62  ? 20.110  7.064   9.468   1.00 26.45 ? 62  SER B CB    1 
ATOM   1354 O OG    . SER B 1 62  ? 20.651  8.135   10.224  1.00 27.58 ? 62  SER B OG    1 
ATOM   1355 N N     . VAL B 1 63  ? 22.911  7.947   7.770   1.00 14.74 ? 63  VAL B N     1 
ATOM   1356 C CA    . VAL B 1 63  ? 23.481  8.931   6.852   1.00 18.14 ? 63  VAL B CA    1 
ATOM   1357 C C     . VAL B 1 63  ? 24.769  8.445   6.196   1.00 17.91 ? 63  VAL B C     1 
ATOM   1358 O O     . VAL B 1 63  ? 25.326  9.157   5.352   1.00 14.16 ? 63  VAL B O     1 
ATOM   1359 C CB    . VAL B 1 63  ? 23.716  10.292  7.542   1.00 12.77 ? 63  VAL B CB    1 
ATOM   1360 C CG1   . VAL B 1 63  ? 22.457  10.747  8.299   1.00 16.85 ? 63  VAL B CG1   1 
ATOM   1361 C CG2   . VAL B 1 63  ? 24.931  10.245  8.455   1.00 13.25 ? 63  VAL B CG2   1 
ATOM   1362 N N     . GLU B 1 64  ? 25.267  7.266   6.566   1.00 14.41 ? 64  GLU B N     1 
ATOM   1363 C CA    . GLU B 1 64  ? 26.518  6.775   6.003   1.00 17.63 ? 64  GLU B CA    1 
ATOM   1364 C C     . GLU B 1 64  ? 26.401  6.657   4.490   1.00 19.63 ? 64  GLU B C     1 
ATOM   1365 O O     . GLU B 1 64  ? 25.374  6.227   3.961   1.00 24.76 ? 64  GLU B O     1 
ATOM   1366 C CB    . GLU B 1 64  ? 26.876  5.414   6.606   1.00 24.69 ? 64  GLU B CB    1 
ATOM   1367 N N     . GLY B 1 65  ? 27.470  7.033   3.791   1.00 26.07 ? 65  GLY B N     1 
ATOM   1368 C CA    . GLY B 1 65  ? 27.483  7.046   2.344   1.00 25.97 ? 65  GLY B CA    1 
ATOM   1369 C C     . GLY B 1 65  ? 26.859  8.267   1.704   1.00 27.94 ? 65  GLY B C     1 
ATOM   1370 O O     . GLY B 1 65  ? 27.123  8.532   0.524   1.00 26.47 ? 65  GLY B O     1 
ATOM   1371 N N     . ARG B 1 66  ? 26.059  9.035   2.446   1.00 16.30 ? 66  ARG B N     1 
ATOM   1372 C CA    . ARG B 1 66  ? 25.441  10.255  1.937   1.00 12.98 ? 66  ARG B CA    1 
ATOM   1373 C C     . ARG B 1 66  ? 26.041  11.520  2.520   1.00 15.03 ? 66  ARG B C     1 
ATOM   1374 O O     . ARG B 1 66  ? 26.103  12.537  1.828   1.00 10.57 ? 66  ARG B O     1 
ATOM   1375 C CB    . ARG B 1 66  ? 23.930  10.249  2.223   1.00 15.52 ? 66  ARG B CB    1 
ATOM   1376 C CG    . ARG B 1 66  ? 23.197  9.097   1.551   1.00 16.98 ? 66  ARG B CG    1 
ATOM   1377 C CD    . ARG B 1 66  ? 21.685  9.184   1.744   1.00 15.06 ? 66  ARG B CD    1 
ATOM   1378 N NE    . ARG B 1 66  ? 21.301  9.197   3.152   1.00 20.78 ? 66  ARG B NE    1 
ATOM   1379 C CZ    . ARG B 1 66  ? 20.675  10.207  3.749   1.00 16.01 ? 66  ARG B CZ    1 
ATOM   1380 N NH1   . ARG B 1 66  ? 20.362  10.130  5.038   1.00 15.19 ? 66  ARG B NH1   1 
ATOM   1381 N NH2   . ARG B 1 66  ? 20.362  11.295  3.059   1.00 19.31 ? 66  ARG B NH2   1 
ATOM   1382 N N     . PHE B 1 67  ? 26.462  11.481  3.779   1.00 10.77 ? 67  PHE B N     1 
ATOM   1383 C CA    . PHE B 1 67  ? 27.069  12.620  4.453   1.00 11.92 ? 67  PHE B CA    1 
ATOM   1384 C C     . PHE B 1 67  ? 28.568  12.387  4.542   1.00 10.58 ? 67  PHE B C     1 
ATOM   1385 O O     . PHE B 1 67  ? 29.010  11.281  4.861   1.00 13.72 ? 67  PHE B O     1 
ATOM   1386 C CB    . PHE B 1 67  ? 26.519  12.813  5.871   1.00 8.97  ? 67  PHE B CB    1 
ATOM   1387 C CG    . PHE B 1 67  ? 25.068  13.240  5.937   1.00 14.06 ? 67  PHE B CG    1 
ATOM   1388 C CD1   . PHE B 1 67  ? 24.240  13.168  4.823   1.00 13.65 ? 67  PHE B CD1   1 
ATOM   1389 C CD2   . PHE B 1 67  ? 24.548  13.741  7.132   1.00 12.39 ? 67  PHE B CD2   1 
ATOM   1390 C CE1   . PHE B 1 67  ? 22.898  13.561  4.904   1.00 13.31 ? 67  PHE B CE1   1 
ATOM   1391 C CE2   . PHE B 1 67  ? 23.213  14.134  7.231   1.00 12.28 ? 67  PHE B CE2   1 
ATOM   1392 C CZ    . PHE B 1 67  ? 22.389  14.047  6.104   1.00 12.82 ? 67  PHE B CZ    1 
ATOM   1393 N N     . THR B 1 68  ? 29.346  13.436  4.281   1.00 10.23 ? 68  THR B N     1 
ATOM   1394 C CA    A THR B 1 68  ? 30.803  13.372  4.318   0.66 16.61 ? 68  THR B CA    1 
ATOM   1395 C CA    B THR B 1 68  ? 30.792  13.340  4.382   0.34 16.06 ? 68  THR B CA    1 
ATOM   1396 C C     . THR B 1 68  ? 31.332  14.579  5.077   1.00 17.99 ? 68  THR B C     1 
ATOM   1397 O O     . THR B 1 68  ? 30.863  15.700  4.851   1.00 12.41 ? 68  THR B O     1 
ATOM   1398 C CB    A THR B 1 68  ? 31.412  13.371  2.905   0.66 15.00 ? 68  THR B CB    1 
ATOM   1399 C CB    B THR B 1 68  ? 31.455  13.161  3.009   0.34 15.59 ? 68  THR B CB    1 
ATOM   1400 O OG1   A THR B 1 68  ? 30.922  12.255  2.153   0.66 18.91 ? 68  THR B OG1   1 
ATOM   1401 O OG1   B THR B 1 68  ? 31.012  14.190  2.118   0.34 16.72 ? 68  THR B OG1   1 
ATOM   1402 C CG2   A THR B 1 68  ? 32.929  13.310  2.977   0.66 12.51 ? 68  THR B CG2   1 
ATOM   1403 C CG2   B THR B 1 68  ? 31.102  11.801  2.420   0.34 18.86 ? 68  THR B CG2   1 
ATOM   1404 N N     . LEU B 1 69  ? 32.307  14.350  5.950   1.00 11.10 ? 69  LEU B N     1 
ATOM   1405 C CA    . LEU B 1 69  ? 32.975  15.404  6.698   1.00 12.68 ? 69  LEU B CA    1 
ATOM   1406 C C     . LEU B 1 69  ? 34.304  15.742  6.047   1.00 14.30 ? 69  LEU B C     1 
ATOM   1407 O O     . LEU B 1 69  ? 35.015  14.857  5.558   1.00 15.56 ? 69  LEU B O     1 
ATOM   1408 C CB    . LEU B 1 69  ? 33.227  14.976  8.145   1.00 14.38 ? 69  LEU B CB    1 
ATOM   1409 C CG    . LEU B 1 69  ? 32.030  15.057  9.075   1.00 12.54 ? 69  LEU B CG    1 
ATOM   1410 C CD1   . LEU B 1 69  ? 32.238  14.159  10.297  1.00 16.80 ? 69  LEU B CD1   1 
ATOM   1411 C CD2   . LEU B 1 69  ? 31.825  16.518  9.476   1.00 12.37 ? 69  LEU B CD2   1 
ATOM   1412 N N     . SER B 1 70  ? 34.648  17.024  6.065   1.00 14.82 ? 70  SER B N     1 
ATOM   1413 C CA    . SER B 1 70  ? 35.989  17.449  5.685   1.00 14.00 ? 70  SER B CA    1 
ATOM   1414 C C     . SER B 1 70  ? 36.306  18.727  6.444   1.00 14.35 ? 70  SER B C     1 
ATOM   1415 O O     . SER B 1 70  ? 35.428  19.353  7.040   1.00 16.06 ? 70  SER B O     1 
ATOM   1416 C CB    . SER B 1 70  ? 36.120  17.674  4.177   1.00 16.31 ? 70  SER B CB    1 
ATOM   1417 O OG    . SER B 1 70  ? 35.347  18.786  3.773   1.00 18.11 ? 70  SER B OG    1 
ATOM   1418 N N     . ARG B 1 71  ? 37.577  19.108  6.435   1.00 15.63 ? 71  ARG B N     1 
ATOM   1419 C CA    . ARG B 1 71  ? 38.006  20.310  7.136   1.00 24.95 ? 71  ARG B CA    1 
ATOM   1420 C C     . ARG B 1 71  ? 38.912  21.104  6.210   1.00 25.87 ? 71  ARG B C     1 
ATOM   1421 O O     . ARG B 1 71  ? 39.679  20.533  5.428   1.00 25.93 ? 71  ARG B O     1 
ATOM   1422 C CB    . ARG B 1 71  ? 38.692  20.002  8.479   1.00 26.62 ? 71  ARG B CB    1 
ATOM   1423 C CG    . ARG B 1 71  ? 39.866  19.074  8.410   1.00 31.28 ? 71  ARG B CG    1 
ATOM   1424 C CD    . ARG B 1 71  ? 40.310  18.676  9.822   1.00 39.39 ? 71  ARG B CD    1 
ATOM   1425 N NE    . ARG B 1 71  ? 40.306  19.805  10.753  1.00 38.42 ? 71  ARG B NE    1 
ATOM   1426 C CZ    . ARG B 1 71  ? 39.679  19.813  11.930  1.00 41.23 ? 71  ARG B CZ    1 
ATOM   1427 N NH1   . ARG B 1 71  ? 39.012  18.744  12.346  1.00 33.47 ? 71  ARG B NH1   1 
ATOM   1428 N NH2   . ARG B 1 71  ? 39.735  20.891  12.705  1.00 47.48 ? 71  ARG B NH2   1 
ATOM   1429 N N     . ASP B 1 72  ? 38.810  22.422  6.300   1.00 22.55 ? 72  ASP B N     1 
ATOM   1430 C CA    . ASP B 1 72  ? 39.514  23.310  5.386   1.00 35.79 ? 72  ASP B CA    1 
ATOM   1431 C C     . ASP B 1 72  ? 40.974  23.425  5.799   1.00 53.06 ? 72  ASP B C     1 
ATOM   1432 O O     . ASP B 1 72  ? 41.282  23.864  6.915   1.00 53.25 ? 72  ASP B O     1 
ATOM   1433 C CB    . ASP B 1 72  ? 38.847  24.680  5.353   1.00 32.16 ? 72  ASP B CB    1 
ATOM   1434 C CG    . ASP B 1 72  ? 39.392  25.561  4.254   1.00 33.50 ? 72  ASP B CG    1 
ATOM   1435 O OD1   . ASP B 1 72  ? 40.593  25.925  4.287   1.00 26.47 ? 72  ASP B OD1   1 
ATOM   1436 O OD2   . ASP B 1 72  ? 38.606  25.861  3.333   1.00 40.41 ? 72  ASP B OD2   1 
ATOM   1437 N N     . ASN B 1 73  ? 41.868  22.998  4.902   1.00 64.55 ? 73  ASN B N     1 
ATOM   1438 C CA    . ASN B 1 73  ? 43.285  22.938  5.233   1.00 74.90 ? 73  ASN B CA    1 
ATOM   1439 C C     . ASN B 1 73  ? 43.845  24.314  5.577   1.00 80.54 ? 73  ASN B C     1 
ATOM   1440 O O     . ASN B 1 73  ? 44.732  24.420  6.429   1.00 86.68 ? 73  ASN B O     1 
ATOM   1441 C CB    . ASN B 1 73  ? 44.062  22.320  4.068   1.00 75.60 ? 73  ASN B CB    1 
ATOM   1442 N N     . ALA B 1 74  ? 43.361  25.374  4.926   1.00 77.62 ? 74  ALA B N     1 
ATOM   1443 C CA    . ALA B 1 74  ? 43.899  26.700  5.210   1.00 75.76 ? 74  ALA B CA    1 
ATOM   1444 C C     . ALA B 1 74  ? 43.375  27.299  6.517   1.00 71.24 ? 74  ALA B C     1 
ATOM   1445 O O     . ALA B 1 74  ? 44.129  27.986  7.218   1.00 77.08 ? 74  ALA B O     1 
ATOM   1446 C CB    . ALA B 1 74  ? 43.586  27.639  4.045   1.00 75.29 ? 74  ALA B CB    1 
ATOM   1447 N N     . LYS B 1 75  ? 42.113  27.053  6.873   1.00 58.83 ? 75  LYS B N     1 
ATOM   1448 C CA    . LYS B 1 75  ? 41.575  27.614  8.107   1.00 51.43 ? 75  LYS B CA    1 
ATOM   1449 C C     . LYS B 1 75  ? 41.133  26.543  9.095   1.00 59.55 ? 75  LYS B C     1 
ATOM   1450 O O     . LYS B 1 75  ? 41.544  25.380  9.002   1.00 67.78 ? 75  LYS B O     1 
ATOM   1451 C CB    . LYS B 1 75  ? 40.418  28.567  7.791   1.00 46.48 ? 75  LYS B CB    1 
ATOM   1452 C CG    . LYS B 1 75  ? 39.428  28.035  6.782   1.00 45.11 ? 75  LYS B CG    1 
ATOM   1453 C CD    . LYS B 1 75  ? 38.592  29.152  6.186   1.00 42.16 ? 75  LYS B CD    1 
ATOM   1454 C CE    . LYS B 1 75  ? 37.707  28.627  5.067   1.00 38.48 ? 75  LYS B CE    1 
ATOM   1455 N NZ    . LYS B 1 75  ? 36.862  29.678  4.440   1.00 41.38 ? 75  LYS B NZ    1 
ATOM   1456 N N     . ASN B 1 76  ? 40.276  26.943  10.035  1.00 51.23 ? 76  ASN B N     1 
ATOM   1457 C CA    . ASN B 1 76  ? 39.793  26.077  11.101  1.00 44.20 ? 76  ASN B CA    1 
ATOM   1458 C C     . ASN B 1 76  ? 38.296  25.858  10.944  1.00 37.60 ? 76  ASN B C     1 
ATOM   1459 O O     . ASN B 1 76  ? 37.520  26.201  11.844  1.00 39.99 ? 76  ASN B O     1 
ATOM   1460 C CB    . ASN B 1 76  ? 40.110  26.674  12.475  1.00 45.01 ? 76  ASN B CB    1 
ATOM   1461 C CG    . ASN B 1 76  ? 40.053  25.644  13.584  1.00 47.51 ? 76  ASN B CG    1 
ATOM   1462 O OD1   . ASN B 1 76  ? 40.038  24.439  13.327  1.00 49.28 ? 76  ASN B OD1   1 
ATOM   1463 N ND2   . ASN B 1 76  ? 40.041  26.110  14.828  1.00 53.97 ? 76  ASN B ND2   1 
ATOM   1464 N N     . THR B 1 77  ? 37.882  25.308  9.797   1.00 23.08 ? 77  THR B N     1 
ATOM   1465 C CA    . THR B 1 77  ? 36.473  25.126  9.472   1.00 25.69 ? 77  THR B CA    1 
ATOM   1466 C C     . THR B 1 77  ? 36.220  23.692  9.035   1.00 19.29 ? 77  THR B C     1 
ATOM   1467 O O     . THR B 1 77  ? 36.989  23.122  8.256   1.00 24.11 ? 77  THR B O     1 
ATOM   1468 C CB    . THR B 1 77  ? 36.041  26.070  8.350   1.00 29.18 ? 77  THR B CB    1 
ATOM   1469 O OG1   . THR B 1 77  ? 36.197  27.428  8.775   1.00 26.94 ? 77  THR B OG1   1 
ATOM   1470 C CG2   . THR B 1 77  ? 34.597  25.807  7.963   1.00 25.86 ? 77  THR B CG2   1 
ATOM   1471 N N     . VAL B 1 78  ? 35.120  23.120  9.515   1.00 16.79 ? 78  VAL B N     1 
ATOM   1472 C CA    . VAL B 1 78  ? 34.725  21.764  9.159   1.00 14.87 ? 78  VAL B CA    1 
ATOM   1473 C C     . VAL B 1 78  ? 33.425  21.813  8.369   1.00 16.99 ? 78  VAL B C     1 
ATOM   1474 O O     . VAL B 1 78  ? 32.520  22.594  8.686   1.00 14.06 ? 78  VAL B O     1 
ATOM   1475 C CB    . VAL B 1 78  ? 34.574  20.887  10.416  1.00 20.11 ? 78  VAL B CB    1 
ATOM   1476 C CG1   . VAL B 1 78  ? 33.888  19.569  10.075  1.00 20.95 ? 78  VAL B CG1   1 
ATOM   1477 C CG2   . VAL B 1 78  ? 35.936  20.654  11.058  1.00 23.14 ? 78  VAL B CG2   1 
ATOM   1478 N N     . TYR B 1 79  ? 33.322  20.960  7.351   1.00 12.43 ? 79  TYR B N     1 
ATOM   1479 C CA    . TYR B 1 79  ? 32.156  20.934  6.482   1.00 11.82 ? 79  TYR B CA    1 
ATOM   1480 C C     . TYR B 1 79  ? 31.466  19.586  6.601   1.00 10.98 ? 79  TYR B C     1 
ATOM   1481 O O     . TYR B 1 79  ? 32.117  18.545  6.603   1.00 13.13 ? 79  TYR B O     1 
ATOM   1482 C CB    . TYR B 1 79  ? 32.522  21.176  5.012   1.00 12.54 ? 79  TYR B CB    1 
ATOM   1483 C CG    . TYR B 1 79  ? 33.343  22.426  4.765   1.00 16.03 ? 79  TYR B CG    1 
ATOM   1484 C CD1   . TYR B 1 79  ? 32.741  23.676  4.688   1.00 17.69 ? 79  TYR B CD1   1 
ATOM   1485 C CD2   . TYR B 1 79  ? 34.723  22.348  4.591   1.00 22.45 ? 79  TYR B CD2   1 
ATOM   1486 C CE1   . TYR B 1 79  ? 33.500  24.820  4.450   1.00 16.10 ? 79  TYR B CE1   1 
ATOM   1487 C CE2   . TYR B 1 79  ? 35.480  23.479  4.355   1.00 23.99 ? 79  TYR B CE2   1 
ATOM   1488 C CZ    . TYR B 1 79  ? 34.866  24.709  4.291   1.00 23.02 ? 79  TYR B CZ    1 
ATOM   1489 O OH    . TYR B 1 79  ? 35.626  25.834  4.060   1.00 27.02 ? 79  TYR B OH    1 
ATOM   1490 N N     . LEU B 1 80  ? 30.152  19.621  6.675   1.00 10.84 ? 80  LEU B N     1 
ATOM   1491 C CA    . LEU B 1 80  ? 29.318  18.428  6.617   1.00 13.26 ? 80  LEU B CA    1 
ATOM   1492 C C     . LEU B 1 80  ? 28.613  18.481  5.264   1.00 15.68 ? 80  LEU B C     1 
ATOM   1493 O O     . LEU B 1 80  ? 27.661  19.245  5.082   1.00 9.94  ? 80  LEU B O     1 
ATOM   1494 C CB    . LEU B 1 80  ? 28.327  18.393  7.781   1.00 8.99  ? 80  LEU B CB    1 
ATOM   1495 C CG    . LEU B 1 80  ? 27.376  17.201  7.753   1.00 10.44 ? 80  LEU B CG    1 
ATOM   1496 C CD1   . LEU B 1 80  ? 28.177  15.899  7.801   1.00 14.09 ? 80  LEU B CD1   1 
ATOM   1497 C CD2   . LEU B 1 80  ? 26.402  17.274  8.899   1.00 10.23 ? 80  LEU B CD2   1 
ATOM   1498 N N     . GLN B 1 81  ? 29.114  17.702  4.309   1.00 10.17 ? 81  GLN B N     1 
ATOM   1499 C CA    . GLN B 1 81  ? 28.504  17.612  2.988   1.00 10.47 ? 81  GLN B CA    1 
ATOM   1500 C C     . GLN B 1 81  ? 27.332  16.640  3.061   1.00 12.73 ? 81  GLN B C     1 
ATOM   1501 O O     . GLN B 1 81  ? 27.520  15.464  3.387   1.00 13.38 ? 81  GLN B O     1 
ATOM   1502 C CB    . GLN B 1 81  ? 29.535  17.142  1.958   1.00 11.28 ? 81  GLN B CB    1 
ATOM   1503 C CG    . GLN B 1 81  ? 29.021  17.156  0.501   1.00 11.86 ? 81  GLN B CG    1 
ATOM   1504 C CD    . GLN B 1 81  ? 28.804  18.566  0.013   1.00 16.37 ? 81  GLN B CD    1 
ATOM   1505 O OE1   . GLN B 1 81  ? 29.681  19.413  0.162   1.00 13.29 ? 81  GLN B OE1   1 
ATOM   1506 N NE2   . GLN B 1 81  ? 27.621  18.843  -0.532  1.00 13.24 ? 81  GLN B NE2   1 
ATOM   1507 N N     . MET B 1 82  ? 26.131  17.121  2.751   1.00 10.68 ? 82  MET B N     1 
ATOM   1508 C CA    . MET B 1 82  ? 24.902  16.340  2.925   1.00 13.23 ? 82  MET B CA    1 
ATOM   1509 C C     . MET B 1 82  ? 24.265  16.129  1.557   1.00 11.80 ? 82  MET B C     1 
ATOM   1510 O O     . MET B 1 82  ? 23.557  17.008  1.058   1.00 11.06 ? 82  MET B O     1 
ATOM   1511 C CB    . MET B 1 82  ? 23.946  17.053  3.883   1.00 13.24 ? 82  MET B CB    1 
ATOM   1512 C CG    . MET B 1 82  ? 24.504  17.238  5.297   1.00 16.38 ? 82  MET B CG    1 
ATOM   1513 S SD    . MET B 1 82  ? 23.588  18.463  6.264   1.00 17.58 ? 82  MET B SD    1 
ATOM   1514 C CE    . MET B 1 82  ? 21.939  17.786  6.164   1.00 16.00 ? 82  MET B CE    1 
ATOM   1515 N N     . ASN B 1 83  ? 24.509  14.968  0.961   1.00 14.20 ? 83  ASN B N     1 
ATOM   1516 C CA    . ASN B 1 83  ? 24.045  14.674  -0.386  1.00 14.82 ? 83  ASN B CA    1 
ATOM   1517 C C     . ASN B 1 83  ? 22.875  13.697  -0.371  1.00 12.67 ? 83  ASN B C     1 
ATOM   1518 O O     . ASN B 1 83  ? 22.615  13.009  0.623   1.00 11.80 ? 83  ASN B O     1 
ATOM   1519 C CB    . ASN B 1 83  ? 25.190  14.127  -1.245  1.00 12.11 ? 83  ASN B CB    1 
ATOM   1520 C CG    . ASN B 1 83  ? 26.302  15.134  -1.424  1.00 12.31 ? 83  ASN B CG    1 
ATOM   1521 O OD1   . ASN B 1 83  ? 26.096  16.341  -1.253  1.00 21.00 ? 83  ASN B OD1   1 
ATOM   1522 N ND2   . ASN B 1 83  ? 27.483  14.654  -1.783  1.00 16.20 ? 83  ASN B ND2   1 
ATOM   1523 N N     . SER B 1 84  ? 22.173  13.645  -1.506  1.00 19.90 ? 84  SER B N     1 
ATOM   1524 C CA    . SER B 1 84  ? 21.063  12.716  -1.710  1.00 22.93 ? 84  SER B CA    1 
ATOM   1525 C C     . SER B 1 84  ? 20.080  12.778  -0.544  1.00 19.25 ? 84  SER B C     1 
ATOM   1526 O O     . SER B 1 84  ? 19.714  11.765  0.055   1.00 14.83 ? 84  SER B O     1 
ATOM   1527 C CB    . SER B 1 84  ? 21.584  11.296  -1.921  1.00 34.41 ? 84  SER B CB    1 
ATOM   1528 O OG    . SER B 1 84  ? 22.449  11.260  -3.039  1.00 38.88 ? 84  SER B OG    1 
ATOM   1529 N N     . LEU B 1 85  ? 19.649  13.995  -0.229  1.00 14.24 ? 85  LEU B N     1 
ATOM   1530 C CA    . LEU B 1 85  ? 18.855  14.229  0.968   1.00 15.27 ? 85  LEU B CA    1 
ATOM   1531 C C     . LEU B 1 85  ? 17.473  13.587  0.850   1.00 13.14 ? 85  LEU B C     1 
ATOM   1532 O O     . LEU B 1 85  ? 16.906  13.465  -0.239  1.00 14.16 ? 85  LEU B O     1 
ATOM   1533 C CB    . LEU B 1 85  ? 18.725  15.732  1.227   1.00 11.24 ? 85  LEU B CB    1 
ATOM   1534 C CG    . LEU B 1 85  ? 20.021  16.392  1.705   1.00 11.71 ? 85  LEU B CG    1 
ATOM   1535 C CD1   . LEU B 1 85  ? 19.930  17.896  1.604   1.00 18.85 ? 85  LEU B CD1   1 
ATOM   1536 C CD2   . LEU B 1 85  ? 20.326  15.988  3.127   1.00 17.42 ? 85  LEU B CD2   1 
ATOM   1537 N N     . LYS B 1 86  ? 16.934  13.189  2.002   1.00 12.29 ? 86  LYS B N     1 
ATOM   1538 C CA    . LYS B 1 86  ? 15.623  12.578  2.194   1.00 16.59 ? 86  LYS B CA    1 
ATOM   1539 C C     . LYS B 1 86  ? 14.806  13.450  3.136   1.00 14.00 ? 86  LYS B C     1 
ATOM   1540 O O     . LYS B 1 86  ? 15.377  14.153  3.971   1.00 11.48 ? 86  LYS B O     1 
ATOM   1541 C CB    . LYS B 1 86  ? 15.709  11.173  2.809   1.00 15.69 ? 86  LYS B CB    1 
ATOM   1542 C CG    . LYS B 1 86  ? 16.602  10.164  2.136   1.00 21.74 ? 86  LYS B CG    1 
ATOM   1543 C CD    . LYS B 1 86  ? 16.713  8.955   3.069   1.00 25.80 ? 86  LYS B CD    1 
ATOM   1544 C CE    . LYS B 1 86  ? 17.940  8.105   2.800   1.00 33.36 ? 86  LYS B CE    1 
ATOM   1545 N NZ    . LYS B 1 86  ? 17.648  6.990   1.861   1.00 37.41 ? 86  LYS B NZ    1 
ATOM   1546 N N     . PRO B 1 87  ? 13.476  13.417  3.048   1.00 16.28 ? 87  PRO B N     1 
ATOM   1547 C CA    . PRO B 1 87  ? 12.681  14.192  4.019   1.00 16.34 ? 87  PRO B CA    1 
ATOM   1548 C C     . PRO B 1 87  ? 12.996  13.840  5.463   1.00 18.46 ? 87  PRO B C     1 
ATOM   1549 O O     . PRO B 1 87  ? 12.887  14.707  6.342   1.00 16.50 ? 87  PRO B O     1 
ATOM   1550 C CB    . PRO B 1 87  ? 11.232  13.855  3.636   1.00 21.93 ? 87  PRO B CB    1 
ATOM   1551 C CG    . PRO B 1 87  ? 11.319  13.502  2.165   1.00 25.42 ? 87  PRO B CG    1 
ATOM   1552 C CD    . PRO B 1 87  ? 12.640  12.792  2.007   1.00 21.58 ? 87  PRO B CD    1 
ATOM   1553 N N     . GLU B 1 88  ? 13.412  12.599  5.739   1.00 14.36 ? 88  GLU B N     1 
ATOM   1554 C CA    . GLU B 1 88  ? 13.829  12.236  7.091   1.00 16.93 ? 88  GLU B CA    1 
ATOM   1555 C C     . GLU B 1 88  ? 15.083  12.973  7.543   1.00 15.15 ? 88  GLU B C     1 
ATOM   1556 O O     . GLU B 1 88  ? 15.416  12.914  8.730   1.00 16.65 ? 88  GLU B O     1 
ATOM   1557 C CB    . GLU B 1 88  ? 14.045  10.721  7.187   1.00 27.49 ? 88  GLU B CB    1 
ATOM   1558 C CG    . GLU B 1 88  ? 15.215  10.198  6.371   1.00 46.31 ? 88  GLU B CG    1 
ATOM   1559 C CD    . GLU B 1 88  ? 15.314  8.673   6.385   1.00 61.51 ? 88  GLU B CD    1 
ATOM   1560 O OE1   . GLU B 1 88  ? 14.306  8.003   6.063   1.00 66.85 ? 88  GLU B OE1   1 
ATOM   1561 O OE2   . GLU B 1 88  ? 16.400  8.147   6.722   1.00 63.98 ? 88  GLU B OE2   1 
ATOM   1562 N N     . ASP B 1 89  ? 15.779  13.663  6.637   1.00 10.55 ? 89  ASP B N     1 
ATOM   1563 C CA    . ASP B 1 89  ? 16.924  14.479  7.027   1.00 9.27  ? 89  ASP B CA    1 
ATOM   1564 C C     . ASP B 1 89  ? 16.519  15.866  7.501   1.00 9.16  ? 89  ASP B C     1 
ATOM   1565 O O     . ASP B 1 89  ? 17.377  16.626  7.964   1.00 12.28 ? 89  ASP B O     1 
ATOM   1566 C CB    . ASP B 1 89  ? 17.902  14.608  5.858   1.00 13.40 ? 89  ASP B CB    1 
ATOM   1567 C CG    . ASP B 1 89  ? 18.544  13.279  5.477   1.00 16.20 ? 89  ASP B CG    1 
ATOM   1568 O OD1   . ASP B 1 89  ? 18.924  12.514  6.389   1.00 11.53 ? 89  ASP B OD1   1 
ATOM   1569 O OD2   . ASP B 1 89  ? 18.670  13.005  4.262   1.00 15.95 ? 89  ASP B OD2   1 
ATOM   1570 N N     . THR B 1 90  ? 15.241  16.217  7.400   1.00 11.99 ? 90  THR B N     1 
ATOM   1571 C CA    . THR B 1 90  ? 14.803  17.513  7.891   1.00 9.83  ? 90  THR B CA    1 
ATOM   1572 C C     . THR B 1 90  ? 15.048  17.590  9.393   1.00 10.90 ? 90  THR B C     1 
ATOM   1573 O O     . THR B 1 90  ? 14.616  16.710  10.147  1.00 9.38  ? 90  THR B O     1 
ATOM   1574 C CB    . THR B 1 90  ? 13.324  17.730  7.559   1.00 10.77 ? 90  THR B CB    1 
ATOM   1575 O OG1   . THR B 1 90  ? 13.169  17.781  6.133   1.00 12.34 ? 90  THR B OG1   1 
ATOM   1576 C CG2   . THR B 1 90  ? 12.821  19.049  8.152   1.00 10.99 ? 90  THR B CG2   1 
ATOM   1577 N N     . ALA B 1 91  ? 15.770  18.625  9.826   1.00 8.96  ? 91  ALA B N     1 
ATOM   1578 C CA    . ALA B 1 91  ? 16.130  18.743  11.237  1.00 8.61  ? 91  ALA B CA    1 
ATOM   1579 C C     . ALA B 1 91  ? 16.835  20.072  11.484  1.00 8.52  ? 91  ALA B C     1 
ATOM   1580 O O     . ALA B 1 91  ? 17.298  20.732  10.553  1.00 10.75 ? 91  ALA B O     1 
ATOM   1581 C CB    . ALA B 1 91  ? 17.043  17.592  11.665  1.00 8.16  ? 91  ALA B CB    1 
ATOM   1582 N N     . VAL B 1 92  ? 16.931  20.435  12.758  1.00 8.78  ? 92  VAL B N     1 
ATOM   1583 C CA    . VAL B 1 92  ? 17.874  21.452  13.206  1.00 10.69 ? 92  VAL B CA    1 
ATOM   1584 C C     . VAL B 1 92  ? 19.214  20.761  13.428  1.00 7.99  ? 92  VAL B C     1 
ATOM   1585 O O     . VAL B 1 92  ? 19.303  19.820  14.218  1.00 12.01 ? 92  VAL B O     1 
ATOM   1586 C CB    . VAL B 1 92  ? 17.396  22.128  14.502  1.00 13.87 ? 92  VAL B CB    1 
ATOM   1587 C CG1   . VAL B 1 92  ? 18.422  23.152  14.968  1.00 12.08 ? 92  VAL B CG1   1 
ATOM   1588 C CG2   . VAL B 1 92  ? 16.038  22.773  14.316  1.00 11.55 ? 92  VAL B CG2   1 
ATOM   1589 N N     . TYR B 1 93  ? 20.257  21.242  12.754  1.00 7.97  ? 93  TYR B N     1 
ATOM   1590 C CA    . TYR B 1 93  ? 21.597  20.673  12.830  1.00 7.76  ? 93  TYR B CA    1 
ATOM   1591 C C     . TYR B 1 93  ? 22.506  21.554  13.680  1.00 8.05  ? 93  TYR B C     1 
ATOM   1592 O O     . TYR B 1 93  ? 22.553  22.772  13.484  1.00 11.85 ? 93  TYR B O     1 
ATOM   1593 C CB    . TYR B 1 93  ? 22.192  20.516  11.427  1.00 10.73 ? 93  TYR B CB    1 
ATOM   1594 C CG    . TYR B 1 93  ? 21.587  19.373  10.654  1.00 7.59  ? 93  TYR B CG    1 
ATOM   1595 C CD1   . TYR B 1 93  ? 20.325  19.489  10.060  1.00 10.32 ? 93  TYR B CD1   1 
ATOM   1596 C CD2   . TYR B 1 93  ? 22.267  18.178  10.514  1.00 9.33  ? 93  TYR B CD2   1 
ATOM   1597 C CE1   . TYR B 1 93  ? 19.769  18.434  9.358   1.00 7.83  ? 93  TYR B CE1   1 
ATOM   1598 C CE2   . TYR B 1 93  ? 21.721  17.114  9.812   1.00 11.89 ? 93  TYR B CE2   1 
ATOM   1599 C CZ    . TYR B 1 93  ? 20.472  17.242  9.242   1.00 7.65  ? 93  TYR B CZ    1 
ATOM   1600 O OH    . TYR B 1 93  ? 19.932  16.173  8.553   1.00 7.86  ? 93  TYR B OH    1 
ATOM   1601 N N     . TYR B 1 94  ? 23.244  20.928  14.598  1.00 8.02  ? 94  TYR B N     1 
ATOM   1602 C CA    . TYR B 1 94  ? 24.192  21.595  15.485  1.00 8.48  ? 94  TYR B CA    1 
ATOM   1603 C C     . TYR B 1 94  ? 25.597  21.066  15.246  1.00 8.61  ? 94  TYR B C     1 
ATOM   1604 O O     . TYR B 1 94  ? 25.779  19.901  14.908  1.00 8.32  ? 94  TYR B O     1 
ATOM   1605 C CB    . TYR B 1 94  ? 23.863  21.340  16.955  1.00 8.66  ? 94  TYR B CB    1 
ATOM   1606 C CG    . TYR B 1 94  ? 22.504  21.824  17.374  1.00 10.23 ? 94  TYR B CG    1 
ATOM   1607 C CD1   . TYR B 1 94  ? 21.397  21.006  17.243  1.00 9.97  ? 94  TYR B CD1   1 
ATOM   1608 C CD2   . TYR B 1 94  ? 22.329  23.093  17.890  1.00 9.26  ? 94  TYR B CD2   1 
ATOM   1609 C CE1   . TYR B 1 94  ? 20.144  21.433  17.635  1.00 13.12 ? 94  TYR B CE1   1 
ATOM   1610 C CE2   . TYR B 1 94  ? 21.067  23.538  18.284  1.00 9.47  ? 94  TYR B CE2   1 
ATOM   1611 C CZ    . TYR B 1 94  ? 19.984  22.690  18.154  1.00 9.15  ? 94  TYR B CZ    1 
ATOM   1612 O OH    . TYR B 1 94  ? 18.723  23.105  18.526  1.00 11.94 ? 94  TYR B OH    1 
ATOM   1613 N N     . CYS B 1 95  ? 26.596  21.916  15.447  1.00 9.22  ? 95  CYS B N     1 
ATOM   1614 C CA    . CYS B 1 95  ? 27.962  21.431  15.584  1.00 9.62  ? 95  CYS B CA    1 
ATOM   1615 C C     . CYS B 1 95  ? 28.496  21.857  16.943  1.00 10.34 ? 95  CYS B C     1 
ATOM   1616 O O     . CYS B 1 95  ? 28.050  22.857  17.511  1.00 11.37 ? 95  CYS B O     1 
ATOM   1617 C CB    . CYS B 1 95  ? 28.886  21.957  14.487  1.00 20.66 ? 95  CYS B CB    1 
ATOM   1618 S SG    . CYS B 1 95  ? 28.997  23.754  14.445  1.00 20.62 ? 95  CYS B SG    1 
ATOM   1619 N N     . ASN B 1 96  ? 29.438  21.087  17.482  1.00 10.75 ? 96  ASN B N     1 
ATOM   1620 C CA    . ASN B 1 96  ? 30.141  21.545  18.672  1.00 11.72 ? 96  ASN B CA    1 
ATOM   1621 C C     . ASN B 1 96  ? 31.605  21.141  18.555  1.00 19.06 ? 96  ASN B C     1 
ATOM   1622 O O     . ASN B 1 96  ? 31.964  20.229  17.807  1.00 19.70 ? 96  ASN B O     1 
ATOM   1623 C CB    . ASN B 1 96  ? 29.486  21.045  19.984  1.00 28.72 ? 96  ASN B CB    1 
ATOM   1624 C CG    . ASN B 1 96  ? 29.811  19.597  20.322  1.00 25.06 ? 96  ASN B CG    1 
ATOM   1625 O OD1   . ASN B 1 96  ? 30.769  19.017  19.825  1.00 30.62 ? 96  ASN B OD1   1 
ATOM   1626 N ND2   . ASN B 1 96  ? 29.014  19.020  21.205  1.00 19.00 ? 96  ASN B ND2   1 
ATOM   1627 N N     . LEU B 1 97  ? 32.439  21.792  19.356  1.00 22.56 ? 97  LEU B N     1 
ATOM   1628 C CA    . LEU B 1 97  ? 33.886  21.662  19.258  1.00 20.44 ? 97  LEU B CA    1 
ATOM   1629 C C     . LEU B 1 97  ? 34.472  21.413  20.634  1.00 21.88 ? 97  LEU B C     1 
ATOM   1630 O O     . LEU B 1 97  ? 34.212  22.182  21.566  1.00 23.14 ? 97  LEU B O     1 
ATOM   1631 C CB    . LEU B 1 97  ? 34.495  22.945  18.684  1.00 18.16 ? 97  LEU B CB    1 
ATOM   1632 C CG    . LEU B 1 97  ? 36.015  23.075  18.753  1.00 23.12 ? 97  LEU B CG    1 
ATOM   1633 C CD1   . LEU B 1 97  ? 36.714  22.022  17.899  1.00 28.64 ? 97  LEU B CD1   1 
ATOM   1634 C CD2   . LEU B 1 97  ? 36.468  24.493  18.409  1.00 31.48 ? 97  LEU B CD2   1 
ATOM   1635 N N     . ARG B 1 98  ? 35.241  20.330  20.767  1.00 22.68 ? 98  ARG B N     1 
ATOM   1636 C CA    . ARG B 1 98  ? 36.026  20.089  21.971  1.00 33.28 ? 98  ARG B CA    1 
ATOM   1637 C C     . ARG B 1 98  ? 37.426  20.652  21.760  1.00 46.03 ? 98  ARG B C     1 
ATOM   1638 O O     . ARG B 1 98  ? 38.109  20.287  20.795  1.00 49.55 ? 98  ARG B O     1 
ATOM   1639 C CB    . ARG B 1 98  ? 36.086  18.597  22.293  1.00 32.46 ? 98  ARG B CB    1 
ATOM   1640 N N     . ARG B 1 99  ? 37.870  21.502  22.680  1.00 50.55 ? 99  ARG B N     1 
ATOM   1641 C CA    . ARG B 1 99  ? 39.214  22.068  22.593  1.00 52.58 ? 99  ARG B CA    1 
ATOM   1642 C C     . ARG B 1 99  ? 39.711  22.392  23.995  1.00 49.51 ? 99  ARG B C     1 
ATOM   1643 O O     . ARG B 1 99  ? 39.139  23.252  24.674  1.00 41.02 ? 99  ARG B O     1 
ATOM   1644 C CB    . ARG B 1 99  ? 39.227  23.312  21.707  1.00 51.86 ? 99  ARG B CB    1 
ATOM   1645 N N     . GLY B 1 100 ? 40.757  21.693  24.432  1.00 52.99 ? 100 GLY B N     1 
ATOM   1646 C CA    . GLY B 1 100 ? 41.359  21.959  25.723  1.00 59.19 ? 100 GLY B CA    1 
ATOM   1647 C C     . GLY B 1 100 ? 40.385  21.982  26.882  1.00 60.76 ? 100 GLY B C     1 
ATOM   1648 O O     . GLY B 1 100 ? 40.274  22.991  27.587  1.00 62.82 ? 100 GLY B O     1 
ATOM   1649 N N     . GLY B 1 101 ? 39.672  20.879  27.091  1.00 58.54 ? 101 GLY B N     1 
ATOM   1650 C CA    . GLY B 1 101 ? 38.754  20.804  28.206  1.00 56.42 ? 101 GLY B CA    1 
ATOM   1651 C C     . GLY B 1 101 ? 37.522  21.668  28.093  1.00 51.14 ? 101 GLY B C     1 
ATOM   1652 O O     . GLY B 1 101 ? 36.768  21.769  29.067  1.00 54.05 ? 101 GLY B O     1 
ATOM   1653 N N     . GLY B 1 102 ? 37.290  22.298  26.942  1.00 39.45 ? 102 GLY B N     1 
ATOM   1654 C CA    . GLY B 1 102 ? 36.081  23.077  26.767  1.00 37.73 ? 102 GLY B CA    1 
ATOM   1655 C C     . GLY B 1 102 ? 35.190  22.486  25.693  1.00 34.38 ? 102 GLY B C     1 
ATOM   1656 O O     . GLY B 1 102 ? 35.673  21.727  24.841  1.00 33.32 ? 102 GLY B O     1 
ATOM   1657 N N     . ILE B 1 103 ? 33.898  22.816  25.724  1.00 30.94 ? 103 ILE B N     1 
ATOM   1658 C CA    . ILE B 1 103 ? 32.943  22.404  24.693  1.00 34.85 ? 103 ILE B CA    1 
ATOM   1659 C C     . ILE B 1 103 ? 32.133  23.620  24.269  1.00 27.75 ? 103 ILE B C     1 
ATOM   1660 O O     . ILE B 1 103 ? 31.465  24.249  25.098  1.00 33.80 ? 103 ILE B O     1 
ATOM   1661 C CB    . ILE B 1 103 ? 32.007  21.284  25.180  1.00 39.39 ? 103 ILE B CB    1 
ATOM   1662 C CG1   . ILE B 1 103 ? 32.808  20.031  25.534  1.00 43.82 ? 103 ILE B CG1   1 
ATOM   1663 C CG2   . ILE B 1 103 ? 30.974  20.960  24.115  1.00 37.32 ? 103 ILE B CG2   1 
ATOM   1664 C CD1   . ILE B 1 103 ? 31.952  18.833  25.846  1.00 46.87 ? 103 ILE B CD1   1 
ATOM   1665 N N     . TYR B 1 104 ? 32.157  23.926  22.979  1.00 21.08 ? 104 TYR B N     1 
ATOM   1666 C CA    . TYR B 1 104 ? 31.503  25.104  22.440  1.00 16.01 ? 104 TYR B CA    1 
ATOM   1667 C C     . TYR B 1 104 ? 30.502  24.673  21.381  1.00 20.09 ? 104 TYR B C     1 
ATOM   1668 O O     . TYR B 1 104 ? 30.770  23.738  20.618  1.00 17.90 ? 104 TYR B O     1 
ATOM   1669 C CB    . TYR B 1 104 ? 32.546  26.052  21.862  1.00 24.49 ? 104 TYR B CB    1 
ATOM   1670 C CG    . TYR B 1 104 ? 33.694  26.250  22.819  1.00 38.03 ? 104 TYR B CG    1 
ATOM   1671 C CD1   . TYR B 1 104 ? 33.612  27.156  23.873  1.00 42.72 ? 104 TYR B CD1   1 
ATOM   1672 C CD2   . TYR B 1 104 ? 34.864  25.513  22.675  1.00 41.94 ? 104 TYR B CD2   1 
ATOM   1673 C CE1   . TYR B 1 104 ? 34.670  27.320  24.756  1.00 41.19 ? 104 TYR B CE1   1 
ATOM   1674 C CE2   . TYR B 1 104 ? 35.925  25.675  23.545  1.00 46.76 ? 104 TYR B CE2   1 
ATOM   1675 C CZ    . TYR B 1 104 ? 35.825  26.578  24.581  1.00 45.36 ? 104 TYR B CZ    1 
ATOM   1676 O OH    . TYR B 1 104 ? 36.888  26.731  25.440  1.00 53.35 ? 104 TYR B OH    1 
ATOM   1677 N N     . TRP B 1 105 ? 29.347  25.339  21.345  1.00 14.08 ? 105 TRP B N     1 
ATOM   1678 C CA    . TRP B 1 105 ? 28.229  24.941  20.501  1.00 15.34 ? 105 TRP B CA    1 
ATOM   1679 C C     . TRP B 1 105 ? 27.954  26.027  19.474  1.00 13.80 ? 105 TRP B C     1 
ATOM   1680 O O     . TRP B 1 105 ? 27.977  27.217  19.801  1.00 13.76 ? 105 TRP B O     1 
ATOM   1681 C CB    . TRP B 1 105 ? 26.957  24.686  21.323  1.00 12.50 ? 105 TRP B CB    1 
ATOM   1682 C CG    . TRP B 1 105 ? 26.948  23.390  22.053  1.00 12.31 ? 105 TRP B CG    1 
ATOM   1683 C CD1   . TRP B 1 105 ? 27.642  23.068  23.190  1.00 13.16 ? 105 TRP B CD1   1 
ATOM   1684 C CD2   . TRP B 1 105 ? 26.200  22.225  21.690  1.00 11.39 ? 105 TRP B CD2   1 
ATOM   1685 N NE1   . TRP B 1 105 ? 27.364  21.760  23.551  1.00 13.42 ? 105 TRP B NE1   1 
ATOM   1686 C CE2   . TRP B 1 105 ? 26.484  21.226  22.647  1.00 12.95 ? 105 TRP B CE2   1 
ATOM   1687 C CE3   . TRP B 1 105 ? 25.316  21.927  20.641  1.00 10.48 ? 105 TRP B CE3   1 
ATOM   1688 C CZ2   . TRP B 1 105 ? 25.910  19.949  22.589  1.00 13.32 ? 105 TRP B CZ2   1 
ATOM   1689 C CZ3   . TRP B 1 105 ? 24.746  20.657  20.588  1.00 11.18 ? 105 TRP B CZ3   1 
ATOM   1690 C CH2   . TRP B 1 105 ? 25.047  19.687  21.558  1.00 14.16 ? 105 TRP B CH2   1 
ATOM   1691 N N     . GLY B 1 106 ? 27.713  25.608  18.233  1.00 12.03 ? 106 GLY B N     1 
ATOM   1692 C CA    . GLY B 1 106 ? 27.199  26.510  17.223  1.00 17.12 ? 106 GLY B CA    1 
ATOM   1693 C C     . GLY B 1 106 ? 25.740  26.823  17.467  1.00 12.99 ? 106 GLY B C     1 
ATOM   1694 O O     . GLY B 1 106 ? 25.071  26.209  18.295  1.00 12.91 ? 106 GLY B O     1 
ATOM   1695 N N     . GLN B 1 107 ? 25.225  27.797  16.714  1.00 14.09 ? 107 GLN B N     1 
ATOM   1696 C CA    . GLN B 1 107 ? 23.882  28.284  17.007  1.00 12.14 ? 107 GLN B CA    1 
ATOM   1697 C C     . GLN B 1 107 ? 22.783  27.364  16.487  1.00 16.60 ? 107 GLN B C     1 
ATOM   1698 O O     . GLN B 1 107 ? 21.616  27.552  16.853  1.00 18.35 ? 107 GLN B O     1 
ATOM   1699 C CB    . GLN B 1 107 ? 23.706  29.702  16.450  1.00 23.40 ? 107 GLN B CB    1 
ATOM   1700 C CG    . GLN B 1 107 ? 23.465  29.762  14.955  1.00 37.33 ? 107 GLN B CG    1 
ATOM   1701 C CD    . GLN B 1 107 ? 24.750  29.704  14.126  1.00 43.26 ? 107 GLN B CD    1 
ATOM   1702 O OE1   . GLN B 1 107 ? 25.848  29.443  14.644  1.00 36.28 ? 107 GLN B OE1   1 
ATOM   1703 N NE2   . GLN B 1 107 ? 24.615  29.974  12.830  1.00 47.95 ? 107 GLN B NE2   1 
ATOM   1704 N N     . GLY B 1 108 ? 23.118  26.364  15.678  1.00 17.56 ? 108 GLY B N     1 
ATOM   1705 C CA    . GLY B 1 108 ? 22.105  25.494  15.118  1.00 16.77 ? 108 GLY B CA    1 
ATOM   1706 C C     . GLY B 1 108 ? 21.557  26.092  13.839  1.00 18.20 ? 108 GLY B C     1 
ATOM   1707 O O     . GLY B 1 108 ? 21.425  27.315  13.731  1.00 19.63 ? 108 GLY B O     1 
ATOM   1708 N N     . THR B 1 109 ? 21.238  25.256  12.862  1.00 13.81 ? 109 THR B N     1 
ATOM   1709 C CA    . THR B 1 109 ? 20.736  25.748  11.586  1.00 14.77 ? 109 THR B CA    1 
ATOM   1710 C C     . THR B 1 109 ? 19.698  24.778  11.036  1.00 14.98 ? 109 THR B C     1 
ATOM   1711 O O     . THR B 1 109 ? 19.888  23.559  11.088  1.00 10.99 ? 109 THR B O     1 
ATOM   1712 C CB    . THR B 1 109 ? 21.887  25.959  10.576  1.00 15.10 ? 109 THR B CB    1 
ATOM   1713 O OG1   . THR B 1 109 ? 21.399  26.661  9.425   1.00 20.73 ? 109 THR B OG1   1 
ATOM   1714 C CG2   . THR B 1 109 ? 22.476  24.640  10.127  1.00 13.57 ? 109 THR B CG2   1 
ATOM   1715 N N     . GLN B 1 110 ? 18.603  25.329  10.499  1.00 11.74 ? 110 GLN B N     1 
ATOM   1716 C CA    . GLN B 1 110 ? 17.488  24.511  10.023  1.00 15.62 ? 110 GLN B CA    1 
ATOM   1717 C C     . GLN B 1 110 ? 17.726  24.017  8.599   1.00 16.18 ? 110 GLN B C     1 
ATOM   1718 O O     . GLN B 1 110 ? 18.008  24.812  7.691   1.00 17.04 ? 110 GLN B O     1 
ATOM   1719 C CB    . GLN B 1 110 ? 16.187  25.308  10.062  1.00 15.94 ? 110 GLN B CB    1 
ATOM   1720 C CG    . GLN B 1 110 ? 15.003  24.607  9.422   1.00 19.68 ? 110 GLN B CG    1 
ATOM   1721 C CD    . GLN B 1 110 ? 14.400  23.551  10.332  1.00 33.78 ? 110 GLN B CD    1 
ATOM   1722 O OE1   . GLN B 1 110 ? 14.384  23.711  11.552  1.00 36.84 ? 110 GLN B OE1   1 
ATOM   1723 N NE2   . GLN B 1 110 ? 13.884  22.475  9.743   1.00 36.92 ? 110 GLN B NE2   1 
ATOM   1724 N N     . VAL B 1 111 ? 17.564  22.712  8.395   1.00 9.56  ? 111 VAL B N     1 
ATOM   1725 C CA    . VAL B 1 111 ? 17.562  22.113  7.066   1.00 9.90  ? 111 VAL B CA    1 
ATOM   1726 C C     . VAL B 1 111 ? 16.186  21.505  6.814   1.00 12.94 ? 111 VAL B C     1 
ATOM   1727 O O     . VAL B 1 111 ? 15.720  20.676  7.599   1.00 12.98 ? 111 VAL B O     1 
ATOM   1728 C CB    . VAL B 1 111 ? 18.673  21.056  6.931   1.00 14.10 ? 111 VAL B CB    1 
ATOM   1729 C CG1   . VAL B 1 111 ? 18.538  20.311  5.619   1.00 11.32 ? 111 VAL B CG1   1 
ATOM   1730 C CG2   . VAL B 1 111 ? 20.056  21.711  7.061   1.00 13.54 ? 111 VAL B CG2   1 
ATOM   1731 N N     . THR B 1 112 ? 15.542  21.906  5.721   1.00 11.45 ? 112 THR B N     1 
ATOM   1732 C CA    . THR B 1 112 ? 14.222  21.401  5.359   1.00 11.67 ? 112 THR B CA    1 
ATOM   1733 C C     . THR B 1 112 ? 14.296  20.740  3.991   1.00 12.14 ? 112 THR B C     1 
ATOM   1734 O O     . THR B 1 112 ? 14.650  21.391  3.001   1.00 16.79 ? 112 THR B O     1 
ATOM   1735 C CB    . THR B 1 112 ? 13.187  22.530  5.342   1.00 15.41 ? 112 THR B CB    1 
ATOM   1736 O OG1   . THR B 1 112 ? 13.125  23.139  6.632   1.00 17.97 ? 112 THR B OG1   1 
ATOM   1737 C CG2   . THR B 1 112 ? 11.810  21.988  4.989   1.00 18.48 ? 112 THR B CG2   1 
ATOM   1738 N N     . VAL B 1 113 ? 13.925  19.465  3.926   1.00 14.83 ? 113 VAL B N     1 
ATOM   1739 C CA    . VAL B 1 113 ? 13.936  18.713  2.674   1.00 15.21 ? 113 VAL B CA    1 
ATOM   1740 C C     . VAL B 1 113 ? 12.494  18.458  2.261   1.00 19.71 ? 113 VAL B C     1 
ATOM   1741 O O     . VAL B 1 113 ? 11.778  17.699  2.924   1.00 15.58 ? 113 VAL B O     1 
ATOM   1742 C CB    . VAL B 1 113 ? 14.696  17.395  2.810   1.00 13.26 ? 113 VAL B CB    1 
ATOM   1743 C CG1   . VAL B 1 113 ? 14.760  16.704  1.451   1.00 12.87 ? 113 VAL B CG1   1 
ATOM   1744 C CG2   . VAL B 1 113 ? 16.082  17.647  3.394   1.00 11.07 ? 113 VAL B CG2   1 
ATOM   1745 N N     . SER B 1 114 ? 12.076  19.064  1.151   1.00 23.67 ? 114 SER B N     1 
ATOM   1746 C CA    . SER B 1 114 ? 10.698  18.952  0.688   1.00 28.26 ? 114 SER B CA    1 
ATOM   1747 C C     . SER B 1 114 ? 10.459  17.675  -0.116  1.00 33.23 ? 114 SER B C     1 
ATOM   1748 O O     . SER B 1 114 ? 11.336  17.187  -0.836  1.00 28.93 ? 114 SER B O     1 
ATOM   1749 C CB    . SER B 1 114 ? 10.316  20.171  -0.154  1.00 32.54 ? 114 SER B CB    1 
ATOM   1750 O OG    . SER B 1 114 ? 11.195  20.329  -1.254  1.00 31.18 ? 114 SER B OG    1 
ATOM   1751 N N     . SER B 1 115 ? 9.238   17.155  -0.002  1.00 38.55 ? 115 SER B N     1 
ATOM   1752 C CA    . SER B 1 115 ? 8.785   15.984  -0.753  1.00 43.90 ? 115 SER B CA    1 
ATOM   1753 C C     . SER B 1 115 ? 9.560   14.732  -0.371  1.00 48.40 ? 115 SER B C     1 
ATOM   1754 O O     . SER B 1 115 ? 9.024   13.850  0.297   1.00 51.87 ? 115 SER B O     1 
ATOM   1755 C CB    . SER B 1 115 ? 8.893   16.228  -2.261  1.00 42.64 ? 115 SER B CB    1 
ATOM   1756 O OG    . SER B 1 115 ? 8.047   17.290  -2.672  1.00 40.26 ? 115 SER B OG    1 
ATOM   1757 O "O5'" A DG  C 2 1   ? 32.133  17.866  -4.392  0.24 14.03 ? 1   DG  C "O5'" 1 
ATOM   1758 O "O5'" B DG  C 2 1   ? 31.967  17.915  -2.263  0.76 15.29 ? 1   DG  C "O5'" 1 
ATOM   1759 C "C5'" A DG  C 2 1   ? 32.028  16.887  -3.366  0.24 15.67 ? 1   DG  C "C5'" 1 
ATOM   1760 C "C5'" B DG  C 2 1   ? 31.664  17.386  -3.537  0.76 15.47 ? 1   DG  C "C5'" 1 
ATOM   1761 C "C4'" A DG  C 2 1   ? 30.638  16.268  -3.341  0.24 17.02 ? 1   DG  C "C4'" 1 
ATOM   1762 C "C4'" B DG  C 2 1   ? 30.490  16.422  -3.447  0.76 17.30 ? 1   DG  C "C4'" 1 
ATOM   1763 O "O4'" A DG  C 2 1   ? 29.658  17.270  -2.958  0.24 16.02 ? 1   DG  C "O4'" 1 
ATOM   1764 O "O4'" B DG  C 2 1   ? 29.300  17.136  -3.032  0.76 13.52 ? 1   DG  C "O4'" 1 
ATOM   1765 C "C3'" A DG  C 2 1   ? 30.152  15.694  -4.670  0.24 16.58 ? 1   DG  C "C3'" 1 
ATOM   1766 C "C3'" B DG  C 2 1   ? 30.104  15.755  -4.748  0.76 16.74 ? 1   DG  C "C3'" 1 
ATOM   1767 O "O3'" A DG  C 2 1   ? 29.406  14.509  -4.427  0.24 17.52 ? 1   DG  C "O3'" 1 
ATOM   1768 O "O3'" B DG  C 2 1   ? 29.426  14.536  -4.458  0.76 17.61 ? 1   DG  C "O3'" 1 
ATOM   1769 C "C2'" A DG  C 2 1   ? 29.268  16.812  -5.216  0.24 14.56 ? 1   DG  C "C2'" 1 
ATOM   1770 C "C2'" B DG  C 2 1   ? 29.177  16.801  -5.366  0.76 12.20 ? 1   DG  C "C2'" 1 
ATOM   1771 C "C1'" A DG  C 2 1   ? 28.642  17.339  -3.935  0.24 14.43 ? 1   DG  C "C1'" 1 
ATOM   1772 C "C1'" B DG  C 2 1   ? 28.419  17.288  -4.131  0.76 12.50 ? 1   DG  C "C1'" 1 
ATOM   1773 N N9    A DG  C 2 1   ? 28.184  18.723  -4.023  0.24 13.52 ? 1   DG  C N9    1 
ATOM   1774 N N9    B DG  C 2 1   ? 28.003  18.690  -4.179  0.76 15.16 ? 1   DG  C N9    1 
ATOM   1775 C C8    A DG  C 2 1   ? 26.953  19.211  -3.649  0.24 14.29 ? 1   DG  C C8    1 
ATOM   1776 C C8    B DG  C 2 1   ? 26.782  19.199  -3.796  0.76 13.59 ? 1   DG  C C8    1 
ATOM   1777 N N7    A DG  C 2 1   ? 26.826  20.496  -3.834  0.24 11.76 ? 1   DG  C N7    1 
ATOM   1778 N N7    B DG  C 2 1   ? 26.695  20.494  -3.922  0.76 11.68 ? 1   DG  C N7    1 
ATOM   1779 C C5    A DG  C 2 1   ? 28.050  20.885  -4.363  0.24 12.53 ? 1   DG  C C5    1 
ATOM   1780 C C5    B DG  C 2 1   ? 27.939  20.871  -4.416  0.76 11.64 ? 1   DG  C C5    1 
ATOM   1781 C C6    A DG  C 2 1   ? 28.503  22.166  -4.764  0.24 12.37 ? 1   DG  C C6    1 
ATOM   1782 C C6    B DG  C 2 1   ? 28.431  22.160  -4.750  0.76 12.75 ? 1   DG  C C6    1 
ATOM   1783 O O6    A DG  C 2 1   ? 27.889  23.240  -4.726  0.24 12.17 ? 1   DG  C O6    1 
ATOM   1784 O O6    B DG  C 2 1   ? 27.840  23.245  -4.663  0.76 11.47 ? 1   DG  C O6    1 
ATOM   1785 N N1    A DG  C 2 1   ? 29.810  22.124  -5.249  0.24 13.33 ? 1   DG  C N1    1 
ATOM   1786 N N1    B DG  C 2 1   ? 29.746  22.109  -5.225  0.76 13.55 ? 1   DG  C N1    1 
ATOM   1787 C C2    A DG  C 2 1   ? 30.581  20.985  -5.333  0.24 14.39 ? 1   DG  C C2    1 
ATOM   1788 C C2    B DG  C 2 1   ? 30.489  20.949  -5.351  0.76 15.26 ? 1   DG  C C2    1 
ATOM   1789 N N2    A DG  C 2 1   ? 31.820  21.138  -5.822  0.24 12.81 ? 1   DG  C N2    1 
ATOM   1790 N N2    B DG  C 2 1   ? 31.742  21.086  -5.814  0.76 12.76 ? 1   DG  C N2    1 
ATOM   1791 N N3    A DG  C 2 1   ? 30.168  19.780  -4.957  0.24 12.32 ? 1   DG  C N3    1 
ATOM   1792 N N3    B DG  C 2 1   ? 30.036  19.738  -5.035  0.76 12.22 ? 1   DG  C N3    1 
ATOM   1793 C C4    A DG  C 2 1   ? 28.897  19.806  -4.485  0.24 12.02 ? 1   DG  C C4    1 
ATOM   1794 C C4    B DG  C 2 1   ? 28.757  19.776  -4.577  0.76 11.92 ? 1   DG  C C4    1 
ATOM   1795 P P     . DG  C 2 2   ? 28.932  13.571  -5.644  1.00 18.87 ? 2   DG  C P     1 
ATOM   1796 O OP1   . DG  C 2 2   ? 28.702  12.235  -5.063  1.00 14.91 ? 2   DG  C OP1   1 
ATOM   1797 O OP2   . DG  C 2 2   ? 29.842  13.793  -6.789  1.00 17.13 ? 2   DG  C OP2   1 
ATOM   1798 O "O5'" . DG  C 2 2   ? 27.518  14.179  -6.077  1.00 17.86 ? 2   DG  C "O5'" 1 
ATOM   1799 C "C5'" . DG  C 2 2   ? 26.424  14.215  -5.162  1.00 13.09 ? 2   DG  C "C5'" 1 
ATOM   1800 C "C4'" . DG  C 2 2   ? 25.324  15.095  -5.722  1.00 16.21 ? 2   DG  C "C4'" 1 
ATOM   1801 O "O4'" . DG  C 2 2   ? 25.764  16.465  -5.727  1.00 11.50 ? 2   DG  C "O4'" 1 
ATOM   1802 C "C3'" . DG  C 2 2   ? 24.944  14.802  -7.168  1.00 14.55 ? 2   DG  C "C3'" 1 
ATOM   1803 O "O3'" . DG  C 2 2   ? 23.757  14.000  -7.191  1.00 12.43 ? 2   DG  C "O3'" 1 
ATOM   1804 C "C2'" . DG  C 2 2   ? 24.716  16.204  -7.810  1.00 14.46 ? 2   DG  C "C2'" 1 
ATOM   1805 C "C1'" . DG  C 2 2   ? 24.981  17.175  -6.648  1.00 10.88 ? 2   DG  C "C1'" 1 
ATOM   1806 N N9    . DG  C 2 2   ? 25.716  18.386  -6.998  1.00 10.42 ? 2   DG  C N9    1 
ATOM   1807 C C8    . DG  C 2 2   ? 26.977  18.462  -7.552  1.00 15.50 ? 2   DG  C C8    1 
ATOM   1808 N N7    . DG  C 2 2   ? 27.400  19.692  -7.714  1.00 10.21 ? 2   DG  C N7    1 
ATOM   1809 C C5    . DG  C 2 2   ? 26.360  20.474  -7.213  1.00 9.94  ? 2   DG  C C5    1 
ATOM   1810 C C6    . DG  C 2 2   ? 26.239  21.885  -7.117  1.00 10.68 ? 2   DG  C C6    1 
ATOM   1811 O O6    . DG  C 2 2   ? 27.053  22.749  -7.469  1.00 11.00 ? 2   DG  C O6    1 
ATOM   1812 N N1    . DG  C 2 2   ? 25.010  22.267  -6.549  1.00 9.94  ? 2   DG  C N1    1 
ATOM   1813 C C2    . DG  C 2 2   ? 24.033  21.384  -6.132  1.00 13.69 ? 2   DG  C C2    1 
ATOM   1814 N N2    . DG  C 2 2   ? 22.913  21.923  -5.607  1.00 10.59 ? 2   DG  C N2    1 
ATOM   1815 N N3    . DG  C 2 2   ? 24.146  20.068  -6.210  1.00 10.67 ? 2   DG  C N3    1 
ATOM   1816 C C4    . DG  C 2 2   ? 25.328  19.683  -6.757  1.00 10.17 ? 2   DG  C C4    1 
ATOM   1817 P P     . DT  C 2 3   ? 23.691  12.707  -8.127  1.00 20.46 ? 3   DT  C P     1 
ATOM   1818 O OP1   . DT  C 2 3   ? 22.345  12.134  -7.914  1.00 24.06 ? 3   DT  C OP1   1 
ATOM   1819 O OP2   . DT  C 2 3   ? 24.901  11.886  -7.944  1.00 16.71 ? 3   DT  C OP2   1 
ATOM   1820 O "O5'" . DT  C 2 3   ? 23.763  13.335  -9.598  1.00 16.41 ? 3   DT  C "O5'" 1 
ATOM   1821 C "C5'" . DT  C 2 3   ? 24.060  12.538  -10.717 1.00 15.91 ? 3   DT  C "C5'" 1 
ATOM   1822 C "C4'" . DT  C 2 3   ? 23.952  13.391  -11.958 1.00 14.64 ? 3   DT  C "C4'" 1 
ATOM   1823 O "O4'" . DT  C 2 3   ? 22.579  13.826  -12.101 1.00 15.62 ? 3   DT  C "O4'" 1 
ATOM   1824 C "C3'" . DT  C 2 3   ? 24.787  14.665  -11.916 1.00 16.71 ? 3   DT  C "C3'" 1 
ATOM   1825 O "O3'" . DT  C 2 3   ? 26.045  14.440  -12.511 1.00 17.51 ? 3   DT  C "O3'" 1 
ATOM   1826 C "C2'" . DT  C 2 3   ? 23.968  15.654  -12.734 1.00 10.47 ? 3   DT  C "C2'" 1 
ATOM   1827 C "C1'" . DT  C 2 3   ? 22.535  15.179  -12.496 1.00 12.42 ? 3   DT  C "C1'" 1 
ATOM   1828 N N1    . DT  C 2 3   ? 21.789  15.971  -11.479 1.00 12.92 ? 3   DT  C N1    1 
ATOM   1829 C C2    . DT  C 2 3   ? 21.472  17.269  -11.779 1.00 13.04 ? 3   DT  C C2    1 
ATOM   1830 O O2    . DT  C 2 3   ? 21.824  17.806  -12.820 1.00 14.41 ? 3   DT  C O2    1 
ATOM   1831 N N3    . DT  C 2 3   ? 20.748  17.930  -10.815 1.00 13.47 ? 3   DT  C N3    1 
ATOM   1832 C C4    . DT  C 2 3   ? 20.306  17.409  -9.606  1.00 20.82 ? 3   DT  C C4    1 
ATOM   1833 O O4    . DT  C 2 3   ? 19.652  18.074  -8.804  1.00 22.52 ? 3   DT  C O4    1 
ATOM   1834 C C5    . DT  C 2 3   ? 20.656  16.019  -9.362  1.00 28.15 ? 3   DT  C C5    1 
ATOM   1835 C C7    . DT  C 2 3   ? 20.230  15.344  -8.092  1.00 30.52 ? 3   DT  C C7    1 
ATOM   1836 C C6    . DT  C 2 3   ? 21.366  15.371  -10.304 1.00 21.53 ? 3   DT  C C6    1 
ATOM   1837 P P     . DT  C 2 4   ? 27.337  15.227  -11.985 1.00 15.46 ? 4   DT  C P     1 
ATOM   1838 O OP1   . DT  C 2 4   ? 28.499  14.581  -12.650 1.00 14.23 ? 4   DT  C OP1   1 
ATOM   1839 O OP2   . DT  C 2 4   ? 27.255  15.364  -10.508 1.00 19.97 ? 4   DT  C OP2   1 
ATOM   1840 O "O5'" . DT  C 2 4   ? 27.166  16.695  -12.575 1.00 15.01 ? 4   DT  C "O5'" 1 
ATOM   1841 C "C5'" . DT  C 2 4   ? 27.371  16.942  -13.963 1.00 12.70 ? 4   DT  C "C5'" 1 
ATOM   1842 C "C4'" . DT  C 2 4   ? 28.329  18.112  -14.152 1.00 12.46 ? 4   DT  C "C4'" 1 
ATOM   1843 O "O4'" . DT  C 2 4   ? 27.681  19.355  -13.765 1.00 11.87 ? 4   DT  C "O4'" 1 
ATOM   1844 C "C3'" . DT  C 2 4   ? 29.608  18.034  -13.332 1.00 13.75 ? 4   DT  C "C3'" 1 
ATOM   1845 O "O3'" . DT  C 2 4   ? 30.664  18.735  -14.035 1.00 15.46 ? 4   DT  C "O3'" 1 
ATOM   1846 C "C2'" . DT  C 2 4   ? 29.186  18.767  -12.047 1.00 10.97 ? 4   DT  C "C2'" 1 
ATOM   1847 C "C1'" . DT  C 2 4   ? 28.314  19.888  -12.626 1.00 10.43 ? 4   DT  C "C1'" 1 
ATOM   1848 N N1    . DT  C 2 4   ? 27.239  20.393  -11.723 1.00 10.17 ? 4   DT  C N1    1 
ATOM   1849 C C2    . DT  C 2 4   ? 27.277  21.702  -11.315 1.00 8.91  ? 4   DT  C C2    1 
ATOM   1850 O O2    . DT  C 2 4   ? 28.173  22.469  -11.619 1.00 9.36  ? 4   DT  C O2    1 
ATOM   1851 N N3    . DT  C 2 4   ? 26.233  22.084  -10.526 1.00 11.26 ? 4   DT  C N3    1 
ATOM   1852 C C4    . DT  C 2 4   ? 25.155  21.308  -10.125 1.00 9.42  ? 4   DT  C C4    1 
ATOM   1853 O O4    . DT  C 2 4   ? 24.263  21.750  -9.411  1.00 8.97  ? 4   DT  C O4    1 
ATOM   1854 C C5    . DT  C 2 4   ? 25.166  19.939  -10.595 1.00 9.30  ? 4   DT  C C5    1 
ATOM   1855 C C7    . DT  C 2 4   ? 24.053  18.988  -10.217 1.00 9.36  ? 4   DT  C C7    1 
ATOM   1856 C C6    . DT  C 2 4   ? 26.190  19.556  -11.373 1.00 9.04  ? 4   DT  C C6    1 
ATOM   1857 P P     . DG  C 2 5   ? 32.207  18.302  -13.882 1.00 16.41 ? 5   DG  C P     1 
ATOM   1858 O OP1   . DG  C 2 5   ? 32.940  19.026  -14.942 1.00 13.17 ? 5   DG  C OP1   1 
ATOM   1859 O OP2   . DG  C 2 5   ? 32.264  16.824  -13.853 1.00 17.44 ? 5   DG  C OP2   1 
ATOM   1860 O "O5'" . DG  C 2 5   ? 32.688  18.882  -12.468 1.00 13.87 ? 5   DG  C "O5'" 1 
ATOM   1861 C "C5'" . DG  C 2 5   ? 32.549  20.261  -12.186 1.00 12.82 ? 5   DG  C "C5'" 1 
ATOM   1862 C "C4'" . DG  C 2 5   ? 33.864  21.010  -12.378 1.00 18.55 ? 5   DG  C "C4'" 1 
ATOM   1863 O "O4'" . DG  C 2 5   ? 33.594  22.428  -12.328 1.00 12.46 ? 5   DG  C "O4'" 1 
ATOM   1864 C "C3'" . DG  C 2 5   ? 34.916  20.807  -11.300 1.00 17.97 ? 5   DG  C "C3'" 1 
ATOM   1865 O "O3'" . DG  C 2 5   ? 36.193  21.197  -11.828 1.00 25.04 ? 5   DG  C "O3'" 1 
ATOM   1866 C "C2'" . DG  C 2 5   ? 34.440  21.777  -10.230 1.00 19.39 ? 5   DG  C "C2'" 1 
ATOM   1867 C "C1'" . DG  C 2 5   ? 34.047  22.968  -11.094 1.00 14.61 ? 5   DG  C "C1'" 1 
ATOM   1868 N N9    . DG  C 2 5   ? 32.939  23.743  -10.569 1.00 13.03 ? 5   DG  C N9    1 
ATOM   1869 C C8    . DG  C 2 5   ? 32.816  25.110  -10.611 1.00 12.32 ? 5   DG  C C8    1 
ATOM   1870 N N7    . DG  C 2 5   ? 31.699  25.544  -10.119 1.00 15.59 ? 5   DG  C N7    1 
ATOM   1871 C C5    . DG  C 2 5   ? 31.032  24.393  -9.714  1.00 14.53 ? 5   DG  C C5    1 
ATOM   1872 C C6    . DG  C 2 5   ? 29.764  24.248  -9.104  1.00 10.40 ? 5   DG  C C6    1 
ATOM   1873 O O6    . DG  C 2 5   ? 28.958  25.142  -8.797  1.00 12.17 ? 5   DG  C O6    1 
ATOM   1874 N N1    . DG  C 2 5   ? 29.456  22.907  -8.861  1.00 10.22 ? 5   DG  C N1    1 
ATOM   1875 C C2    . DG  C 2 5   ? 30.276  21.842  -9.182  1.00 12.22 ? 5   DG  C C2    1 
ATOM   1876 N N2    . DG  C 2 5   ? 29.813  20.616  -8.874  1.00 10.44 ? 5   DG  C N2    1 
ATOM   1877 N N3    . DG  C 2 5   ? 31.468  21.970  -9.760  1.00 11.13 ? 5   DG  C N3    1 
ATOM   1878 C C4    . DG  C 2 5   ? 31.778  23.270  -9.997  1.00 12.23 ? 5   DG  C C4    1 
ATOM   1879 P P     . DG  C 2 6   ? 37.550  20.986  -10.997 1.00 24.71 ? 6   DG  C P     1 
ATOM   1880 O OP1   . DG  C 2 6   ? 38.635  21.021  -12.005 1.00 31.89 ? 6   DG  C OP1   1 
ATOM   1881 O OP2   . DG  C 2 6   ? 37.404  19.866  -10.036 1.00 28.17 ? 6   DG  C OP2   1 
ATOM   1882 O "O5'" . DG  C 2 6   ? 37.663  22.318  -10.111 1.00 22.86 ? 6   DG  C "O5'" 1 
ATOM   1883 C "C5'" . DG  C 2 6   ? 37.895  23.571  -10.752 1.00 20.76 ? 6   DG  C "C5'" 1 
ATOM   1884 C "C4'" . DG  C 2 6   ? 37.697  24.730  -9.787  1.00 20.04 ? 6   DG  C "C4'" 1 
ATOM   1885 O "O4'" . DG  C 2 6   ? 36.282  24.850  -9.461  1.00 19.47 ? 6   DG  C "O4'" 1 
ATOM   1886 C "C3'" . DG  C 2 6   ? 38.409  24.586  -8.434  1.00 22.23 ? 6   DG  C "C3'" 1 
ATOM   1887 O "O3'" . DG  C 2 6   ? 38.969  25.812  -8.032  1.00 29.03 ? 6   DG  C "O3'" 1 
ATOM   1888 C "C2'" . DG  C 2 6   ? 37.278  24.217  -7.494  1.00 17.93 ? 6   DG  C "C2'" 1 
ATOM   1889 C "C1'" . DG  C 2 6   ? 36.182  25.072  -8.079  1.00 17.43 ? 6   DG  C "C1'" 1 
ATOM   1890 N N9    . DG  C 2 6   ? 34.853  24.709  -7.617  1.00 16.71 ? 6   DG  C N9    1 
ATOM   1891 C C8    . DG  C 2 6   ? 34.415  23.454  -7.280  1.00 17.86 ? 6   DG  C C8    1 
ATOM   1892 N N7    . DG  C 2 6   ? 33.180  23.433  -6.858  1.00 14.50 ? 6   DG  C N7    1 
ATOM   1893 C C5    . DG  C 2 6   ? 32.783  24.772  -6.914  1.00 13.44 ? 6   DG  C C5    1 
ATOM   1894 C C6    . DG  C 2 6   ? 31.551  25.370  -6.561  1.00 17.26 ? 6   DG  C C6    1 
ATOM   1895 O O6    . DG  C 2 6   ? 30.531  24.819  -6.137  1.00 14.86 ? 6   DG  C O6    1 
ATOM   1896 N N1    . DG  C 2 6   ? 31.573  26.754  -6.746  1.00 15.33 ? 6   DG  C N1    1 
ATOM   1897 C C2    . DG  C 2 6   ? 32.658  27.469  -7.202  1.00 19.17 ? 6   DG  C C2    1 
ATOM   1898 N N2    . DG  C 2 6   ? 32.491  28.800  -7.317  1.00 14.26 ? 6   DG  C N2    1 
ATOM   1899 N N3    . DG  C 2 6   ? 33.827  26.917  -7.518  1.00 21.76 ? 6   DG  C N3    1 
ATOM   1900 C C4    . DG  C 2 6   ? 33.810  25.567  -7.357  1.00 14.89 ? 6   DG  C C4    1 
ATOM   1901 P P     . DT  C 2 7   ? 40.509  26.139  -8.319  1.00 37.17 ? 7   DT  C P     1 
ATOM   1902 O OP1   . DT  C 2 7   ? 40.588  26.650  -9.704  1.00 44.24 ? 7   DT  C OP1   1 
ATOM   1903 O OP2   . DT  C 2 7   ? 41.306  24.954  -7.914  1.00 35.24 ? 7   DT  C OP2   1 
ATOM   1904 O "O5'" . DT  C 2 7   ? 40.817  27.333  -7.296  1.00 45.13 ? 7   DT  C "O5'" 1 
ATOM   1905 C "C5'" . DT  C 2 7   ? 40.802  27.072  -5.892  1.00 44.96 ? 7   DT  C "C5'" 1 
ATOM   1906 C "C4'" . DT  C 2 7   ? 40.100  28.183  -5.119  1.00 43.76 ? 7   DT  C "C4'" 1 
ATOM   1907 O "O4'" . DT  C 2 7   ? 40.730  29.459  -5.381  1.00 44.56 ? 7   DT  C "O4'" 1 
ATOM   1908 C "C3'" . DT  C 2 7   ? 38.621  28.380  -5.426  1.00 37.52 ? 7   DT  C "C3'" 1 
ATOM   1909 O "O3'" . DT  C 2 7   ? 37.991  28.860  -4.253  1.00 33.60 ? 7   DT  C "O3'" 1 
ATOM   1910 C "C2'" . DT  C 2 7   ? 38.679  29.473  -6.493  1.00 35.67 ? 7   DT  C "C2'" 1 
ATOM   1911 C "C1'" . DT  C 2 7   ? 39.779  30.352  -5.909  1.00 41.66 ? 7   DT  C "C1'" 1 
ATOM   1912 N N1    . DT  C 2 7   ? 40.488  31.232  -6.887  1.00 57.83 ? 7   DT  C N1    1 
ATOM   1913 C C2    . DT  C 2 7   ? 39.820  32.283  -7.489  1.00 61.85 ? 7   DT  C C2    1 
ATOM   1914 O O2    . DT  C 2 7   ? 38.641  32.531  -7.302  1.00 54.06 ? 7   DT  C O2    1 
ATOM   1915 N N3    . DT  C 2 7   ? 40.591  33.026  -8.349  1.00 70.63 ? 7   DT  C N3    1 
ATOM   1916 C C4    . DT  C 2 7   ? 41.935  32.842  -8.644  1.00 74.84 ? 7   DT  C C4    1 
ATOM   1917 O O4    . DT  C 2 7   ? 42.541  33.567  -9.428  1.00 81.99 ? 7   DT  C O4    1 
ATOM   1918 C C5    . DT  C 2 7   ? 42.573  31.737  -7.966  1.00 69.59 ? 7   DT  C C5    1 
ATOM   1919 C C7    . DT  C 2 7   ? 44.024  31.437  -8.206  1.00 71.53 ? 7   DT  C C7    1 
ATOM   1920 C C6    . DT  C 2 7   ? 41.831  31.003  -7.126  1.00 64.04 ? 7   DT  C C6    1 
ATOM   1921 P P     . DG  C 2 8   ? 37.341  27.837  -3.201  1.00 33.29 ? 8   DG  C P     1 
ATOM   1922 O OP1   . DG  C 2 8   ? 36.922  28.629  -2.023  1.00 33.47 ? 8   DG  C OP1   1 
ATOM   1923 O OP2   . DG  C 2 8   ? 38.291  26.718  -3.032  1.00 29.93 ? 8   DG  C OP2   1 
ATOM   1924 O "O5'" . DG  C 2 8   ? 36.041  27.290  -3.945  1.00 28.78 ? 8   DG  C "O5'" 1 
ATOM   1925 C "C5'" . DG  C 2 8   ? 35.072  28.190  -4.455  1.00 27.97 ? 8   DG  C "C5'" 1 
ATOM   1926 C "C4'" . DG  C 2 8   ? 33.685  27.789  -3.988  1.00 20.20 ? 8   DG  C "C4'" 1 
ATOM   1927 O "O4'" . DG  C 2 8   ? 33.378  26.481  -4.482  1.00 16.01 ? 8   DG  C "O4'" 1 
ATOM   1928 C "C3'" . DG  C 2 8   ? 33.470  27.791  -2.480  1.00 23.81 ? 8   DG  C "C3'" 1 
ATOM   1929 O "O3'" . DG  C 2 8   ? 32.654  28.922  -2.197  1.00 33.22 ? 8   DG  C "O3'" 1 
ATOM   1930 C "C2'" . DG  C 2 8   ? 32.764  26.468  -2.167  1.00 28.25 ? 8   DG  C "C2'" 1 
ATOM   1931 C "C1'" . DG  C 2 8   ? 32.785  25.686  -3.492  1.00 20.70 ? 8   DG  C "C1'" 1 
ATOM   1932 N N9    . DG  C 2 8   ? 33.521  24.427  -3.466  1.00 22.31 ? 8   DG  C N9    1 
ATOM   1933 C C8    . DG  C 2 8   ? 34.821  24.228  -3.872  1.00 16.98 ? 8   DG  C C8    1 
ATOM   1934 N N7    . DG  C 2 8   ? 35.208  22.995  -3.774  1.00 19.10 ? 8   DG  C N7    1 
ATOM   1935 C C5    . DG  C 2 8   ? 34.092  22.328  -3.271  1.00 20.33 ? 8   DG  C C5    1 
ATOM   1936 C C6    . DG  C 2 8   ? 33.918  20.966  -2.943  1.00 25.41 ? 8   DG  C C6    1 
ATOM   1937 O O6    . DG  C 2 8   ? 34.742  20.054  -3.039  1.00 25.57 ? 8   DG  C O6    1 
ATOM   1938 N N1    . DG  C 2 8   ? 32.628  20.703  -2.462  1.00 23.30 ? 8   DG  C N1    1 
ATOM   1939 C C2    . DG  C 2 8   ? 31.637  21.651  -2.315  1.00 23.46 ? 8   DG  C C2    1 
ATOM   1940 N N2    . DG  C 2 8   ? 30.456  21.221  -1.831  1.00 14.52 ? 8   DG  C N2    1 
ATOM   1941 N N3    . DG  C 2 8   ? 31.791  22.930  -2.627  1.00 14.91 ? 8   DG  C N3    1 
ATOM   1942 C C4    . DG  C 2 8   ? 33.043  23.195  -3.090  1.00 17.95 ? 8   DG  C C4    1 
ATOM   1943 P P     . DT  C 2 9   ? 32.237  29.356  -0.712  1.00 34.28 ? 9   DT  C P     1 
ATOM   1944 O OP1   . DT  C 2 9   ? 32.953  30.633  -0.510  1.00 40.77 ? 9   DT  C OP1   1 
ATOM   1945 O OP2   . DT  C 2 9   ? 32.433  28.242  0.237   1.00 39.75 ? 9   DT  C OP2   1 
ATOM   1946 O "O5'" . DT  C 2 9   ? 30.667  29.656  -0.841  1.00 20.48 ? 9   DT  C "O5'" 1 
ATOM   1947 C "C5'" . DT  C 2 9   ? 30.194  30.489  -1.901  1.00 21.94 ? 9   DT  C "C5'" 1 
ATOM   1948 C "C4'" . DT  C 2 9   ? 28.746  30.896  -1.678  1.00 20.82 ? 9   DT  C "C4'" 1 
ATOM   1949 O "O4'" . DT  C 2 9   ? 27.893  29.717  -1.845  1.00 17.50 ? 9   DT  C "O4'" 1 
ATOM   1950 C "C3'" . DT  C 2 9   ? 28.429  31.444  -0.288  1.00 24.79 ? 9   DT  C "C3'" 1 
ATOM   1951 O "O3'" . DT  C 2 9   ? 27.384  32.411  -0.366  1.00 27.46 ? 9   DT  C "O3'" 1 
ATOM   1952 C "C2'" . DT  C 2 9   ? 27.971  30.194  0.446   1.00 17.58 ? 9   DT  C "C2'" 1 
ATOM   1953 C "C1'" . DT  C 2 9   ? 27.183  29.488  -0.651  1.00 17.84 ? 9   DT  C "C1'" 1 
ATOM   1954 N N1    . DT  C 2 9   ? 27.084  28.010  -0.452  1.00 17.59 ? 9   DT  C N1    1 
ATOM   1955 C C2    . DT  C 2 9   ? 26.099  27.505  0.362   1.00 22.53 ? 9   DT  C C2    1 
ATOM   1956 O O2    . DT  C 2 9   ? 25.303  28.206  0.963   1.00 22.19 ? 9   DT  C O2    1 
ATOM   1957 N N3    . DT  C 2 9   ? 26.087  26.143  0.463   1.00 18.32 ? 9   DT  C N3    1 
ATOM   1958 C C4    . DT  C 2 9   ? 26.940  25.253  -0.162  1.00 17.37 ? 9   DT  C C4    1 
ATOM   1959 O O4    . DT  C 2 9   ? 26.843  24.046  -0.011  1.00 19.89 ? 9   DT  C O4    1 
ATOM   1960 C C5    . DT  C 2 9   ? 27.950  25.850  -1.012  1.00 14.61 ? 9   DT  C C5    1 
ATOM   1961 C C7    . DT  C 2 9   ? 28.928  24.988  -1.753  1.00 15.22 ? 9   DT  C C7    1 
ATOM   1962 C C6    . DT  C 2 9   ? 27.961  27.182  -1.124  1.00 14.88 ? 9   DT  C C6    1 
ATOM   1963 P P     . DG  C 2 10  ? 27.697  33.993  -0.376  1.00 29.32 ? 10  DG  C P     1 
ATOM   1964 O OP1   . DG  C 2 10  ? 28.801  34.257  0.568   1.00 25.63 ? 10  DG  C OP1   1 
ATOM   1965 O OP2   . DG  C 2 10  ? 26.385  34.647  -0.182  1.00 28.65 ? 10  DG  C OP2   1 
ATOM   1966 O "O5'" . DG  C 2 10  ? 28.203  34.287  -1.864  1.00 22.71 ? 10  DG  C "O5'" 1 
ATOM   1967 C "C5'" . DG  C 2 10  ? 27.279  34.431  -2.936  1.00 20.08 ? 10  DG  C "C5'" 1 
ATOM   1968 C "C4'" . DG  C 2 10  ? 27.993  34.986  -4.152  1.00 20.91 ? 10  DG  C "C4'" 1 
ATOM   1969 O "O4'" . DG  C 2 10  ? 28.987  34.035  -4.605  1.00 19.63 ? 10  DG  C "O4'" 1 
ATOM   1970 C "C3'" . DG  C 2 10  ? 27.133  35.285  -5.366  1.00 18.13 ? 10  DG  C "C3'" 1 
ATOM   1971 O "O3'" . DG  C 2 10  ? 27.722  36.396  -6.048  1.00 24.40 ? 10  DG  C "O3'" 1 
ATOM   1972 C "C2'" . DG  C 2 10  ? 27.249  33.982  -6.173  1.00 17.92 ? 10  DG  C "C2'" 1 
ATOM   1973 C "C1'" . DG  C 2 10  ? 28.711  33.631  -5.926  1.00 19.77 ? 10  DG  C "C1'" 1 
ATOM   1974 N N9    . DG  C 2 10  ? 29.044  32.205  -6.016  1.00 15.73 ? 10  DG  C N9    1 
ATOM   1975 C C8    . DG  C 2 10  ? 30.179  31.670  -6.585  1.00 17.47 ? 10  DG  C C8    1 
ATOM   1976 N N7    . DG  C 2 10  ? 30.248  30.371  -6.501  1.00 14.31 ? 10  DG  C N7    1 
ATOM   1977 C C5    . DG  C 2 10  ? 29.097  30.015  -5.816  1.00 13.60 ? 10  DG  C C5    1 
ATOM   1978 C C6    . DG  C 2 10  ? 28.636  28.733  -5.433  1.00 12.52 ? 10  DG  C C6    1 
ATOM   1979 O O6    . DG  C 2 10  ? 29.183  27.632  -5.626  1.00 13.71 ? 10  DG  C O6    1 
ATOM   1980 N N1    . DG  C 2 10  ? 27.414  28.804  -4.760  1.00 15.83 ? 10  DG  C N1    1 
ATOM   1981 C C2    . DG  C 2 10  ? 26.727  29.969  -4.500  1.00 12.78 ? 10  DG  C C2    1 
ATOM   1982 N N2    . DG  C 2 10  ? 25.565  29.837  -3.840  1.00 12.87 ? 10  DG  C N2    1 
ATOM   1983 N N3    . DG  C 2 10  ? 27.153  31.186  -4.854  1.00 14.73 ? 10  DG  C N3    1 
ATOM   1984 C C4    . DG  C 2 10  ? 28.340  31.132  -5.505  1.00 16.07 ? 10  DG  C C4    1 
ATOM   1985 P P     . DG  C 2 11  ? 26.989  37.098  -7.290  1.00 25.44 ? 11  DG  C P     1 
ATOM   1986 O OP1   . DG  C 2 11  ? 27.582  38.455  -7.385  1.00 32.34 ? 11  DG  C OP1   1 
ATOM   1987 O OP2   . DG  C 2 11  ? 25.520  36.923  -7.179  1.00 29.59 ? 11  DG  C OP2   1 
ATOM   1988 O "O5'" . DG  C 2 11  ? 27.451  36.209  -8.513  1.00 23.83 ? 11  DG  C "O5'" 1 
ATOM   1989 C "C5'" . DG  C 2 11  ? 28.809  36.176  -8.885  1.00 25.54 ? 11  DG  C "C5'" 1 
ATOM   1990 C "C4'" . DG  C 2 11  ? 29.028  35.083  -9.905  1.00 23.70 ? 11  DG  C "C4'" 1 
ATOM   1991 O "O4'" . DG  C 2 11  ? 28.938  33.798  -9.247  1.00 20.81 ? 11  DG  C "O4'" 1 
ATOM   1992 C "C3'" . DG  C 2 11  ? 27.963  35.061  -11.005 1.00 22.74 ? 11  DG  C "C3'" 1 
ATOM   1993 O "O3'" . DG  C 2 11  ? 28.515  35.350  -12.248 1.00 26.11 ? 11  DG  C "O3'" 1 
ATOM   1994 C "C2'" . DG  C 2 11  ? 27.413  33.626  -10.984 1.00 16.64 ? 11  DG  C "C2'" 1 
ATOM   1995 C "C1'" . DG  C 2 11  ? 28.461  32.873  -10.182 1.00 13.67 ? 11  DG  C "C1'" 1 
ATOM   1996 N N9    . DG  C 2 11  ? 27.916  31.709  -9.502  1.00 11.51 ? 11  DG  C N9    1 
ATOM   1997 C C8    . DG  C 2 11  ? 26.712  31.631  -8.830  1.00 11.23 ? 11  DG  C C8    1 
ATOM   1998 N N7    . DG  C 2 11  ? 26.452  30.438  -8.372  1.00 10.79 ? 11  DG  C N7    1 
ATOM   1999 C C5    . DG  C 2 11  ? 27.533  29.667  -8.782  1.00 10.73 ? 11  DG  C C5    1 
ATOM   2000 C C6    . DG  C 2 11  ? 27.798  28.295  -8.567  1.00 10.46 ? 11  DG  C C6    1 
ATOM   2001 O O6    . DG  C 2 11  ? 27.098  27.475  -7.979  1.00 10.21 ? 11  DG  C O6    1 
ATOM   2002 N N1    . DG  C 2 11  ? 29.005  27.900  -9.143  1.00 10.72 ? 11  DG  C N1    1 
ATOM   2003 C C2    . DG  C 2 11  ? 29.849  28.737  -9.847  1.00 14.46 ? 11  DG  C C2    1 
ATOM   2004 N N2    . DG  C 2 11  ? 30.981  28.185  -10.332 1.00 11.72 ? 11  DG  C N2    1 
ATOM   2005 N N3    . DG  C 2 11  ? 29.609  30.028  -10.049 1.00 11.54 ? 11  DG  C N3    1 
ATOM   2006 C C4    . DG  C 2 11  ? 28.438  30.424  -9.488  1.00 11.20 ? 11  DG  C C4    1 
ATOM   2007 P P     . DT  C 2 12  ? 28.025  36.668  -13.013 1.00 22.74 ? 12  DT  C P     1 
ATOM   2008 O OP1   . DT  C 2 12  ? 28.757  36.701  -14.283 1.00 26.71 ? 12  DT  C OP1   1 
ATOM   2009 O OP2   . DT  C 2 12  ? 28.047  37.830  -12.084 1.00 17.35 ? 12  DT  C OP2   1 
ATOM   2010 O "O5'" . DT  C 2 12  ? 26.451  36.445  -13.182 1.00 25.59 ? 12  DT  C "O5'" 1 
ATOM   2011 C "C5'" . DT  C 2 12  ? 25.862  36.205  -14.401 1.00 16.10 ? 12  DT  C "C5'" 1 
ATOM   2012 C "C4'" . DT  C 2 12  ? 24.402  35.855  -14.173 1.00 15.15 ? 12  DT  C "C4'" 1 
ATOM   2013 O "O4'" . DT  C 2 12  ? 23.578  36.935  -14.630 1.00 12.13 ? 12  DT  C "O4'" 1 
ATOM   2014 C "C3'" . DT  C 2 12  ? 23.885  34.614  -14.855 1.00 19.09 ? 12  DT  C "C3'" 1 
ATOM   2015 O "O3'" . DT  C 2 12  ? 22.855  34.066  -14.073 1.00 22.99 ? 12  DT  C "O3'" 1 
ATOM   2016 C "C2'" . DT  C 2 12  ? 23.328  35.149  -16.160 1.00 13.91 ? 12  DT  C "C2'" 1 
ATOM   2017 C "C1'" . DT  C 2 12  ? 22.794  36.508  -15.725 1.00 12.19 ? 12  DT  C "C1'" 1 
ATOM   2018 N N1    . DT  C 2 12  ? 22.858  37.543  -16.786 1.00 12.54 ? 12  DT  C N1    1 
ATOM   2019 C C2    . DT  C 2 12  ? 24.085  37.985  -17.262 1.00 18.01 ? 12  DT  C C2    1 
ATOM   2020 O O2    . DT  C 2 12  ? 25.164  37.576  -16.863 1.00 13.02 ? 12  DT  C O2    1 
ATOM   2021 N N3    . DT  C 2 12  ? 24.004  38.938  -18.229 1.00 13.90 ? 12  DT  C N3    1 
ATOM   2022 C C4    . DT  C 2 12  ? 22.855  39.491  -18.769 1.00 20.78 ? 12  DT  C C4    1 
ATOM   2023 O O4    . DT  C 2 12  ? 22.893  40.337  -19.645 1.00 15.10 ? 12  DT  C O4    1 
ATOM   2024 C C5    . DT  C 2 12  ? 21.609  38.990  -18.227 1.00 14.68 ? 12  DT  C C5    1 
ATOM   2025 C C7    . DT  C 2 12  ? 20.295  39.516  -18.738 1.00 19.00 ? 12  DT  C C7    1 
ATOM   2026 C C6    . DT  C 2 12  ? 21.671  38.056  -17.276 1.00 12.91 ? 12  DT  C C6    1 
ATOM   2027 P P     . DT  C 2 13  ? 23.133  32.648  -13.404 1.00 26.52 ? 13  DT  C P     1 
ATOM   2028 O OP1   . DT  C 2 13  ? 24.456  32.780  -12.762 1.00 23.78 ? 13  DT  C OP1   1 
ATOM   2029 O OP2   . DT  C 2 13  ? 22.894  31.614  -14.449 1.00 23.78 ? 13  DT  C OP2   1 
ATOM   2030 O "O5'" . DT  C 2 13  ? 22.117  32.503  -12.197 1.00 23.25 ? 13  DT  C "O5'" 1 
ATOM   2031 C "C5'" . DT  C 2 13  ? 20.910  31.854  -12.402 1.00 17.62 ? 13  DT  C "C5'" 1 
ATOM   2032 C "C4'" . DT  C 2 13  ? 20.751  30.780  -11.341 1.00 15.85 ? 13  DT  C "C4'" 1 
ATOM   2033 O "O4'" . DT  C 2 13  ? 21.689  29.684  -11.584 1.00 17.04 ? 13  DT  C "O4'" 1 
ATOM   2034 C "C3'" . DT  C 2 13  ? 21.050  31.246  -9.923  1.00 21.60 ? 13  DT  C "C3'" 1 
ATOM   2035 O "O3'" . DT  C 2 13  ? 20.359  30.449  -9.007  1.00 31.91 ? 13  DT  C "O3'" 1 
ATOM   2036 C "C2'" . DT  C 2 13  ? 22.526  30.937  -9.818  1.00 24.85 ? 13  DT  C "C2'" 1 
ATOM   2037 C "C1'" . DT  C 2 13  ? 22.502  29.549  -10.434 1.00 18.06 ? 13  DT  C "C1'" 1 
ATOM   2038 N N1    . DT  C 2 13  ? 23.846  28.995  -10.789 1.00 10.71 ? 13  DT  C N1    1 
ATOM   2039 C C2    . DT  C 2 13  ? 24.156  27.708  -10.387 1.00 11.07 ? 13  DT  C C2    1 
ATOM   2040 O O2    . DT  C 2 13  ? 23.390  27.012  -9.779  1.00 10.89 ? 13  DT  C O2    1 
ATOM   2041 N N3    . DT  C 2 13  ? 25.397  27.278  -10.733 1.00 9.19  ? 13  DT  C N3    1 
ATOM   2042 C C4    . DT  C 2 13  ? 26.350  27.981  -11.418 1.00 9.11  ? 13  DT  C C4    1 
ATOM   2043 O O4    . DT  C 2 13  ? 27.436  27.501  -11.680 1.00 13.68 ? 13  DT  C O4    1 
ATOM   2044 C C5    . DT  C 2 13  ? 25.979  29.328  -11.803 1.00 9.42  ? 13  DT  C C5    1 
ATOM   2045 C C7    . DT  C 2 13  ? 26.943  30.188  -12.572 1.00 10.93 ? 13  DT  C C7    1 
ATOM   2046 C C6    . DT  C 2 13  ? 24.753  29.765  -11.472 1.00 14.84 ? 13  DT  C C6    1 
ATOM   2047 P P     . DG  C 2 14  ? 19.045  30.985  -8.267  1.00 30.90 ? 14  DG  C P     1 
ATOM   2048 O OP1   . DG  C 2 14  ? 17.879  30.763  -9.145  1.00 37.45 ? 14  DG  C OP1   1 
ATOM   2049 O OP2   . DG  C 2 14  ? 19.358  32.331  -7.737  1.00 19.41 ? 14  DG  C OP2   1 
ATOM   2050 O "O5'" . DG  C 2 14  ? 18.861  29.933  -7.104  1.00 29.85 ? 14  DG  C "O5'" 1 
ATOM   2051 C "C5'" . DG  C 2 14  ? 19.713  29.957  -5.988  1.00 25.57 ? 14  DG  C "C5'" 1 
ATOM   2052 C "C4'" . DG  C 2 14  ? 19.092  29.114  -4.906  1.00 19.87 ? 14  DG  C "C4'" 1 
ATOM   2053 O "O4'" . DG  C 2 14  ? 19.443  27.727  -5.120  1.00 15.70 ? 14  DG  C "O4'" 1 
ATOM   2054 C "C3'" . DG  C 2 14  ? 19.515  29.437  -3.483  1.00 18.67 ? 14  DG  C "C3'" 1 
ATOM   2055 O "O3'" . DG  C 2 14  ? 18.433  29.114  -2.608  1.00 18.61 ? 14  DG  C "O3'" 1 
ATOM   2056 C "C2'" . DG  C 2 14  ? 20.711  28.500  -3.282  1.00 17.44 ? 14  DG  C "C2'" 1 
ATOM   2057 C "C1'" . DG  C 2 14  ? 20.253  27.261  -4.055  1.00 14.29 ? 14  DG  C "C1'" 1 
ATOM   2058 N N9    . DG  C 2 14  ? 21.341  26.471  -4.633  1.00 11.82 ? 14  DG  C N9    1 
ATOM   2059 C C8    . DG  C 2 14  ? 21.491  25.107  -4.548  1.00 11.46 ? 14  DG  C C8    1 
ATOM   2060 N N7    . DG  C 2 14  ? 22.538  24.660  -5.177  1.00 12.12 ? 14  DG  C N7    1 
ATOM   2061 C C5    . DG  C 2 14  ? 23.132  25.802  -5.718  1.00 10.52 ? 14  DG  C C5    1 
ATOM   2062 C C6    . DG  C 2 14  ? 24.304  25.933  -6.505  1.00 10.93 ? 14  DG  C C6    1 
ATOM   2063 O O6    . DG  C 2 14  ? 25.076  25.047  -6.873  1.00 10.42 ? 14  DG  C O6    1 
ATOM   2064 N N1    . DG  C 2 14  ? 24.559  27.259  -6.846  1.00 10.15 ? 14  DG  C N1    1 
ATOM   2065 C C2    . DG  C 2 14  ? 23.769  28.326  -6.484  1.00 11.63 ? 14  DG  C C2    1 
ATOM   2066 N N2    . DG  C 2 14  ? 24.174  29.534  -6.922  1.00 10.68 ? 14  DG  C N2    1 
ATOM   2067 N N3    . DG  C 2 14  ? 22.657  28.219  -5.748  1.00 10.97 ? 14  DG  C N3    1 
ATOM   2068 C C4    . DG  C 2 14  ? 22.402  26.927  -5.404  1.00 12.46 ? 14  DG  C C4    1 
ATOM   2069 P P     . DG  C 2 15  ? 18.495  29.477  -1.048  1.00 20.13 ? 15  DG  C P     1 
ATOM   2070 O OP1   . DG  C 2 15  ? 17.132  29.373  -0.485  1.00 19.39 ? 15  DG  C OP1   1 
ATOM   2071 O OP2   . DG  C 2 15  ? 19.284  30.711  -0.868  1.00 19.76 ? 15  DG  C OP2   1 
ATOM   2072 O "O5'" . DG  C 2 15  ? 19.325  28.276  -0.437  1.00 19.67 ? 15  DG  C "O5'" 1 
ATOM   2073 C "C5'" . DG  C 2 15  ? 18.747  26.994  -0.380  1.00 16.01 ? 15  DG  C "C5'" 1 
ATOM   2074 C "C4'" . DG  C 2 15  ? 19.769  26.013  0.128   1.00 16.37 ? 15  DG  C "C4'" 1 
ATOM   2075 O "O4'" . DG  C 2 15  ? 20.805  25.866  -0.880  1.00 14.53 ? 15  DG  C "O4'" 1 
ATOM   2076 C "C3'" . DG  C 2 15  ? 20.488  26.463  1.405   1.00 16.95 ? 15  DG  C "C3'" 1 
ATOM   2077 O "O3'" . DG  C 2 15  ? 20.608  25.362  2.315   1.00 17.74 ? 15  DG  C "O3'" 1 
ATOM   2078 C "C2'" . DG  C 2 15  ? 21.852  26.917  0.887   1.00 16.11 ? 15  DG  C "C2'" 1 
ATOM   2079 C "C1'" . DG  C 2 15  ? 22.046  25.932  -0.250  1.00 17.84 ? 15  DG  C "C1'" 1 
ATOM   2080 N N9    . DG  C 2 15  ? 23.087  26.320  -1.208  1.00 13.82 ? 15  DG  C N9    1 
ATOM   2081 C C8    . DG  C 2 15  ? 23.523  27.592  -1.499  1.00 13.81 ? 15  DG  C C8    1 
ATOM   2082 N N7    . DG  C 2 15  ? 24.503  27.615  -2.360  1.00 16.91 ? 15  DG  C N7    1 
ATOM   2083 C C5    . DG  C 2 15  ? 24.720  26.270  -2.659  1.00 14.71 ? 15  DG  C C5    1 
ATOM   2084 C C6    . DG  C 2 15  ? 25.667  25.662  -3.521  1.00 12.43 ? 15  DG  C C6    1 
ATOM   2085 O O6    . DG  C 2 15  ? 26.513  26.209  -4.228  1.00 11.75 ? 15  DG  C O6    1 
ATOM   2086 N N1    . DG  C 2 15  ? 25.555  24.263  -3.515  1.00 13.76 ? 15  DG  C N1    1 
ATOM   2087 C C2    . DG  C 2 15  ? 24.654  23.558  -2.761  1.00 12.20 ? 15  DG  C C2    1 
ATOM   2088 N N2    . DG  C 2 15  ? 24.681  22.217  -2.882  1.00 12.10 ? 15  DG  C N2    1 
ATOM   2089 N N3    . DG  C 2 15  ? 23.769  24.121  -1.953  1.00 13.17 ? 15  DG  C N3    1 
ATOM   2090 C C4    . DG  C 2 15  ? 23.864  25.471  -1.947  1.00 15.24 ? 15  DG  C C4    1 
ATOM   2091 O "O5'" A DG  D 2 1   ? 16.874  26.909  31.862  0.66 8.99  ? 1   DG  D "O5'" 1 
ATOM   2092 O "O5'" B DG  D 2 1   ? 17.121  27.072  29.594  0.34 8.99  ? 1   DG  D "O5'" 1 
ATOM   2093 C "C5'" A DG  D 2 1   ? 17.310  27.582  30.672  0.66 14.39 ? 1   DG  D "C5'" 1 
ATOM   2094 C "C5'" B DG  D 2 1   ? 17.018  28.043  30.626  0.34 13.84 ? 1   DG  D "C5'" 1 
ATOM   2095 C "C4'" A DG  D 2 1   ? 18.494  28.500  30.965  0.66 12.32 ? 1   DG  D "C4'" 1 
ATOM   2096 C "C4'" B DG  D 2 1   ? 18.388  28.599  30.974  0.34 12.49 ? 1   DG  D "C4'" 1 
ATOM   2097 O "O4'" A DG  D 2 1   ? 19.588  27.720  31.494  0.66 12.42 ? 1   DG  D "O4'" 1 
ATOM   2098 O "O4'" B DG  D 2 1   ? 19.236  27.531  31.476  0.34 8.28  ? 1   DG  D "O4'" 1 
ATOM   2099 C "C3'" A DG  D 2 1   ? 19.088  29.212  29.758  0.66 11.54 ? 1   DG  D "C3'" 1 
ATOM   2100 C "C3'" B DG  D 2 1   ? 19.150  29.222  29.800  0.34 11.36 ? 1   DG  D "C3'" 1 
ATOM   2101 O "O3'" A DG  D 2 1   ? 19.805  30.367  30.211  0.66 10.97 ? 1   DG  D "O3'" 1 
ATOM   2102 O "O3'" B DG  D 2 1   ? 19.814  30.390  30.233  0.34 11.40 ? 1   DG  D "O3'" 1 
ATOM   2103 C "C2'" A DG  D 2 1   ? 20.028  28.137  29.202  0.66 8.55  ? 1   DG  D "C2'" 1 
ATOM   2104 C "C2'" B DG  D 2 1   ? 20.144  28.128  29.416  0.34 10.52 ? 1   DG  D "C2'" 1 
ATOM   2105 C "C1'" A DG  D 2 1   ? 20.597  27.565  30.503  0.66 7.97  ? 1   DG  D "C1'" 1 
ATOM   2106 C "C1'" B DG  D 2 1   ? 20.466  27.555  30.785  0.34 10.08 ? 1   DG  D "C1'" 1 
ATOM   2107 N N9    A DG  D 2 1   ? 20.946  26.144  30.476  0.66 8.94  ? 1   DG  D N9    1 
ATOM   2108 N N9    B DG  D 2 1   ? 21.001  26.198  30.757  0.34 9.59  ? 1   DG  D N9    1 
ATOM   2109 C C8    A DG  D 2 1   ? 22.044  25.569  31.067  0.66 8.44  ? 1   DG  D C8    1 
ATOM   2110 C C8    B DG  D 2 1   ? 22.188  25.769  31.303  0.34 8.31  ? 1   DG  D C8    1 
ATOM   2111 N N7    A DG  D 2 1   ? 22.087  24.273  30.942  0.66 6.42  ? 1   DG  D N7    1 
ATOM   2112 N N7    B DG  D 2 1   ? 22.403  24.494  31.141  0.34 10.80 ? 1   DG  D N7    1 
ATOM   2113 C C5    A DG  D 2 1   ? 20.935  23.962  30.251  0.66 9.02  ? 1   DG  D C5    1 
ATOM   2114 C C5    B DG  D 2 1   ? 21.287  24.047  30.454  0.34 8.19  ? 1   DG  D C5    1 
ATOM   2115 C C6    A DG  D 2 1   ? 20.455  22.707  29.839  0.66 7.52  ? 1   DG  D C6    1 
ATOM   2116 C C6    B DG  D 2 1   ? 20.962  22.751  30.005  0.34 7.81  ? 1   DG  D C6    1 
ATOM   2117 O O6    A DG  D 2 1   ? 20.977  21.604  30.021  0.66 7.43  ? 1   DG  D O6    1 
ATOM   2118 O O6    B DG  D 2 1   ? 21.625  21.717  30.130  0.34 5.69  ? 1   DG  D O6    1 
ATOM   2119 N N1    A DG  D 2 1   ? 19.250  22.812  29.153  0.66 6.29  ? 1   DG  D N1    1 
ATOM   2120 N N1    B DG  D 2 1   ? 19.736  22.725  29.338  0.34 7.28  ? 1   DG  D N1    1 
ATOM   2121 C C2    A DG  D 2 1   ? 18.584  23.991  28.912  0.66 8.03  ? 1   DG  D C2    1 
ATOM   2122 C C2    B DG  D 2 1   ? 18.925  23.818  29.144  0.34 7.69  ? 1   DG  D C2    1 
ATOM   2123 N N2    A DG  D 2 1   ? 17.430  23.890  28.232  0.66 7.42  ? 1   DG  D N2    1 
ATOM   2124 N N2    B DG  D 2 1   ? 17.775  23.599  28.482  0.34 7.12  ? 1   DG  D N2    1 
ATOM   2125 N N3    A DG  D 2 1   ? 19.024  25.186  29.299  0.66 7.70  ? 1   DG  D N3    1 
ATOM   2126 N N3    B DG  D 2 1   ? 19.218  25.041  29.565  0.34 8.45  ? 1   DG  D N3    1 
ATOM   2127 C C4    A DG  D 2 1   ? 20.205  25.095  29.962  0.66 8.37  ? 1   DG  D C4    1 
ATOM   2128 C C4    B DG  D 2 1   ? 20.411  25.081  30.209  0.34 8.16  ? 1   DG  D C4    1 
ATOM   2129 P P     . DG  D 2 2   ? 20.522  31.356  29.165  1.00 14.95 ? 2   DG  D P     1 
ATOM   2130 O OP1   . DG  D 2 2   ? 20.697  32.656  29.819  1.00 14.65 ? 2   DG  D OP1   1 
ATOM   2131 O OP2   . DG  D 2 2   ? 19.804  31.240  27.885  1.00 16.06 ? 2   DG  D OP2   1 
ATOM   2132 O "O5'" . DG  D 2 2   ? 21.955  30.689  28.914  1.00 14.63 ? 2   DG  D "O5'" 1 
ATOM   2133 C "C5'" . DG  D 2 2   ? 22.887  30.558  29.982  1.00 14.73 ? 2   DG  D "C5'" 1 
ATOM   2134 C "C4'" . DG  D 2 2   ? 24.048  29.666  29.574  1.00 9.23  ? 2   DG  D "C4'" 1 
ATOM   2135 O "O4'" . DG  D 2 2   ? 23.624  28.301  29.493  1.00 8.95  ? 2   DG  D "O4'" 1 
ATOM   2136 C "C3'" . DG  D 2 2   ? 24.641  29.974  28.205  1.00 13.27 ? 2   DG  D "C3'" 1 
ATOM   2137 O "O3'" . DG  D 2 2   ? 25.772  30.801  28.373  1.00 16.38 ? 2   DG  D "O3'" 1 
ATOM   2138 C "C2'" . DG  D 2 2   ? 25.010  28.587  27.615  1.00 11.85 ? 2   DG  D "C2'" 1 
ATOM   2139 C "C1'" . DG  D 2 2   ? 24.557  27.609  28.704  1.00 9.52  ? 2   DG  D "C1'" 1 
ATOM   2140 N N9    . DG  D 2 2   ? 23.886  26.425  28.214  1.00 9.40  ? 2   DG  D N9    1 
ATOM   2141 C C8    . DG  D 2 2   ? 22.729  26.376  27.466  1.00 12.77 ? 2   DG  D C8    1 
ATOM   2142 N N7    . DG  D 2 2   ? 22.331  25.159  27.217  1.00 9.16  ? 2   DG  D N7    1 
ATOM   2143 C C5    . DG  D 2 2   ? 23.285  24.361  27.840  1.00 8.27  ? 2   DG  D C5    1 
ATOM   2144 C C6    . DG  D 2 2   ? 23.383  22.956  27.922  1.00 9.31  ? 2   DG  D C6    1 
ATOM   2145 O O6    . DG  D 2 2   ? 22.625  22.111  27.432  1.00 5.99  ? 2   DG  D O6    1 
ATOM   2146 N N1    . DG  D 2 2   ? 24.499  22.555  28.677  1.00 6.15  ? 2   DG  D N1    1 
ATOM   2147 C C2    . DG  D 2 2   ? 25.403  23.402  29.255  1.00 11.31 ? 2   DG  D C2    1 
ATOM   2148 N N2    . DG  D 2 2   ? 26.430  22.829  29.940  1.00 7.18  ? 2   DG  D N2    1 
ATOM   2149 N N3    . DG  D 2 2   ? 25.313  24.718  29.190  1.00 9.24  ? 2   DG  D N3    1 
ATOM   2150 C C4    . DG  D 2 2   ? 24.232  25.126  28.471  1.00 6.99  ? 2   DG  D C4    1 
ATOM   2151 P P     . DT  D 2 3   ? 25.985  32.068  27.418  1.00 21.33 ? 3   DT  D P     1 
ATOM   2152 O OP1   . DT  D 2 3   ? 27.165  32.809  27.898  1.00 22.88 ? 3   DT  D OP1   1 
ATOM   2153 O OP2   . DT  D 2 3   ? 24.700  32.778  27.255  1.00 19.69 ? 3   DT  D OP2   1 
ATOM   2154 O "O5'" . DT  D 2 3   ? 26.315  31.378  26.014  1.00 16.90 ? 3   DT  D "O5'" 1 
ATOM   2155 C "C5'" . DT  D 2 3   ? 26.313  32.136  24.814  1.00 21.53 ? 3   DT  D "C5'" 1 
ATOM   2156 C "C4'" . DT  D 2 3   ? 26.774  31.251  23.675  1.00 16.20 ? 3   DT  D "C4'" 1 
ATOM   2157 O "O4'" . DT  D 2 3   ? 28.136  30.823  23.942  1.00 21.06 ? 3   DT  D "O4'" 1 
ATOM   2158 C "C3'" . DT  D 2 3   ? 25.971  29.975  23.559  1.00 15.33 ? 3   DT  D "C3'" 1 
ATOM   2159 O "O3'" . DT  D 2 3   ? 24.867  30.204  22.688  1.00 17.41 ? 3   DT  D "O3'" 1 
ATOM   2160 C "C2'" . DT  D 2 3   ? 26.981  28.995  22.973  1.00 14.61 ? 3   DT  D "C2'" 1 
ATOM   2161 C "C1'" . DT  D 2 3   ? 28.299  29.462  23.602  1.00 14.17 ? 3   DT  D "C1'" 1 
ATOM   2162 N N1    . DT  D 2 3   ? 28.699  28.681  24.838  1.00 12.80 ? 3   DT  D N1    1 
ATOM   2163 C C2    . DT  D 2 3   ? 29.129  27.390  24.684  1.00 21.62 ? 3   DT  D C2    1 
ATOM   2164 O O2    . DT  D 2 3   ? 29.187  26.836  23.597  1.00 25.86 ? 3   DT  D O2    1 
ATOM   2165 N N3    . DT  D 2 3   ? 29.465  26.751  25.847  1.00 22.37 ? 3   DT  D N3    1 
ATOM   2166 C C4    . DT  D 2 3   ? 29.429  27.271  27.131  1.00 22.82 ? 3   DT  D C4    1 
ATOM   2167 O O4    . DT  D 2 3   ? 29.749  26.614  28.115  1.00 27.67 ? 3   DT  D O4    1 
ATOM   2168 C C5    . DT  D 2 3   ? 28.979  28.636  27.233  1.00 20.75 ? 3   DT  D C5    1 
ATOM   2169 C C7    . DT  D 2 3   ? 28.894  29.295  28.580  1.00 23.84 ? 3   DT  D C7    1 
ATOM   2170 C C6    . DT  D 2 3   ? 28.640  29.278  26.095  1.00 12.94 ? 3   DT  D C6    1 
ATOM   2171 P P     . DT  D 2 4   ? 23.438  29.534  22.990  1.00 17.06 ? 4   DT  D P     1 
ATOM   2172 O OP1   . DT  D 2 4   ? 22.451  30.268  22.166  1.00 19.61 ? 4   DT  D OP1   1 
ATOM   2173 O OP2   . DT  D 2 4   ? 23.236  29.432  24.451  1.00 20.20 ? 4   DT  D OP2   1 
ATOM   2174 O "O5'" . DT  D 2 4   ? 23.616  28.045  22.464  1.00 10.96 ? 4   DT  D "O5'" 1 
ATOM   2175 C "C5'" . DT  D 2 4   ? 23.652  27.807  21.099  1.00 11.74 ? 4   DT  D "C5'" 1 
ATOM   2176 C "C4'" . DT  D 2 4   ? 22.728  26.659  20.723  1.00 15.94 ? 4   DT  D "C4'" 1 
ATOM   2177 O "O4'" . DT  D 2 4   ? 23.250  25.405  21.220  1.00 9.90  ? 4   DT  D "O4'" 1 
ATOM   2178 C "C3'" . DT  D 2 4   ? 21.318  26.716  21.263  1.00 10.82 ? 4   DT  D "C3'" 1 
ATOM   2179 O "O3'" . DT  D 2 4   ? 20.506  26.008  20.321  1.00 12.69 ? 4   DT  D "O3'" 1 
ATOM   2180 C "C2'" . DT  D 2 4   ? 21.450  25.991  22.607  1.00 9.47  ? 4   DT  D "C2'" 1 
ATOM   2181 C "C1'" . DT  D 2 4   ? 22.398  24.865  22.213  1.00 8.90  ? 4   DT  D "C1'" 1 
ATOM   2182 N N1    . DT  D 2 4   ? 23.271  24.330  23.296  1.00 9.65  ? 4   DT  D N1    1 
ATOM   2183 C C2    . DT  D 2 4   ? 23.119  23.022  23.697  1.00 7.22  ? 4   DT  D C2    1 
ATOM   2184 O O2    . DT  D 2 4   ? 22.248  22.282  23.259  1.00 9.05  ? 4   DT  D O2    1 
ATOM   2185 N N3    . DT  D 2 4   ? 24.014  22.604  24.646  1.00 8.78  ? 4   DT  D N3    1 
ATOM   2186 C C4    . DT  D 2 4   ? 25.022  23.344  25.224  1.00 10.53 ? 4   DT  D C4    1 
ATOM   2187 O O4    . DT  D 2 4   ? 25.764  22.880  26.081  1.00 8.73  ? 4   DT  D O4    1 
ATOM   2188 C C5    . DT  D 2 4   ? 25.138  24.703  24.757  1.00 8.84  ? 4   DT  D C5    1 
ATOM   2189 C C7    . DT  D 2 4   ? 26.206  25.595  25.315  1.00 10.02 ? 4   DT  D C7    1 
ATOM   2190 C C6    . DT  D 2 4   ? 24.276  25.128  23.818  1.00 8.89  ? 4   DT  D C6    1 
ATOM   2191 P P     . DG  D 2 5   ? 18.919  26.174  20.315  1.00 16.16 ? 5   DG  D P     1 
ATOM   2192 O OP1   . DG  D 2 5   ? 18.428  25.550  19.054  1.00 12.41 ? 5   DG  D OP1   1 
ATOM   2193 O OP2   . DG  D 2 5   ? 18.630  27.611  20.532  1.00 15.40 ? 5   DG  D OP2   1 
ATOM   2194 O "O5'" . DG  D 2 5   ? 18.612  25.161  21.537  1.00 22.78 ? 5   DG  D "O5'" 1 
ATOM   2195 C "C5'" . DG  D 2 5   ? 17.440  25.094  22.155  1.00 28.11 ? 5   DG  D "C5'" 1 
ATOM   2196 C "C4'" . DG  D 2 5   ? 16.518  24.075  21.523  1.00 19.14 ? 5   DG  D "C4'" 1 
ATOM   2197 O "O4'" . DG  D 2 5   ? 17.061  22.700  21.578  1.00 12.85 ? 5   DG  D "O4'" 1 
ATOM   2198 C "C3'" . DG  D 2 5   ? 15.234  24.005  22.271  1.00 13.75 ? 5   DG  D "C3'" 1 
ATOM   2199 O "O3'" . DG  D 2 5   ? 14.239  23.524  21.432  1.00 15.73 ? 5   DG  D "O3'" 1 
ATOM   2200 C "C2'" . DG  D 2 5   ? 15.578  23.004  23.384  1.00 9.42  ? 5   DG  D "C2'" 1 
ATOM   2201 C "C1'" . DG  D 2 5   ? 16.363  21.968  22.583  1.00 9.48  ? 5   DG  D "C1'" 1 
ATOM   2202 N N9    . DG  D 2 5   ? 17.330  21.173  23.333  1.00 8.52  ? 5   DG  D N9    1 
ATOM   2203 C C8    . DG  D 2 5   ? 17.479  19.806  23.273  1.00 7.09  ? 5   DG  D C8    1 
ATOM   2204 N N7    . DG  D 2 5   ? 18.467  19.355  24.000  1.00 6.63  ? 5   DG  D N7    1 
ATOM   2205 C C5    . DG  D 2 5   ? 19.045  20.498  24.538  1.00 6.34  ? 5   DG  D C5    1 
ATOM   2206 C C6    . DG  D 2 5   ? 20.160  20.632  25.401  1.00 5.90  ? 5   DG  D C6    1 
ATOM   2207 O O6    . DG  D 2 5   ? 20.895  19.735  25.853  1.00 5.49  ? 5   DG  D O6    1 
ATOM   2208 N N1    . DG  D 2 5   ? 20.411  21.976  25.712  1.00 6.22  ? 5   DG  D N1    1 
ATOM   2209 C C2    . DG  D 2 5   ? 19.671  23.042  25.244  1.00 12.77 ? 5   DG  D C2    1 
ATOM   2210 N N2    . DG  D 2 5   ? 20.061  24.271  25.644  1.00 7.27  ? 5   DG  D N2    1 
ATOM   2211 N N3    . DG  D 2 5   ? 18.625  22.920  24.433  1.00 10.35 ? 5   DG  D N3    1 
ATOM   2212 C C4    . DG  D 2 5   ? 18.369  21.630  24.124  1.00 7.31  ? 5   DG  D C4    1 
ATOM   2213 P P     . DG  D 2 6   ? 12.745  23.624  21.952  1.00 26.85 ? 6   DG  D P     1 
ATOM   2214 O OP1   . DG  D 2 6   ? 11.860  23.636  20.779  1.00 25.40 ? 6   DG  D OP1   1 
ATOM   2215 O OP2   . DG  D 2 6   ? 12.743  24.739  22.927  1.00 23.76 ? 6   DG  D OP2   1 
ATOM   2216 O "O5'" . DG  D 2 6   ? 12.555  22.286  22.809  1.00 25.42 ? 6   DG  D "O5'" 1 
ATOM   2217 C "C5'" . DG  D 2 6   ? 12.555  21.033  22.170  1.00 18.84 ? 6   DG  D "C5'" 1 
ATOM   2218 C "C4'" . DG  D 2 6   ? 12.607  19.922  23.202  1.00 10.40 ? 6   DG  D "C4'" 1 
ATOM   2219 O "O4'" . DG  D 2 6   ? 13.912  19.917  23.830  1.00 9.07  ? 6   DG  D "O4'" 1 
ATOM   2220 C "C3'" . DG  D 2 6   ? 11.585  20.058  24.345  1.00 11.03 ? 6   DG  D "C3'" 1 
ATOM   2221 O "O3'" . DG  D 2 6   ? 11.065  18.789  24.642  1.00 15.30 ? 6   DG  D "O3'" 1 
ATOM   2222 C "C2'" . DG  D 2 6   ? 12.453  20.546  25.498  1.00 11.32 ? 6   DG  D "C2'" 1 
ATOM   2223 C "C1'" . DG  D 2 6   ? 13.711  19.749  25.203  1.00 8.78  ? 6   DG  D "C1'" 1 
ATOM   2224 N N9    . DG  D 2 6   ? 14.898  20.170  25.928  1.00 9.59  ? 6   DG  D N9    1 
ATOM   2225 C C8    . DG  D 2 6   ? 15.234  21.441  26.333  1.00 10.48 ? 6   DG  D C8    1 
ATOM   2226 N N7    . DG  D 2 6   ? 16.362  21.487  26.988  1.00 8.87  ? 6   DG  D N7    1 
ATOM   2227 C C5    . DG  D 2 6   ? 16.796  20.173  27.024  1.00 6.61  ? 6   DG  D C5    1 
ATOM   2228 C C6    . DG  D 2 6   ? 17.959  19.610  27.599  1.00 5.94  ? 6   DG  D C6    1 
ATOM   2229 O O6    . DG  D 2 6   ? 18.856  20.195  28.227  1.00 7.52  ? 6   DG  D O6    1 
ATOM   2230 N N1    . DG  D 2 6   ? 18.010  18.217  27.414  1.00 5.72  ? 6   DG  D N1    1 
ATOM   2231 C C2    . DG  D 2 6   ? 17.046  17.484  26.752  1.00 6.04  ? 6   DG  D C2    1 
ATOM   2232 N N2    . DG  D 2 6   ? 17.245  16.165  26.663  1.00 5.88  ? 6   DG  D N2    1 
ATOM   2233 N N3    . DG  D 2 6   ? 15.965  18.010  26.209  1.00 9.37  ? 6   DG  D N3    1 
ATOM   2234 C C4    . DG  D 2 6   ? 15.905  19.351  26.379  1.00 9.80  ? 6   DG  D C4    1 
ATOM   2235 P P     . DT  D 2 7   ? 9.757   18.231  23.896  1.00 17.13 ? 7   DT  D P     1 
ATOM   2236 O OP1   . DT  D 2 7   ? 10.217  17.749  22.576  1.00 20.68 ? 7   DT  D OP1   1 
ATOM   2237 O OP2   . DT  D 2 7   ? 8.662   19.239  23.977  1.00 15.40 ? 7   DT  D OP2   1 
ATOM   2238 O "O5'" . DT  D 2 7   ? 9.351   16.960  24.783  1.00 17.46 ? 7   DT  D "O5'" 1 
ATOM   2239 C "C5'" . DT  D 2 7   ? 8.869   17.128  26.112  1.00 18.61 ? 7   DT  D "C5'" 1 
ATOM   2240 C "C4'" . DT  D 2 7   ? 9.513   16.113  27.039  1.00 21.59 ? 7   DT  D "C4'" 1 
ATOM   2241 O "O4'" . DT  D 2 7   ? 9.333   14.775  26.486  1.00 12.09 ? 7   DT  D "O4'" 1 
ATOM   2242 C "C3'" . DT  D 2 7   ? 11.025  16.267  27.221  1.00 10.32 ? 7   DT  D "C3'" 1 
ATOM   2243 O "O3'" . DT  D 2 7   ? 11.398  15.850  28.517  1.00 16.87 ? 7   DT  D "O3'" 1 
ATOM   2244 C "C2'" . DT  D 2 7   ? 11.585  15.317  26.175  1.00 9.72  ? 7   DT  D "C2'" 1 
ATOM   2245 C "C1'" . DT  D 2 7   ? 10.599  14.169  26.291  1.00 10.68 ? 7   DT  D "C1'" 1 
ATOM   2246 N N1    . DT  D 2 7   ? 10.556  13.293  25.077  1.00 10.79 ? 7   DT  D N1    1 
ATOM   2247 C C2    . DT  D 2 7   ? 10.777  11.944  25.221  1.00 19.50 ? 7   DT  D C2    1 
ATOM   2248 O O2    . DT  D 2 7   ? 10.980  11.414  26.306  1.00 14.43 ? 7   DT  D O2    1 
ATOM   2249 N N3    . DT  D 2 7   ? 10.736  11.225  24.046  1.00 14.10 ? 7   DT  D N3    1 
ATOM   2250 C C4    . DT  D 2 7   ? 10.503  11.717  22.765  1.00 13.96 ? 7   DT  D C4    1 
ATOM   2251 O O4    . DT  D 2 7   ? 10.477  10.988  21.764  1.00 11.57 ? 7   DT  D O4    1 
ATOM   2252 C C5    . DT  D 2 7   ? 10.298  13.138  22.680  1.00 11.44 ? 7   DT  D C5    1 
ATOM   2253 C C7    . DT  D 2 7   ? 10.038  13.778  21.340  1.00 12.17 ? 7   DT  D C7    1 
ATOM   2254 C C6    . DT  D 2 7   ? 10.337  13.856  23.827  1.00 11.22 ? 7   DT  D C6    1 
ATOM   2255 P P     . DG  D 2 8   ? 11.707  16.923  29.673  1.00 13.42 ? 8   DG  D P     1 
ATOM   2256 O OP1   . DG  D 2 8   ? 11.882  16.104  30.894  1.00 20.91 ? 8   DG  D OP1   1 
ATOM   2257 O OP2   . DG  D 2 8   ? 10.755  18.055  29.633  1.00 14.32 ? 8   DG  D OP2   1 
ATOM   2258 O "O5'" . DG  D 2 8   ? 13.104  17.534  29.224  1.00 10.85 ? 8   DG  D "O5'" 1 
ATOM   2259 C "C5'" . DG  D 2 8   ? 14.192  16.641  28.971  1.00 9.17  ? 8   DG  D "C5'" 1 
ATOM   2260 C "C4'" . DG  D 2 8   ? 15.419  17.068  29.736  1.00 9.09  ? 8   DG  D "C4'" 1 
ATOM   2261 O "O4'" . DG  D 2 8   ? 15.840  18.368  29.273  1.00 12.91 ? 8   DG  D "O4'" 1 
ATOM   2262 C "C3'" . DG  D 2 8   ? 15.203  17.177  31.243  1.00 18.69 ? 8   DG  D "C3'" 1 
ATOM   2263 O "O3'" . DG  D 2 8   ? 15.756  16.052  31.818  1.00 24.15 ? 8   DG  D "O3'" 1 
ATOM   2264 C "C2'" . DG  D 2 8   ? 15.996  18.421  31.653  1.00 18.54 ? 8   DG  D "C2'" 1 
ATOM   2265 C "C1'" . DG  D 2 8   ? 16.247  19.183  30.344  1.00 11.15 ? 8   DG  D "C1'" 1 
ATOM   2266 N N9    . DG  D 2 8   ? 15.494  20.433  30.285  1.00 9.58  ? 8   DG  D N9    1 
ATOM   2267 C C8    . DG  D 2 8   ? 14.245  20.632  29.739  1.00 11.77 ? 8   DG  D C8    1 
ATOM   2268 N N7    . DG  D 2 8   ? 13.819  21.859  29.854  1.00 14.10 ? 8   DG  D N7    1 
ATOM   2269 C C5    . DG  D 2 8   ? 14.848  22.511  30.515  1.00 13.88 ? 8   DG  D C5    1 
ATOM   2270 C C6    . DG  D 2 8   ? 14.960  23.862  30.922  1.00 17.38 ? 8   DG  D C6    1 
ATOM   2271 O O6    . DG  D 2 8   ? 14.146  24.788  30.764  1.00 12.69 ? 8   DG  D O6    1 
ATOM   2272 N N1    . DG  D 2 8   ? 16.174  24.104  31.556  1.00 10.75 ? 8   DG  D N1    1 
ATOM   2273 C C2    . DG  D 2 8   ? 17.142  23.168  31.789  1.00 7.38  ? 8   DG  D C2    1 
ATOM   2274 N N2    . DG  D 2 8   ? 18.244  23.603  32.418  1.00 7.16  ? 8   DG  D N2    1 
ATOM   2275 N N3    . DG  D 2 8   ? 17.054  21.897  31.413  1.00 7.48  ? 8   DG  D N3    1 
ATOM   2276 C C4    . DG  D 2 8   ? 15.884  21.643  30.786  1.00 7.99  ? 8   DG  D C4    1 
ATOM   2277 P P     . DT  D 2 9   ? 15.750  15.774  33.396  1.00 18.29 ? 9   DT  D P     1 
ATOM   2278 O OP1   . DT  D 2 9   ? 15.010  14.507  33.537  1.00 20.50 ? 9   DT  D OP1   1 
ATOM   2279 O OP2   . DT  D 2 9   ? 15.392  16.910  34.249  1.00 16.85 ? 9   DT  D OP2   1 
ATOM   2280 O "O5'" . DT  D 2 9   ? 17.295  15.486  33.624  1.00 10.97 ? 9   DT  D "O5'" 1 
ATOM   2281 C "C5'" . DT  D 2 9   ? 17.951  14.601  32.745  1.00 11.25 ? 9   DT  D "C5'" 1 
ATOM   2282 C "C4'" . DT  D 2 9   ? 19.291  14.182  33.306  1.00 12.69 ? 9   DT  D "C4'" 1 
ATOM   2283 O "O4'" . DT  D 2 9   ? 20.218  15.295  33.228  1.00 8.36  ? 9   DT  D "O4'" 1 
ATOM   2284 C "C3'" . DT  D 2 9   ? 19.263  13.751  34.774  1.00 16.78 ? 9   DT  D "C3'" 1 
ATOM   2285 O "O3'" . DT  D 2 9   ? 20.242  12.719  34.993  1.00 14.87 ? 9   DT  D "O3'" 1 
ATOM   2286 C "C2'" . DT  D 2 9   ? 19.662  15.043  35.490  1.00 13.90 ? 9   DT  D "C2'" 1 
ATOM   2287 C "C1'" . DT  D 2 9   ? 20.710  15.574  34.516  1.00 7.84  ? 9   DT  D "C1'" 1 
ATOM   2288 N N1    . DT  D 2 9   ? 20.980  17.019  34.607  1.00 7.11  ? 9   DT  D N1    1 
ATOM   2289 C C2    . DT  D 2 9   ? 21.924  17.447  35.493  1.00 8.02  ? 9   DT  D C2    1 
ATOM   2290 O O2    . DT  D 2 9   ? 22.524  16.694  36.238  1.00 10.29 ? 9   DT  D O2    1 
ATOM   2291 N N3    . DT  D 2 9   ? 22.138  18.791  35.494  1.00 7.36  ? 9   DT  D N3    1 
ATOM   2292 C C4    . DT  D 2 9   ? 21.503  19.738  34.714  1.00 6.85  ? 9   DT  D C4    1 
ATOM   2293 O O4    . DT  D 2 9   ? 21.770  20.934  34.799  1.00 7.11  ? 9   DT  D O4    1 
ATOM   2294 C C5    . DT  D 2 9   ? 20.520  19.222  33.792  1.00 9.38  ? 9   DT  D C5    1 
ATOM   2295 C C7    . DT  D 2 9   ? 19.773  20.152  32.876  1.00 7.34  ? 9   DT  D C7    1 
ATOM   2296 C C6    . DT  D 2 9   ? 20.308  17.898  33.782  1.00 9.84  ? 9   DT  D C6    1 
ATOM   2297 P P     . DG  D 2 10  ? 19.818  11.167  34.926  1.00 17.04 ? 10  DG  D P     1 
ATOM   2298 O OP1   . DG  D 2 10  ? 18.431  11.016  35.410  1.00 19.47 ? 10  DG  D OP1   1 
ATOM   2299 O OP2   . DG  D 2 10  ? 20.920  10.423  35.561  1.00 11.60 ? 10  DG  D OP2   1 
ATOM   2300 O "O5'" . DG  D 2 10  ? 19.722  10.864  33.364  1.00 16.54 ? 10  DG  D "O5'" 1 
ATOM   2301 C "C5'" . DG  D 2 10  ? 20.879  10.627  32.578  1.00 19.40 ? 10  DG  D "C5'" 1 
ATOM   2302 C "C4'" . DG  D 2 10  ? 20.452  10.054  31.238  1.00 7.65  ? 10  DG  D "C4'" 1 
ATOM   2303 O "O4'" . DG  D 2 10  ? 19.630  11.020  30.538  1.00 8.42  ? 10  DG  D "O4'" 1 
ATOM   2304 C "C3'" . DG  D 2 10  ? 21.564  9.689   30.278  1.00 7.63  ? 10  DG  D "C3'" 1 
ATOM   2305 O "O3'" . DG  D 2 10  ? 21.111  8.587   29.512  1.00 9.11  ? 10  DG  D "O3'" 1 
ATOM   2306 C "C2'" . DG  D 2 10  ? 21.686  10.960  29.428  1.00 6.53  ? 10  DG  D "C2'" 1 
ATOM   2307 C "C1'" . DG  D 2 10  ? 20.217  11.350  29.303  1.00 8.65  ? 10  DG  D "C1'" 1 
ATOM   2308 N N9    . DG  D 2 10  ? 19.973  12.763  29.050  1.00 9.25  ? 10  DG  D N9    1 
ATOM   2309 C C8    . DG  D 2 10  ? 19.052  13.302  28.188  1.00 9.05  ? 10  DG  D C8    1 
ATOM   2310 N N7    . DG  D 2 10  ? 19.047  14.612  28.184  1.00 5.85  ? 10  DG  D N7    1 
ATOM   2311 C C5    . DG  D 2 10  ? 20.020  14.958  29.112  1.00 6.39  ? 10  DG  D C5    1 
ATOM   2312 C C6    . DG  D 2 10  ? 20.475  16.238  29.532  1.00 6.95  ? 10  DG  D C6    1 
ATOM   2313 O O6    . DG  D 2 10  ? 20.087  17.345  29.157  1.00 7.32  ? 10  DG  D O6    1 
ATOM   2314 N N1    . DG  D 2 10  ? 21.493  16.144  30.493  1.00 5.53  ? 10  DG  D N1    1 
ATOM   2315 C C2    . DG  D 2 10  ? 21.998  14.958  30.974  1.00 10.16 ? 10  DG  D C2    1 
ATOM   2316 N N2    . DG  D 2 10  ? 22.963  15.049  31.898  1.00 6.34  ? 10  DG  D N2    1 
ATOM   2317 N N3    . DG  D 2 10  ? 21.572  13.752  30.583  1.00 7.43  ? 10  DG  D N3    1 
ATOM   2318 C C4    . DG  D 2 10  ? 20.599  13.830  29.653  1.00 9.49  ? 10  DG  D C4    1 
ATOM   2319 P P     . DG  D 2 11  ? 22.074  7.830   28.494  1.00 7.70  ? 11  DG  D P     1 
ATOM   2320 O OP1   . DG  D 2 11  ? 21.533  6.456   28.329  1.00 8.37  ? 11  DG  D OP1   1 
ATOM   2321 O OP2   . DG  D 2 11  ? 23.478  8.048   28.891  1.00 10.80 ? 11  DG  D OP2   1 
ATOM   2322 O "O5'" . DG  D 2 11  ? 21.910  8.642   27.137  1.00 8.02  ? 11  DG  D "O5'" 1 
ATOM   2323 C "C5'" . DG  D 2 11  ? 20.679  8.643   26.425  1.00 6.65  ? 11  DG  D "C5'" 1 
ATOM   2324 C "C4'" . DG  D 2 11  ? 20.745  9.643   25.289  1.00 8.25  ? 11  DG  D "C4'" 1 
ATOM   2325 O "O4'" . DG  D 2 11  ? 20.697  10.984  25.823  1.00 10.15 ? 11  DG  D "O4'" 1 
ATOM   2326 C "C3'" . DG  D 2 11  ? 22.011  9.573   24.397  1.00 8.63  ? 11  DG  D "C3'" 1 
ATOM   2327 O "O3'" . DG  D 2 11  ? 21.615  9.331   23.062  1.00 6.71  ? 11  DG  D "O3'" 1 
ATOM   2328 C "C2'" . DG  D 2 11  ? 22.648  10.954  24.541  1.00 5.86  ? 11  DG  D "C2'" 1 
ATOM   2329 C "C1'" . DG  D 2 11  ? 21.454  11.808  24.988  1.00 9.20  ? 11  DG  D "C1'" 1 
ATOM   2330 N N9    . DG  D 2 11  ? 21.855  12.996  25.713  1.00 8.24  ? 11  DG  D N9    1 
ATOM   2331 C C8    . DG  D 2 11  ? 22.833  13.092  26.673  1.00 7.56  ? 11  DG  D C8    1 
ATOM   2332 N N7    . DG  D 2 11  ? 22.998  14.301  27.120  1.00 5.32  ? 11  DG  D N7    1 
ATOM   2333 C C5    . DG  D 2 11  ? 22.072  15.051  26.415  1.00 5.09  ? 11  DG  D C5    1 
ATOM   2334 C C6    . DG  D 2 11  ? 21.799  16.442  26.468  1.00 8.61  ? 11  DG  D C6    1 
ATOM   2335 O O6    . DG  D 2 11  ? 22.348  17.301  27.183  1.00 6.64  ? 11  DG  D O6    1 
ATOM   2336 N N1    . DG  D 2 11  ? 20.782  16.805  25.585  1.00 8.35  ? 11  DG  D N1    1 
ATOM   2337 C C2    . DG  D 2 11  ? 20.114  15.935  24.757  1.00 5.77  ? 11  DG  D C2    1 
ATOM   2338 N N2    . DG  D 2 11  ? 19.171  16.461  23.978  1.00 5.61  ? 11  DG  D N2    1 
ATOM   2339 N N3    . DG  D 2 11  ? 20.378  14.637  24.684  1.00 7.15  ? 11  DG  D N3    1 
ATOM   2340 C C4    . DG  D 2 11  ? 21.368  14.269  25.539  1.00 5.68  ? 11  DG  D C4    1 
ATOM   2341 P P     . DT  D 2 12  ? 22.127  8.059   22.226  1.00 8.93  ? 12  DT  D P     1 
ATOM   2342 O OP1   . DT  D 2 12  ? 21.437  8.161   20.935  1.00 10.32 ? 12  DT  D OP1   1 
ATOM   2343 O OP2   . DT  D 2 12  ? 22.005  6.828   23.030  1.00 7.26  ? 12  DT  D OP2   1 
ATOM   2344 O "O5'" . DT  D 2 12  ? 23.674  8.329   21.925  1.00 12.86 ? 12  DT  D "O5'" 1 
ATOM   2345 C "C5'" . DT  D 2 12  ? 24.673  7.975   22.868  1.00 7.48  ? 12  DT  D "C5'" 1 
ATOM   2346 C "C4'" . DT  D 2 12  ? 26.025  7.883   22.181  1.00 8.18  ? 12  DT  D "C4'" 1 
ATOM   2347 O "O4'" . DT  D 2 12  ? 25.976  6.813   21.215  1.00 8.73  ? 12  DT  D "O4'" 1 
ATOM   2348 C "C3'" . DT  D 2 12  ? 26.413  9.104   21.362  1.00 11.53 ? 12  DT  D "C3'" 1 
ATOM   2349 O "O3'" . DT  D 2 12  ? 27.090  10.044  22.185  1.00 8.16  ? 12  DT  D "O3'" 1 
ATOM   2350 C "C2'" . DT  D 2 12  ? 27.343  8.529   20.298  1.00 15.64 ? 12  DT  D "C2'" 1 
ATOM   2351 C "C1'" . DT  D 2 12  ? 26.832  7.097   20.131  1.00 10.09 ? 12  DT  D "C1'" 1 
ATOM   2352 N N1    . DT  D 2 12  ? 26.076  6.913   18.908  1.00 9.64  ? 12  DT  D N1    1 
ATOM   2353 C C2    . DT  D 2 12  ? 26.634  6.190   17.890  1.00 13.72 ? 12  DT  D C2    1 
ATOM   2354 O O2    . DT  D 2 12  ? 27.740  5.684   17.961  1.00 13.27 ? 12  DT  D O2    1 
ATOM   2355 N N3    . DT  D 2 12  ? 25.847  6.070   16.775  1.00 17.13 ? 12  DT  D N3    1 
ATOM   2356 C C4    . DT  D 2 12  ? 24.585  6.603   16.578  1.00 12.84 ? 12  DT  D C4    1 
ATOM   2357 O O4    . DT  D 2 12  ? 23.958  6.434   15.532  1.00 16.25 ? 12  DT  D O4    1 
ATOM   2358 C C5    . DT  D 2 12  ? 24.051  7.366   17.684  1.00 13.99 ? 12  DT  D C5    1 
ATOM   2359 C C7    . DT  D 2 12  ? 22.693  7.988   17.570  1.00 8.27  ? 12  DT  D C7    1 
ATOM   2360 C C6    . DT  D 2 12  ? 24.807  7.486   18.793  1.00 8.54  ? 12  DT  D C6    1 
ATOM   2361 P P     . DT  D 2 13  ? 26.615  11.577  22.294  1.00 8.37  ? 13  DT  D P     1 
ATOM   2362 O OP1   . DT  D 2 13  ? 25.148  11.644  22.181  1.00 8.36  ? 13  DT  D OP1   1 
ATOM   2363 O OP2   . DT  D 2 13  ? 27.429  12.374  21.338  1.00 10.19 ? 13  DT  D OP2   1 
ATOM   2364 O "O5'" . DT  D 2 13  ? 27.082  11.910  23.786  1.00 8.46  ? 13  DT  D "O5'" 1 
ATOM   2365 C "C5'" . DT  D 2 13  ? 28.402  12.350  24.037  1.00 9.79  ? 13  DT  D "C5'" 1 
ATOM   2366 C "C4'" . DT  D 2 13  ? 28.431  13.352  25.177  1.00 8.03  ? 13  DT  D "C4'" 1 
ATOM   2367 O "O4'" . DT  D 2 13  ? 27.702  14.544  24.790  1.00 10.77 ? 13  DT  D "O4'" 1 
ATOM   2368 C "C3'" . DT  D 2 13  ? 27.761  12.898  26.484  1.00 11.96 ? 13  DT  D "C3'" 1 
ATOM   2369 O "O3'" . DT  D 2 13  ? 28.383  13.598  27.540  1.00 15.60 ? 13  DT  D "O3'" 1 
ATOM   2370 C "C2'" . DT  D 2 13  ? 26.338  13.413  26.296  1.00 8.00  ? 13  DT  D "C2'" 1 
ATOM   2371 C "C1'" . DT  D 2 13  ? 26.665  14.779  25.722  1.00 6.50  ? 13  DT  D "C1'" 1 
ATOM   2372 N N1    . DT  D 2 13  ? 25.545  15.418  24.993  1.00 8.53  ? 13  DT  D N1    1 
ATOM   2373 C C2    . DT  D 2 13  ? 25.298  16.751  25.221  1.00 12.02 ? 13  DT  D C2    1 
ATOM   2374 O O2    . DT  D 2 13  ? 25.941  17.407  26.014  1.00 8.19  ? 13  DT  D O2    1 
ATOM   2375 N N3    . DT  D 2 13  ? 24.270  17.289  24.482  1.00 8.03  ? 13  DT  D N3    1 
ATOM   2376 C C4    . DT  D 2 13  ? 23.472  16.623  23.570  1.00 7.83  ? 13  DT  D C4    1 
ATOM   2377 O O4    . DT  D 2 13  ? 22.567  17.184  22.970  1.00 10.10 ? 13  DT  D O4    1 
ATOM   2378 C C5    . DT  D 2 13  ? 23.788  15.215  23.372  1.00 7.73  ? 13  DT  D C5    1 
ATOM   2379 C C7    . DT  D 2 13  ? 22.996  14.389  22.391  1.00 6.26  ? 13  DT  D C7    1 
ATOM   2380 C C6    . DT  D 2 13  ? 24.808  14.689  24.083  1.00 7.65  ? 13  DT  D C6    1 
ATOM   2381 P P     . DG  D 2 14  ? 29.463  12.895  28.484  1.00 19.81 ? 14  DG  D P     1 
ATOM   2382 O OP1   . DG  D 2 14  ? 30.684  12.660  27.699  1.00 21.95 ? 14  DG  D OP1   1 
ATOM   2383 O OP2   . DG  D 2 14  ? 28.804  11.749  29.146  1.00 16.25 ? 14  DG  D OP2   1 
ATOM   2384 O "O5'" . DG  D 2 14  ? 29.795  14.042  29.548  1.00 17.41 ? 14  DG  D "O5'" 1 
ATOM   2385 C "C5'" . DG  D 2 14  ? 28.904  14.357  30.591  1.00 16.73 ? 14  DG  D "C5'" 1 
ATOM   2386 C "C4'" . DG  D 2 14  ? 29.597  15.270  31.598  1.00 16.97 ? 14  DG  D "C4'" 1 
ATOM   2387 O "O4'" . DG  D 2 14  ? 29.463  16.655  31.187  1.00 14.70 ? 14  DG  D "O4'" 1 
ATOM   2388 C "C3'" . DG  D 2 14  ? 29.063  15.221  33.008  1.00 11.16 ? 14  DG  D "C3'" 1 
ATOM   2389 O "O3'" . DG  D 2 14  ? 30.097  15.607  33.883  1.00 12.60 ? 14  DG  D "O3'" 1 
ATOM   2390 C "C2'" . DG  D 2 14  ? 27.961  16.274  32.960  1.00 8.56  ? 14  DG  D "C2'" 1 
ATOM   2391 C "C1'" . DG  D 2 14  ? 28.627  17.338  32.091  1.00 9.25  ? 14  DG  D "C1'" 1 
ATOM   2392 N N9    . DG  D 2 14  ? 27.697  18.153  31.311  1.00 10.96 ? 14  DG  D N9    1 
ATOM   2393 C C8    . DG  D 2 14  ? 27.682  19.528  31.232  1.00 9.65  ? 14  DG  D C8    1 
ATOM   2394 N N7    . DG  D 2 14  ? 26.760  19.995  30.435  1.00 8.75  ? 14  DG  D N7    1 
ATOM   2395 C C5    . DG  D 2 14  ? 26.121  18.860  29.944  1.00 11.55 ? 14  DG  D C5    1 
ATOM   2396 C C6    . DG  D 2 14  ? 25.028  18.741  29.046  1.00 10.03 ? 14  DG  D C6    1 
ATOM   2397 O O6    . DG  D 2 14  ? 24.388  19.649  28.483  1.00 9.12  ? 14  DG  D O6    1 
ATOM   2398 N N1    . DG  D 2 14  ? 24.689  17.402  28.822  1.00 8.49  ? 14  DG  D N1    1 
ATOM   2399 C C2    . DG  D 2 14  ? 25.315  16.322  29.395  1.00 9.78  ? 14  DG  D C2    1 
ATOM   2400 N N2    . DG  D 2 14  ? 24.841  15.106  29.052  1.00 9.66  ? 14  DG  D N2    1 
ATOM   2401 N N3    . DG  D 2 14  ? 26.331  16.420  30.242  1.00 7.99  ? 14  DG  D N3    1 
ATOM   2402 C C4    . DG  D 2 14  ? 26.689  17.712  30.464  1.00 7.28  ? 14  DG  D C4    1 
ATOM   2403 P P     . DG  D 2 15  ? 29.909  15.438  35.462  1.00 13.34 ? 15  DG  D P     1 
ATOM   2404 O OP1   . DG  D 2 15  ? 31.262  15.583  36.039  1.00 13.31 ? 15  DG  D OP1   1 
ATOM   2405 O OP2   . DG  D 2 15  ? 29.090  14.246  35.755  1.00 15.17 ? 15  DG  D OP2   1 
ATOM   2406 O "O5'" . DG  D 2 15  ? 29.023  16.697  35.871  1.00 10.85 ? 15  DG  D "O5'" 1 
ATOM   2407 C "C5'" . DG  D 2 15  ? 29.596  17.998  35.881  1.00 10.94 ? 15  DG  D "C5'" 1 
ATOM   2408 C "C4'" . DG  D 2 15  ? 28.529  19.009  36.193  1.00 10.13 ? 15  DG  D "C4'" 1 
ATOM   2409 O "O4'" . DG  D 2 15  ? 27.643  19.121  35.045  1.00 9.90  ? 15  DG  D "O4'" 1 
ATOM   2410 C "C3'" . DG  D 2 15  ? 27.634  18.620  37.387  1.00 10.45 ? 15  DG  D "C3'" 1 
ATOM   2411 O "O3'" . DG  D 2 15  ? 27.422  19.750  38.237  1.00 10.72 ? 15  DG  D "O3'" 1 
ATOM   2412 C "C2'" . DG  D 2 15  ? 26.331  18.171  36.710  1.00 9.36  ? 15  DG  D "C2'" 1 
ATOM   2413 C "C1'" . DG  D 2 15  ? 26.321  19.110  35.510  1.00 8.43  ? 15  DG  D "C1'" 1 
ATOM   2414 N N9    . DG  D 2 15  ? 25.398  18.724  34.433  1.00 7.51  ? 15  DG  D N9    1 
ATOM   2415 C C8    . DG  D 2 15  ? 24.966  17.459  34.117  1.00 7.38  ? 15  DG  D C8    1 
ATOM   2416 N N7    . DG  D 2 15  ? 24.131  17.430  33.104  1.00 6.65  ? 15  DG  D N7    1 
ATOM   2417 C C5    . DG  D 2 15  ? 23.997  18.759  32.733  1.00 6.33  ? 15  DG  D C5    1 
ATOM   2418 C C6    . DG  D 2 15  ? 23.225  19.339  31.704  1.00 5.83  ? 15  DG  D C6    1 
ATOM   2419 O O6    . DG  D 2 15  ? 22.466  18.770  30.904  1.00 7.49  ? 15  DG  D O6    1 
ATOM   2420 N N1    . DG  D 2 15  ? 23.383  20.730  31.653  1.00 5.91  ? 15  DG  D N1    1 
ATOM   2421 C C2    . DG  D 2 15  ? 24.198  21.452  32.480  1.00 11.27 ? 15  DG  D C2    1 
ATOM   2422 N N2    . DG  D 2 15  ? 24.234  22.777  32.266  1.00 6.48  ? 15  DG  D N2    1 
ATOM   2423 N N3    . DG  D 2 15  ? 24.942  20.914  33.447  1.00 7.69  ? 15  DG  D N3    1 
ATOM   2424 C C4    . DG  D 2 15  ? 24.784  19.570  33.523  1.00 8.27  ? 15  DG  D C4    1 
HETATM 2425 K K     . K   E 3 .   ? -11.426 -3.275  30.245  1.00 17.31 ? 201 K   A K     1 
HETATM 2426 C C1    . EDO F 4 .   ? -2.772  -11.864 26.343  1.00 53.03 ? 202 EDO A C1    1 
HETATM 2427 O O1    . EDO F 4 .   ? -2.221  -12.684 27.379  1.00 54.30 ? 202 EDO A O1    1 
HETATM 2428 C C2    . EDO F 4 .   ? -3.839  -10.946 26.923  1.00 54.47 ? 202 EDO A C2    1 
HETATM 2429 O O2    . EDO F 4 .   ? -4.664  -10.443 25.863  1.00 56.92 ? 202 EDO A O2    1 
HETATM 2430 K K     . K   G 3 .   ? 27.845  25.321  -6.333  1.00 11.06 ? 101 K   C K     1 
HETATM 2431 K K     . K   H 3 .   ? 21.540  19.515  28.503  1.00 6.22  ? 101 K   D K     1 
HETATM 2432 O O     . HOH I 5 .   ? 14.540  -6.694  35.838  1.00 14.59 ? 301 HOH A O     1 
HETATM 2433 O O     . HOH I 5 .   ? 10.120  1.938   34.448  1.00 14.62 ? 302 HOH A O     1 
HETATM 2434 O O     . HOH I 5 .   ? 0.142   1.949   20.258  1.00 30.02 ? 303 HOH A O     1 
HETATM 2435 O O     . HOH I 5 .   ? 14.797  -1.103  13.999  1.00 22.58 ? 304 HOH A O     1 
HETATM 2436 O O     . HOH I 5 .   ? 15.896  -13.109 32.511  1.00 15.21 ? 305 HOH A O     1 
HETATM 2437 O O     . HOH I 5 .   ? 2.848   1.145   38.395  1.00 15.34 ? 306 HOH A O     1 
HETATM 2438 O O     . HOH I 5 .   ? 26.923  -6.631  14.483  1.00 28.11 ? 307 HOH A O     1 
HETATM 2439 O O     . HOH I 5 .   ? 24.537  -3.487  12.285  1.00 40.88 ? 308 HOH A O     1 
HETATM 2440 O O     . HOH I 5 .   ? 30.614  -6.868  21.493  1.00 18.54 ? 309 HOH A O     1 
HETATM 2441 O O     . HOH I 5 .   ? 23.938  -2.177  15.830  1.00 18.24 ? 310 HOH A O     1 
HETATM 2442 O O     . HOH I 5 .   ? -1.924  -5.375  17.821  1.00 25.17 ? 311 HOH A O     1 
HETATM 2443 O O     . HOH I 5 .   ? 22.712  -12.305 35.804  1.00 28.02 ? 312 HOH A O     1 
HETATM 2444 O O     . HOH I 5 .   ? 20.991  -3.753  10.651  1.00 31.05 ? 313 HOH A O     1 
HETATM 2445 O O     . HOH I 5 .   ? 10.649  -12.685 31.491  1.00 29.87 ? 314 HOH A O     1 
HETATM 2446 O O     . HOH I 5 .   ? 16.005  1.715   16.329  1.00 37.35 ? 315 HOH A O     1 
HETATM 2447 O O     . HOH I 5 .   ? 30.103  -7.346  23.763  1.00 21.36 ? 316 HOH A O     1 
HETATM 2448 O O     . HOH I 5 .   ? 24.296  -8.064  18.174  1.00 16.97 ? 317 HOH A O     1 
HETATM 2449 O O     . HOH I 5 .   ? 25.998  3.231   29.168  1.00 15.25 ? 318 HOH A O     1 
HETATM 2450 O O     . HOH I 5 .   ? 25.851  -11.052 26.552  1.00 19.00 ? 319 HOH A O     1 
HETATM 2451 O O     . HOH I 5 .   ? 19.975  -15.137 26.237  1.00 9.31  ? 320 HOH A O     1 
HETATM 2452 O O     . HOH I 5 .   ? 14.719  -13.839 16.329  1.00 13.85 ? 321 HOH A O     1 
HETATM 2453 O O     . HOH I 5 .   ? 14.398  -0.632  34.342  1.00 26.77 ? 322 HOH A O     1 
HETATM 2454 O O     . HOH I 5 .   ? 4.982   4.458   21.907  1.00 32.55 ? 323 HOH A O     1 
HETATM 2455 O O     . HOH I 5 .   ? 0.141   -14.177 30.242  1.00 22.18 ? 324 HOH A O     1 
HETATM 2456 O O     . HOH I 5 .   ? 3.205   -11.752 17.737  1.00 22.71 ? 325 HOH A O     1 
HETATM 2457 O O     . HOH I 5 .   ? 3.747   -13.905 30.650  1.00 15.17 ? 326 HOH A O     1 
HETATM 2458 O O     . HOH I 5 .   ? 16.956  4.592   31.337  1.00 12.14 ? 327 HOH A O     1 
HETATM 2459 O O     . HOH I 5 .   ? 19.109  1.798   31.232  1.00 24.21 ? 328 HOH A O     1 
HETATM 2460 O O     . HOH I 5 .   ? 12.418  -14.006 27.190  1.00 15.21 ? 329 HOH A O     1 
HETATM 2461 O O     . HOH I 5 .   ? -1.572  -8.926  35.992  1.00 28.35 ? 330 HOH A O     1 
HETATM 2462 O O     . HOH I 5 .   ? 17.587  -2.305  16.588  1.00 18.85 ? 331 HOH A O     1 
HETATM 2463 O O     . HOH I 5 .   ? 0.483   0.986   17.891  1.00 17.40 ? 332 HOH A O     1 
HETATM 2464 O O     . HOH I 5 .   ? 13.215  -4.105  35.851  1.00 24.67 ? 333 HOH A O     1 
HETATM 2465 O O     . HOH I 5 .   ? 14.280  -2.763  33.185  1.00 11.67 ? 334 HOH A O     1 
HETATM 2466 O O     . HOH I 5 .   ? 11.137  -15.866 18.729  1.00 29.19 ? 335 HOH A O     1 
HETATM 2467 O O     . HOH I 5 .   ? -0.023  6.195   33.558  1.00 25.67 ? 336 HOH A O     1 
HETATM 2468 O O     . HOH I 5 .   ? 2.797   -0.156  11.060  1.00 30.51 ? 337 HOH A O     1 
HETATM 2469 O O     . HOH I 5 .   ? 24.628  0.423   19.040  1.00 8.92  ? 338 HOH A O     1 
HETATM 2470 O O     . HOH I 5 .   ? 9.769   -10.424 32.740  1.00 14.91 ? 339 HOH A O     1 
HETATM 2471 O O     . HOH I 5 .   ? 4.257   4.831   13.343  1.00 27.76 ? 340 HOH A O     1 
HETATM 2472 O O     . HOH I 5 .   ? 5.595   -9.516  32.798  1.00 6.55  ? 341 HOH A O     1 
HETATM 2473 O O     . HOH I 5 .   ? 16.614  -14.339 30.096  1.00 17.18 ? 342 HOH A O     1 
HETATM 2474 O O     . HOH I 5 .   ? 15.999  4.937   18.051  1.00 24.84 ? 343 HOH A O     1 
HETATM 2475 O O     . HOH I 5 .   ? -8.485  2.950   33.019  1.00 30.59 ? 344 HOH A O     1 
HETATM 2476 O O     . HOH I 5 .   ? 23.354  -10.470 10.040  1.00 28.24 ? 345 HOH A O     1 
HETATM 2477 O O     . HOH I 5 .   ? 29.729  0.128   19.824  1.00 40.00 ? 346 HOH A O     1 
HETATM 2478 O O     . HOH I 5 .   ? -7.016  -1.655  26.129  1.00 20.26 ? 347 HOH A O     1 
HETATM 2479 O O     . HOH I 5 .   ? 18.364  7.511   29.289  1.00 19.97 ? 348 HOH A O     1 
HETATM 2480 O O     . HOH I 5 .   ? 0.534   4.915   25.779  1.00 18.85 ? 349 HOH A O     1 
HETATM 2481 O O     . HOH I 5 .   ? -8.703  -1.341  28.322  1.00 21.35 ? 350 HOH A O     1 
HETATM 2482 O O     . HOH I 5 .   ? 3.245   3.647   39.427  1.00 30.62 ? 351 HOH A O     1 
HETATM 2483 O O     . HOH I 5 .   ? -3.031  -6.352  37.378  1.00 19.40 ? 352 HOH A O     1 
HETATM 2484 O O     . HOH I 5 .   ? 27.977  -10.252 19.379  1.00 15.08 ? 353 HOH A O     1 
HETATM 2485 O O     . HOH I 5 .   ? 24.635  -8.306  25.855  1.00 9.69  ? 354 HOH A O     1 
HETATM 2486 O O     . HOH I 5 .   ? 20.390  5.755   19.862  1.00 12.63 ? 355 HOH A O     1 
HETATM 2487 O O     . HOH I 5 .   ? 0.388   -12.370 26.321  1.00 25.48 ? 356 HOH A O     1 
HETATM 2488 O O     . HOH I 5 .   ? -0.447  0.641   22.536  1.00 23.94 ? 357 HOH A O     1 
HETATM 2489 O O     . HOH I 5 .   ? 17.031  -16.575 22.504  1.00 20.61 ? 358 HOH A O     1 
HETATM 2490 O O     . HOH I 5 .   ? -6.253  6.030   30.531  1.00 33.60 ? 359 HOH A O     1 
HETATM 2491 O O     . HOH I 5 .   ? -3.562  4.055   34.532  1.00 26.54 ? 360 HOH A O     1 
HETATM 2492 O O     . HOH I 5 .   ? 5.456   5.706   36.261  1.00 30.30 ? 361 HOH A O     1 
HETATM 2493 O O     . HOH I 5 .   ? 27.669  -9.096  26.749  1.00 16.79 ? 362 HOH A O     1 
HETATM 2494 O O     . HOH I 5 .   ? -11.310 -5.929  32.039  1.00 27.64 ? 363 HOH A O     1 
HETATM 2495 O O     . HOH I 5 .   ? -0.295  3.109   39.916  1.00 25.81 ? 364 HOH A O     1 
HETATM 2496 O O     . HOH I 5 .   ? 4.655   8.326   29.664  1.00 18.52 ? 365 HOH A O     1 
HETATM 2497 O O     . HOH I 5 .   ? 24.336  -16.448 22.425  1.00 33.45 ? 366 HOH A O     1 
HETATM 2498 O O     . HOH I 5 .   ? 25.805  -16.727 15.631  1.00 36.62 ? 367 HOH A O     1 
HETATM 2499 O O     . HOH I 5 .   ? 1.458   -12.987 23.675  1.00 15.98 ? 368 HOH A O     1 
HETATM 2500 O O     . HOH I 5 .   ? -7.876  8.286   25.822  1.00 26.64 ? 369 HOH A O     1 
HETATM 2501 O O     . HOH I 5 .   ? 21.896  0.789   30.604  1.00 20.50 ? 370 HOH A O     1 
HETATM 2502 O O     . HOH I 5 .   ? 3.394   -14.345 20.150  1.00 38.18 ? 371 HOH A O     1 
HETATM 2503 O O     . HOH I 5 .   ? 5.273   8.070   21.324  1.00 25.63 ? 372 HOH A O     1 
HETATM 2504 O O     . HOH I 5 .   ? 11.699  6.692   30.778  1.00 18.08 ? 373 HOH A O     1 
HETATM 2505 O O     . HOH I 5 .   ? 6.726   6.678   19.078  1.00 19.00 ? 374 HOH A O     1 
HETATM 2506 O O     . HOH I 5 .   ? -6.763  -10.426 27.896  1.00 24.76 ? 375 HOH A O     1 
HETATM 2507 O O     . HOH I 5 .   ? -1.424  -2.983  13.252  1.00 20.33 ? 376 HOH A O     1 
HETATM 2508 O O     . HOH I 5 .   ? 21.517  -3.436  22.965  1.00 10.44 ? 377 HOH A O     1 
HETATM 2509 O O     . HOH I 5 .   ? 26.632  2.249   17.198  1.00 27.80 ? 378 HOH A O     1 
HETATM 2510 O O     . HOH I 5 .   ? 0.669   7.371   26.679  1.00 20.52 ? 379 HOH A O     1 
HETATM 2511 O O     . HOH I 5 .   ? -7.347  -0.505  37.719  1.00 28.95 ? 380 HOH A O     1 
HETATM 2512 O O     . HOH I 5 .   ? -1.440  4.748   13.964  1.00 30.94 ? 381 HOH A O     1 
HETATM 2513 O O     . HOH I 5 .   ? 1.415   -7.633  36.453  1.00 13.04 ? 382 HOH A O     1 
HETATM 2514 O O     . HOH I 5 .   ? 17.054  9.601   26.980  1.00 16.84 ? 383 HOH A O     1 
HETATM 2515 O O     . HOH I 5 .   ? 21.980  2.053   15.143  1.00 25.81 ? 384 HOH A O     1 
HETATM 2516 O O     . HOH I 5 .   ? -3.538  -0.678  39.905  1.00 27.69 ? 385 HOH A O     1 
HETATM 2517 O O     . HOH I 5 .   ? 9.827   4.663   35.197  1.00 33.67 ? 386 HOH A O     1 
HETATM 2518 O O     . HOH I 5 .   ? 6.214   14.289  21.059  1.00 32.16 ? 387 HOH A O     1 
HETATM 2519 O O     . HOH I 5 .   ? 17.566  -8.786  8.184   1.00 29.41 ? 388 HOH A O     1 
HETATM 2520 O O     . HOH I 5 .   ? 16.186  -10.166 36.671  1.00 36.05 ? 389 HOH A O     1 
HETATM 2521 O O     . HOH I 5 .   ? 7.911   4.946   36.698  1.00 27.59 ? 390 HOH A O     1 
HETATM 2522 O O     . HOH I 5 .   ? -3.669  2.737   22.037  1.00 24.38 ? 391 HOH A O     1 
HETATM 2523 O O     . HOH I 5 .   ? 11.160  -14.782 16.585  1.00 21.84 ? 392 HOH A O     1 
HETATM 2524 O O     . HOH I 5 .   ? 20.175  4.674   15.720  1.00 34.24 ? 393 HOH A O     1 
HETATM 2525 O O     . HOH I 5 .   ? -1.674  -5.615  14.606  1.00 31.13 ? 394 HOH A O     1 
HETATM 2526 O O     . HOH I 5 .   ? -12.474 -3.374  33.470  1.00 33.39 ? 395 HOH A O     1 
HETATM 2527 O O     . HOH I 5 .   ? 18.459  -10.543 35.762  1.00 44.73 ? 396 HOH A O     1 
HETATM 2528 O O     . HOH I 5 .   ? 26.573  2.696   20.174  1.00 15.14 ? 397 HOH A O     1 
HETATM 2529 O O     . HOH I 5 .   ? 5.331   -15.090 28.263  1.00 27.02 ? 398 HOH A O     1 
HETATM 2530 O O     . HOH I 5 .   ? 7.735   9.701   20.447  1.00 15.69 ? 399 HOH A O     1 
HETATM 2531 O O     . HOH I 5 .   ? 17.327  -5.663  35.545  1.00 37.28 ? 400 HOH A O     1 
HETATM 2532 O O     . HOH I 5 .   ? 11.460  1.269   36.684  1.00 16.18 ? 401 HOH A O     1 
HETATM 2533 O O     . HOH I 5 .   ? -8.351  -2.194  36.241  1.00 37.69 ? 402 HOH A O     1 
HETATM 2534 O O     . HOH I 5 .   ? -7.570  -7.237  34.652  1.00 29.17 ? 403 HOH A O     1 
HETATM 2535 O O     . HOH I 5 .   ? -13.828 1.726   37.878  1.00 41.00 ? 404 HOH A O     1 
HETATM 2536 O O     . HOH I 5 .   ? 33.778  -11.666 20.612  1.00 44.63 ? 405 HOH A O     1 
HETATM 2537 O O     . HOH I 5 .   ? 29.237  -1.479  23.271  1.00 12.23 ? 406 HOH A O     1 
HETATM 2538 O O     . HOH I 5 .   ? -3.294  -5.518  20.777  1.00 22.91 ? 407 HOH A O     1 
HETATM 2539 O O     . HOH I 5 .   ? 25.748  -9.131  33.842  1.00 21.15 ? 408 HOH A O     1 
HETATM 2540 O O     . HOH I 5 .   ? -5.754  5.985   21.460  1.00 31.69 ? 409 HOH A O     1 
HETATM 2541 O O     . HOH I 5 .   ? 21.861  -1.738  31.298  1.00 25.67 ? 410 HOH A O     1 
HETATM 2542 O O     . HOH I 5 .   ? 17.433  -0.550  14.482  1.00 33.44 ? 411 HOH A O     1 
HETATM 2543 O O     . HOH I 5 .   ? 2.298   9.315   30.569  1.00 30.25 ? 412 HOH A O     1 
HETATM 2544 O O     . HOH I 5 .   ? 21.457  -4.079  35.079  1.00 41.85 ? 413 HOH A O     1 
HETATM 2545 O O     . HOH I 5 .   ? 3.456   9.736   28.709  1.00 32.32 ? 414 HOH A O     1 
HETATM 2546 O O     . HOH I 5 .   ? 21.243  -2.269  33.268  1.00 26.41 ? 415 HOH A O     1 
HETATM 2547 O O     . HOH I 5 .   ? -8.734  -4.692  35.753  1.00 42.60 ? 416 HOH A O     1 
HETATM 2548 O O     . HOH I 5 .   ? 23.601  -15.795 24.643  1.00 28.89 ? 417 HOH A O     1 
HETATM 2549 O O     . HOH I 5 .   ? -0.443  5.925   23.272  1.00 36.92 ? 418 HOH A O     1 
HETATM 2550 O O     . HOH I 5 .   ? 19.024  -5.863  34.459  1.00 40.33 ? 419 HOH A O     1 
HETATM 2551 O O     . HOH I 5 .   ? 11.603  6.669   33.235  1.00 35.28 ? 420 HOH A O     1 
HETATM 2552 O O     . HOH I 5 .   ? 28.592  -14.256 24.079  1.00 36.53 ? 421 HOH A O     1 
HETATM 2553 O O     . HOH I 5 .   ? 1.014   -2.595  12.130  1.00 31.83 ? 422 HOH A O     1 
HETATM 2554 O O     . HOH I 5 .   ? 18.847  2.119   14.724  1.00 36.01 ? 423 HOH A O     1 
HETATM 2555 O O     . HOH I 5 .   ? -4.271  4.097   37.174  1.00 28.92 ? 424 HOH A O     1 
HETATM 2556 O O     . HOH I 5 .   ? 23.916  -16.315 33.639  1.00 43.21 ? 425 HOH A O     1 
HETATM 2557 O O     . HOH I 5 .   ? 26.856  -0.695  17.278  1.00 42.15 ? 426 HOH A O     1 
HETATM 2558 O O     . HOH I 5 .   ? 16.293  -6.785  7.872   1.00 36.38 ? 427 HOH A O     1 
HETATM 2559 O O     . HOH I 5 .   ? 30.962  -9.180  17.827  1.00 30.00 ? 428 HOH A O     1 
HETATM 2560 O O     . HOH I 5 .   ? 5.851   15.989  23.475  1.00 41.94 ? 429 HOH A O     1 
HETATM 2561 O O     . HOH I 5 .   ? 14.034  -15.080 28.986  1.00 31.52 ? 430 HOH A O     1 
HETATM 2562 O O     . HOH I 5 .   ? 12.875  8.862   29.952  1.00 19.62 ? 431 HOH A O     1 
HETATM 2563 O O     . HOH I 5 .   ? 0.817   10.363  28.584  1.00 28.36 ? 432 HOH A O     1 
HETATM 2564 O O     . HOH I 5 .   ? 12.493  10.229  32.348  1.00 33.85 ? 433 HOH A O     1 
HETATM 2565 O O     . HOH I 5 .   ? 2.920   -15.021 26.474  1.00 43.44 ? 434 HOH A O     1 
HETATM 2566 O O     . HOH I 5 .   ? 17.464  -7.887  36.479  1.00 47.06 ? 435 HOH A O     1 
HETATM 2567 O O     . HOH I 5 .   ? 1.349   -11.800 19.752  1.00 32.36 ? 436 HOH A O     1 
HETATM 2568 O O     . HOH I 5 .   ? 26.544  -13.586 25.668  1.00 24.21 ? 437 HOH A O     1 
HETATM 2569 O O     . HOH I 5 .   ? -5.247  1.802   20.644  1.00 26.43 ? 438 HOH A O     1 
HETATM 2570 O O     . HOH I 5 .   ? 3.382   -16.017 17.155  1.00 36.35 ? 439 HOH A O     1 
HETATM 2571 O O     . HOH I 5 .   ? -3.268  -8.740  17.572  1.00 40.29 ? 440 HOH A O     1 
HETATM 2572 O O     . HOH I 5 .   ? -6.327  -8.663  35.922  1.00 32.28 ? 441 HOH A O     1 
HETATM 2573 O O     . HOH I 5 .   ? 12.306  -15.375 32.285  1.00 34.01 ? 442 HOH A O     1 
HETATM 2574 O O     . HOH I 5 .   ? 23.580  -14.973 35.394  1.00 30.89 ? 443 HOH A O     1 
HETATM 2575 O O     . HOH I 5 .   ? -15.923 4.276   33.308  1.00 29.01 ? 444 HOH A O     1 
HETATM 2576 O O     . HOH J 5 .   ? 33.676  21.873  0.883   1.00 26.30 ? 201 HOH B O     1 
HETATM 2577 O O     . HOH J 5 .   ? 16.652  14.254  10.417  1.00 31.48 ? 202 HOH B O     1 
HETATM 2578 O O     . HOH J 5 .   ? 31.138  8.804   19.334  1.00 40.06 ? 203 HOH B O     1 
HETATM 2579 O O     . HOH J 5 .   ? 34.392  10.382  5.311   1.00 22.02 ? 204 HOH B O     1 
HETATM 2580 O O     . HOH J 5 .   ? 15.568  11.751  -1.530  1.00 38.72 ? 205 HOH B O     1 
HETATM 2581 O O     . HOH J 5 .   ? 29.412  23.710  26.481  1.00 27.75 ? 206 HOH B O     1 
HETATM 2582 O O     . HOH J 5 .   ? 28.679  13.762  1.209   1.00 28.70 ? 207 HOH B O     1 
HETATM 2583 O O     . HOH J 5 .   ? 33.535  23.577  28.144  1.00 36.63 ? 208 HOH B O     1 
HETATM 2584 O O     . HOH J 5 .   ? 33.043  17.836  19.663  1.00 27.25 ? 209 HOH B O     1 
HETATM 2585 O O     . HOH J 5 .   ? 15.208  13.813  25.271  1.00 25.65 ? 210 HOH B O     1 
HETATM 2586 O O     . HOH J 5 .   ? 31.889  12.533  19.042  1.00 29.81 ? 211 HOH B O     1 
HETATM 2587 O O     . HOH J 5 .   ? 30.740  14.137  -0.472  1.00 23.11 ? 212 HOH B O     1 
HETATM 2588 O O     . HOH J 5 .   ? 20.284  12.669  -5.654  1.00 23.34 ? 213 HOH B O     1 
HETATM 2589 O O     . HOH J 5 .   ? 20.619  29.204  18.621  1.00 18.35 ? 214 HOH B O     1 
HETATM 2590 O O     . HOH J 5 .   ? 10.291  13.595  12.180  1.00 18.14 ? 215 HOH B O     1 
HETATM 2591 O O     . HOH J 5 .   ? 30.271  28.898  9.307   1.00 22.62 ? 216 HOH B O     1 
HETATM 2592 O O     . HOH J 5 .   ? 29.579  8.722   4.805   1.00 18.89 ? 217 HOH B O     1 
HETATM 2593 O O     . HOH J 5 .   ? 42.013  17.552  11.821  1.00 34.08 ? 218 HOH B O     1 
HETATM 2594 O O     . HOH J 5 .   ? 13.563  17.574  20.050  1.00 11.17 ? 219 HOH B O     1 
HETATM 2595 O O     . HOH J 5 .   ? 14.527  9.456   25.897  1.00 6.98  ? 220 HOH B O     1 
HETATM 2596 O O     . HOH J 5 .   ? 20.936  22.908  -2.157  1.00 11.86 ? 221 HOH B O     1 
HETATM 2597 O O     . HOH J 5 .   ? 19.082  10.913  13.013  1.00 39.57 ? 222 HOH B O     1 
HETATM 2598 O O     . HOH J 5 .   ? 34.425  28.227  3.959   1.00 33.44 ? 223 HOH B O     1 
HETATM 2599 O O     . HOH J 5 .   ? 19.089  26.747  16.466  1.00 24.43 ? 224 HOH B O     1 
HETATM 2600 O O     . HOH J 5 .   ? 21.356  5.818   11.996  1.00 34.33 ? 225 HOH B O     1 
HETATM 2601 O O     . HOH J 5 .   ? 43.814  10.375  10.463  1.00 28.04 ? 226 HOH B O     1 
HETATM 2602 O O     . HOH J 5 .   ? 41.318  12.851  17.391  1.00 28.13 ? 227 HOH B O     1 
HETATM 2603 O O     . HOH J 5 .   ? 28.123  25.850  3.997   1.00 19.49 ? 228 HOH B O     1 
HETATM 2604 O O     . HOH J 5 .   ? 26.817  29.601  19.255  1.00 29.25 ? 229 HOH B O     1 
HETATM 2605 O O     . HOH J 5 .   ? 24.414  25.006  2.290   1.00 15.54 ? 230 HOH B O     1 
HETATM 2606 O O     . HOH J 5 .   ? 32.861  17.808  3.309   1.00 15.70 ? 231 HOH B O     1 
HETATM 2607 O O     . HOH J 5 .   ? 14.024  22.238  17.453  1.00 31.28 ? 232 HOH B O     1 
HETATM 2608 O O     . HOH J 5 .   ? 16.297  13.749  15.772  1.00 12.26 ? 233 HOH B O     1 
HETATM 2609 O O     . HOH J 5 .   ? 12.652  14.899  9.592   1.00 16.32 ? 234 HOH B O     1 
HETATM 2610 O O     . HOH J 5 .   ? 12.968  10.254  4.403   1.00 18.03 ? 235 HOH B O     1 
HETATM 2611 O O     . HOH J 5 .   ? 21.652  16.404  -5.377  1.00 21.69 ? 236 HOH B O     1 
HETATM 2612 O O     . HOH J 5 .   ? 35.250  7.292   7.931   1.00 27.88 ? 237 HOH B O     1 
HETATM 2613 O O     . HOH J 5 .   ? 18.155  10.111  7.922   1.00 19.08 ? 238 HOH B O     1 
HETATM 2614 O O     . HOH J 5 .   ? 7.137   12.692  19.239  1.00 15.19 ? 239 HOH B O     1 
HETATM 2615 O O     . HOH J 5 .   ? 29.389  27.105  2.323   1.00 40.64 ? 240 HOH B O     1 
HETATM 2616 O O     . HOH J 5 .   ? 16.599  16.200  22.471  1.00 17.17 ? 241 HOH B O     1 
HETATM 2617 O O     . HOH J 5 .   ? 13.284  20.061  14.542  1.00 28.57 ? 242 HOH B O     1 
HETATM 2618 O O     . HOH J 5 .   ? 30.069  28.937  20.364  1.00 29.76 ? 243 HOH B O     1 
HETATM 2619 O O     . HOH J 5 .   ? 22.594  28.756  8.064   1.00 31.81 ? 244 HOH B O     1 
HETATM 2620 O O     . HOH J 5 .   ? 18.388  24.144  -2.273  1.00 18.79 ? 245 HOH B O     1 
HETATM 2621 O O     . HOH J 5 .   ? 13.120  20.932  11.933  1.00 20.84 ? 246 HOH B O     1 
HETATM 2622 O O     . HOH J 5 .   ? 32.356  19.569  0.935   1.00 30.13 ? 247 HOH B O     1 
HETATM 2623 O O     . HOH J 5 .   ? 16.455  21.604  -4.395  1.00 35.44 ? 248 HOH B O     1 
HETATM 2624 O O     . HOH J 5 .   ? 18.573  29.405  3.413   1.00 25.44 ? 249 HOH B O     1 
HETATM 2625 O O     . HOH J 5 .   ? 17.005  12.405  13.383  1.00 29.17 ? 250 HOH B O     1 
HETATM 2626 O O     . HOH J 5 .   ? 21.534  9.719   13.997  1.00 28.19 ? 251 HOH B O     1 
HETATM 2627 O O     . HOH J 5 .   ? 16.445  16.270  -6.532  1.00 33.07 ? 252 HOH B O     1 
HETATM 2628 O O     . HOH J 5 .   ? 28.416  10.835  -0.482  1.00 32.61 ? 253 HOH B O     1 
HETATM 2629 O O     . HOH J 5 .   ? 18.316  6.509   17.900  1.00 30.04 ? 254 HOH B O     1 
HETATM 2630 O O     . HOH J 5 .   ? 28.903  16.540  22.978  1.00 29.25 ? 255 HOH B O     1 
HETATM 2631 O O     . HOH J 5 .   ? 31.976  28.117  4.736   1.00 17.62 ? 256 HOH B O     1 
HETATM 2632 O O     . HOH J 5 .   ? 25.266  10.897  -3.045  1.00 34.04 ? 257 HOH B O     1 
HETATM 2633 O O     . HOH J 5 .   ? 27.264  31.683  16.280  1.00 37.29 ? 258 HOH B O     1 
HETATM 2634 O O     . HOH J 5 .   ? 24.687  4.360   13.649  1.00 17.27 ? 259 HOH B O     1 
HETATM 2635 O O     . HOH J 5 .   ? 15.152  11.674  11.297  1.00 31.71 ? 260 HOH B O     1 
HETATM 2636 O O     . HOH J 5 .   ? 22.349  29.248  4.011   1.00 21.53 ? 261 HOH B O     1 
HETATM 2637 O O     . HOH J 5 .   ? 39.411  17.335  5.055   1.00 28.06 ? 262 HOH B O     1 
HETATM 2638 O O     . HOH J 5 .   ? 10.744  11.872  -0.970  1.00 34.33 ? 263 HOH B O     1 
HETATM 2639 O O     . HOH J 5 .   ? 15.883  26.206  -2.419  1.00 47.51 ? 264 HOH B O     1 
HETATM 2640 O O     . HOH J 5 .   ? 37.936  7.778   9.148   1.00 16.60 ? 265 HOH B O     1 
HETATM 2641 O O     . HOH J 5 .   ? 18.207  27.754  7.934   1.00 45.70 ? 266 HOH B O     1 
HETATM 2642 O O     . HOH J 5 .   ? 13.824  26.626  11.713  1.00 32.52 ? 267 HOH B O     1 
HETATM 2643 O O     . HOH J 5 .   ? 20.510  20.246  -4.732  1.00 20.33 ? 268 HOH B O     1 
HETATM 2644 O O     . HOH J 5 .   ? 36.034  33.060  21.352  1.00 47.54 ? 269 HOH B O     1 
HETATM 2645 O O     . HOH J 5 .   ? 40.848  22.411  2.164   1.00 33.36 ? 270 HOH B O     1 
HETATM 2646 O O     . HOH J 5 .   ? 15.906  18.098  21.331  1.00 27.96 ? 271 HOH B O     1 
HETATM 2647 O O     . HOH J 5 .   ? 41.206  22.496  9.731   1.00 28.64 ? 272 HOH B O     1 
HETATM 2648 O O     . HOH J 5 .   ? 15.816  8.605   13.643  1.00 25.15 ? 273 HOH B O     1 
HETATM 2649 O O     . HOH J 5 .   ? 36.209  20.391  1.346   1.00 49.42 ? 274 HOH B O     1 
HETATM 2650 O O     . HOH J 5 .   ? 29.223  2.935   17.600  1.00 39.11 ? 275 HOH B O     1 
HETATM 2651 O O     . HOH J 5 .   ? 23.361  30.303  5.827   1.00 36.62 ? 276 HOH B O     1 
HETATM 2652 O O     . HOH J 5 .   ? 40.700  7.517   17.360  1.00 36.23 ? 277 HOH B O     1 
HETATM 2653 O O     . HOH J 5 .   ? 18.356  28.444  10.741  1.00 26.24 ? 278 HOH B O     1 
HETATM 2654 O O     . HOH J 5 .   ? 24.893  2.286   6.792   1.00 36.74 ? 279 HOH B O     1 
HETATM 2655 O O     . HOH J 5 .   ? 33.610  8.774   17.880  1.00 34.96 ? 280 HOH B O     1 
HETATM 2656 O O     . HOH J 5 .   ? 19.635  10.398  -4.692  1.00 39.19 ? 281 HOH B O     1 
HETATM 2657 O O     . HOH J 5 .   ? 16.308  9.792   9.971   1.00 24.10 ? 282 HOH B O     1 
HETATM 2658 O O     . HOH J 5 .   ? 26.897  28.969  4.054   1.00 34.23 ? 283 HOH B O     1 
HETATM 2659 O O     . HOH J 5 .   ? 31.608  29.886  22.419  1.00 27.78 ? 284 HOH B O     1 
HETATM 2660 O O     . HOH J 5 .   ? 36.160  23.350  0.072   1.00 36.93 ? 285 HOH B O     1 
HETATM 2661 O O     . HOH J 5 .   ? 16.845  3.981   3.711   1.00 37.72 ? 286 HOH B O     1 
HETATM 2662 O O     . HOH J 5 .   ? 12.173  12.516  10.546  1.00 21.21 ? 287 HOH B O     1 
HETATM 2663 O O     . HOH J 5 .   ? 10.520  21.402  10.704  1.00 31.05 ? 288 HOH B O     1 
HETATM 2664 O O     . HOH J 5 .   ? 17.733  27.210  13.986  1.00 30.06 ? 289 HOH B O     1 
HETATM 2665 O O     . HOH J 5 .   ? 14.803  12.639  28.062  1.00 36.91 ? 290 HOH B O     1 
HETATM 2666 O O     . HOH J 5 .   ? 12.808  10.966  -0.830  1.00 35.73 ? 291 HOH B O     1 
HETATM 2667 O O     . HOH J 5 .   ? 46.558  21.959  15.533  1.00 38.42 ? 292 HOH B O     1 
HETATM 2668 O O     . HOH J 5 .   ? 45.541  22.948  13.489  1.00 39.78 ? 293 HOH B O     1 
HETATM 2669 O O     . HOH K 5 .   ? 28.915  34.797  -15.356 1.00 23.96 ? 201 HOH C O     1 
HETATM 2670 O O     . HOH K 5 .   ? 41.368  35.352  -10.197 1.00 19.79 ? 202 HOH C O     1 
HETATM 2671 O O     . HOH K 5 .   ? 23.980  34.316  -10.983 1.00 35.45 ? 203 HOH C O     1 
HETATM 2672 O O     . HOH K 5 .   ? 25.860  10.579  -6.063  1.00 32.09 ? 204 HOH C O     1 
HETATM 2673 O O     . HOH K 5 .   ? 20.451  11.719  -9.501  1.00 27.68 ? 205 HOH C O     1 
HETATM 2674 O O     . HOH K 5 .   ? 16.518  28.430  1.787   1.00 17.00 ? 206 HOH C O     1 
HETATM 2675 O O     . HOH K 5 .   ? 31.186  33.606  -3.300  1.00 30.35 ? 207 HOH C O     1 
HETATM 2676 O O     . HOH K 5 .   ? 32.425  14.003  -6.992  1.00 40.06 ? 208 HOH C O     1 
HETATM 2677 O O     . HOH K 5 .   ? 27.634  21.924  -1.323  1.00 15.50 ? 209 HOH C O     1 
HETATM 2678 O O     . HOH K 5 .   ? 29.044  16.056  -8.722  1.00 18.07 ? 210 HOH C O     1 
HETATM 2679 O O     . HOH K 5 .   ? 31.846  15.167  -11.818 1.00 40.79 ? 211 HOH C O     1 
HETATM 2680 O O     . HOH K 5 .   ? 31.388  37.113  -14.545 1.00 23.81 ? 212 HOH C O     1 
HETATM 2681 O O     . HOH K 5 .   ? 27.630  12.840  -9.576  1.00 25.67 ? 213 HOH C O     1 
HETATM 2682 O O     . HOH K 5 .   ? 31.768  31.510  -10.834 1.00 20.74 ? 214 HOH C O     1 
HETATM 2683 O O     . HOH K 5 .   ? 35.601  28.125  -9.216  1.00 28.33 ? 215 HOH C O     1 
HETATM 2684 O O     . HOH K 5 .   ? 31.028  15.455  -15.884 1.00 14.54 ? 216 HOH C O     1 
HETATM 2685 O O     . HOH K 5 .   ? 27.533  11.958  -2.585  1.00 21.85 ? 217 HOH C O     1 
HETATM 2686 O O     . HOH K 5 .   ? 27.879  37.397  -17.351 1.00 25.18 ? 218 HOH C O     1 
HETATM 2687 O O     . HOH K 5 .   ? 29.105  13.707  -15.202 1.00 33.62 ? 219 HOH C O     1 
HETATM 2688 O O     . HOH K 5 .   ? 15.064  28.033  -1.769  1.00 45.96 ? 220 HOH C O     1 
HETATM 2689 O O     . HOH K 5 .   ? 23.581  30.289  1.638   1.00 28.55 ? 221 HOH C O     1 
HETATM 2690 O O     . HOH K 5 .   ? 25.560  38.604  -11.054 1.00 34.55 ? 222 HOH C O     1 
HETATM 2691 O O     . HOH K 5 .   ? 17.807  17.948  -6.700  1.00 31.95 ? 223 HOH C O     1 
HETATM 2692 O O     . HOH K 5 .   ? 26.221  24.826  -9.601  1.00 6.11  ? 224 HOH C O     1 
HETATM 2693 O O     . HOH K 5 .   ? 21.740  18.730  -6.840  1.00 19.61 ? 225 HOH C O     1 
HETATM 2694 O O     . HOH K 5 .   ? 21.566  21.005  -8.941  1.00 21.73 ? 226 HOH C O     1 
HETATM 2695 O O     . HOH K 5 .   ? 22.777  24.226  -9.866  1.00 13.29 ? 227 HOH C O     1 
HETATM 2696 O O     . HOH K 5 .   ? 30.076  39.530  -8.312  1.00 46.65 ? 228 HOH C O     1 
HETATM 2697 O O     . HOH K 5 .   ? 38.806  24.291  -4.480  1.00 33.78 ? 229 HOH C O     1 
HETATM 2698 O O     . HOH K 5 .   ? 37.743  21.953  -4.716  1.00 33.15 ? 230 HOH C O     1 
HETATM 2699 O O     . HOH K 5 .   ? 36.242  20.632  -7.428  1.00 34.45 ? 231 HOH C O     1 
HETATM 2700 O O     . HOH K 5 .   ? 32.760  15.980  -0.125  1.00 25.37 ? 232 HOH C O     1 
HETATM 2701 O O     . HOH K 5 .   ? 23.124  32.273  -6.313  1.00 23.40 ? 233 HOH C O     1 
HETATM 2702 O O     . HOH K 5 .   ? 39.341  35.822  -8.206  1.00 34.76 ? 234 HOH C O     1 
HETATM 2703 O O     . HOH K 5 .   ? 31.179  17.859  -9.118  1.00 23.43 ? 235 HOH C O     1 
HETATM 2704 O O     . HOH K 5 .   ? 22.344  30.540  -0.409  1.00 31.82 ? 236 HOH C O     1 
HETATM 2705 O O     . HOH K 5 .   ? 33.243  18.792  -7.420  1.00 30.76 ? 237 HOH C O     1 
HETATM 2706 O O     . HOH K 5 .   ? 23.722  31.890  -2.192  1.00 32.69 ? 238 HOH C O     1 
HETATM 2707 O O     . HOH K 5 .   ? 34.748  18.449  -0.204  1.00 43.67 ? 239 HOH C O     1 
HETATM 2708 O O     . HOH K 5 .   ? 18.773  25.003  -6.910  1.00 40.13 ? 240 HOH C O     1 
HETATM 2709 O O     . HOH K 5 .   ? 26.720  13.310  -15.576 1.00 30.61 ? 241 HOH C O     1 
HETATM 2710 O O     . HOH K 5 .   ? 24.481  33.983  -8.477  1.00 22.21 ? 242 HOH C O     1 
HETATM 2711 O O     . HOH K 5 .   ? 25.681  40.689  -9.224  1.00 25.62 ? 243 HOH C O     1 
HETATM 2712 O O     . HOH K 5 .   ? 38.108  20.642  -1.915  1.00 41.97 ? 244 HOH C O     1 
HETATM 2713 O O     . HOH K 5 .   ? 24.188  32.448  2.068   1.00 38.99 ? 245 HOH C O     1 
HETATM 2714 O O     . HOH K 5 .   ? 40.616  36.252  -5.790  1.00 25.94 ? 246 HOH C O     1 
HETATM 2715 O O     . HOH K 5 .   ? 30.533  11.332  -14.417 1.00 35.86 ? 247 HOH C O     1 
HETATM 2716 O O     . HOH K 5 .   ? 26.204  31.921  3.675   1.00 38.40 ? 248 HOH C O     1 
HETATM 2717 O O     . HOH K 5 .   ? 31.853  37.880  -7.631  1.00 41.58 ? 249 HOH C O     1 
HETATM 2718 O O     . HOH L 5 .   ? 8.173   20.775  25.613  1.00 40.73 ? 201 HOH D O     1 
HETATM 2719 O O     . HOH L 5 .   ? 21.127  28.697  25.757  1.00 14.28 ? 202 HOH D O     1 
HETATM 2720 O O     . HOH L 5 .   ? 10.365  20.280  28.367  1.00 27.39 ? 203 HOH D O     1 
HETATM 2721 O O     . HOH L 5 .   ? 33.207  16.681  34.720  1.00 32.78 ? 204 HOH D O     1 
HETATM 2722 O O     . HOH L 5 .   ? 10.079  10.732  19.204  1.00 9.68  ? 205 HOH D O     1 
HETATM 2723 O O     . HOH L 5 .   ? 21.267  4.836   30.369  1.00 34.34 ? 206 HOH D O     1 
HETATM 2724 O O     . HOH L 5 .   ? 21.665  6.813   14.305  1.00 22.23 ? 207 HOH D O     1 
HETATM 2725 O O     . HOH L 5 .   ? 13.144  14.537  35.455  1.00 38.26 ? 208 HOH D O     1 
HETATM 2726 O O     . HOH L 5 .   ? 9.231   23.043  20.691  1.00 30.38 ? 209 HOH D O     1 
HETATM 2727 O O     . HOH L 5 .   ? 21.085  23.184  33.455  1.00 9.81  ? 210 HOH D O     1 
HETATM 2728 O O     . HOH L 5 .   ? 31.567  16.736  38.486  1.00 14.36 ? 211 HOH D O     1 
HETATM 2729 O O     . HOH L 5 .   ? 29.619  11.770  34.753  1.00 32.57 ? 212 HOH D O     1 
HETATM 2730 O O     . HOH L 5 .   ? 24.483  15.181  37.417  1.00 35.21 ? 213 HOH D O     1 
HETATM 2731 O O     . HOH L 5 .   ? 13.567  26.373  32.926  1.00 26.28 ? 214 HOH D O     1 
HETATM 2732 O O     . HOH L 5 .   ? 29.964  11.594  20.635  1.00 14.90 ? 215 HOH D O     1 
HETATM 2733 O O     . HOH L 5 .   ? 22.727  32.031  25.202  1.00 25.95 ? 216 HOH D O     1 
HETATM 2734 O O     . HOH L 5 .   ? 28.333  13.660  38.336  1.00 25.27 ? 217 HOH D O     1 
HETATM 2735 O O     . HOH L 5 .   ? 8.174   18.472  30.536  1.00 43.35 ? 218 HOH D O     1 
HETATM 2736 O O     . HOH L 5 .   ? 12.653  16.419  22.478  1.00 12.85 ? 219 HOH D O     1 
HETATM 2737 O O     . HOH L 5 .   ? 15.692  25.660  26.963  1.00 30.86 ? 220 HOH D O     1 
HETATM 2738 O O     . HOH L 5 .   ? 11.673  23.048  28.505  1.00 31.76 ? 221 HOH D O     1 
HETATM 2739 O O     . HOH L 5 .   ? 27.347  26.242  30.379  1.00 17.63 ? 222 HOH D O     1 
HETATM 2740 O O     . HOH L 5 .   ? 14.554  16.291  24.479  1.00 7.42  ? 223 HOH D O     1 
HETATM 2741 O O     . HOH L 5 .   ? 16.900  11.120  31.231  1.00 17.84 ? 224 HOH D O     1 
HETATM 2742 O O     . HOH L 5 .   ? 23.718  19.857  25.517  1.00 5.21  ? 225 HOH D O     1 
HETATM 2743 O O     . HOH L 5 .   ? 26.921  4.353   14.790  1.00 25.01 ? 226 HOH D O     1 
HETATM 2744 O O     . HOH L 5 .   ? 29.686  32.718  26.544  1.00 34.24 ? 227 HOH D O     1 
HETATM 2745 O O     . HOH L 5 .   ? 19.677  5.167   22.829  1.00 9.41  ? 228 HOH D O     1 
HETATM 2746 O O     . HOH L 5 .   ? 8.704   17.392  20.144  1.00 32.53 ? 229 HOH D O     1 
HETATM 2747 O O     . HOH L 5 .   ? 14.029  27.331  29.375  1.00 27.38 ? 230 HOH D O     1 
HETATM 2748 O O     . HOH L 5 .   ? 23.006  10.858  20.385  1.00 8.38  ? 231 HOH D O     1 
HETATM 2749 O O     . HOH L 5 .   ? 20.845  16.285  38.590  1.00 21.94 ? 232 HOH D O     1 
HETATM 2750 O O     . HOH L 5 .   ? 12.974  10.180  28.048  1.00 20.09 ? 233 HOH D O     1 
HETATM 2751 O O     . HOH L 5 .   ? 27.122  20.092  26.127  1.00 34.03 ? 234 HOH D O     1 
HETATM 2752 O O     . HOH L 5 .   ? 24.778  10.348  27.602  1.00 9.46  ? 235 HOH D O     1 
HETATM 2753 O O     . HOH L 5 .   ? 13.014  13.413  31.325  1.00 36.23 ? 236 HOH D O     1 
HETATM 2754 O O     . HOH L 5 .   ? 9.355   14.704  31.591  1.00 36.81 ? 237 HOH D O     1 
HETATM 2755 O O     . HOH L 5 .   ? 26.168  14.583  35.292  1.00 13.07 ? 238 HOH D O     1 
HETATM 2756 O O     . HOH L 5 .   ? 24.194  12.890  33.543  1.00 24.63 ? 239 HOH D O     1 
HETATM 2757 O O     . HOH L 5 .   ? 15.927  11.650  33.561  1.00 21.59 ? 240 HOH D O     1 
HETATM 2758 O O     . HOH L 5 .   ? 13.583  24.376  25.792  1.00 17.47 ? 241 HOH D O     1 
HETATM 2759 O O     . HOH L 5 .   ? 18.834  26.951  25.032  1.00 16.58 ? 242 HOH D O     1 
HETATM 2760 O O     . HOH L 5 .   ? 26.402  9.511   25.494  1.00 11.93 ? 243 HOH D O     1 
HETATM 2761 O O     . HOH L 5 .   ? 28.375  21.731  27.110  1.00 40.61 ? 244 HOH D O     1 
HETATM 2762 O O     . HOH L 5 .   ? 25.623  12.156  29.637  1.00 13.18 ? 245 HOH D O     1 
HETATM 2763 O O     . HOH L 5 .   ? 15.580  29.141  33.602  1.00 20.40 ? 246 HOH D O     1 
HETATM 2764 O O     . HOH L 5 .   ? 17.437  28.514  23.278  1.00 31.10 ? 247 HOH D O     1 
HETATM 2765 O O     . HOH L 5 .   ? 8.758   20.754  21.179  1.00 30.60 ? 248 HOH D O     1 
HETATM 2766 O O     . HOH L 5 .   ? 15.625  25.382  17.494  1.00 34.05 ? 249 HOH D O     1 
HETATM 2767 O O     . HOH L 5 .   ? 16.097  16.295  37.329  1.00 32.76 ? 250 HOH D O     1 
HETATM 2768 O O     . HOH L 5 .   ? 31.964  26.552  30.547  1.00 25.16 ? 251 HOH D O     1 
HETATM 2769 O O     . HOH L 5 .   ? 29.041  3.664   20.385  1.00 22.21 ? 252 HOH D O     1 
HETATM 2770 O O     . HOH L 5 .   ? 21.331  6.896   32.563  1.00 31.49 ? 253 HOH D O     1 
HETATM 2771 O O     . HOH L 5 .   ? 30.675  9.660   22.090  1.00 41.12 ? 254 HOH D O     1 
HETATM 2772 O O     . HOH L 5 .   ? 14.660  27.704  22.144  1.00 39.76 ? 255 HOH D O     1 
HETATM 2773 O O     . HOH L 5 .   ? 28.917  11.039  32.732  1.00 38.21 ? 256 HOH D O     1 
HETATM 2774 O O     . HOH L 5 .   ? 15.857  8.787   30.126  1.00 25.12 ? 257 HOH D O     1 
HETATM 2775 O O     . HOH L 5 .   ? 31.667  13.340  22.384  1.00 35.93 ? 258 HOH D O     1 
HETATM 2776 O O     . HOH L 5 .   ? 35.801  16.684  36.085  1.00 29.57 ? 259 HOH D 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     . GLN A 1   ? 0.4505 0.4510 0.5231 0.0414  0.0680  -0.1009 1   GLN A N     
2    C CA    . GLN A 1   ? 0.4976 0.5140 0.5635 0.0376  0.0688  -0.0965 1   GLN A CA    
3    C C     . GLN A 1   ? 0.5775 0.5931 0.6421 0.0364  0.0622  -0.0856 1   GLN A C     
4    O O     . GLN A 1   ? 0.6188 0.6277 0.6938 0.0419  0.0579  -0.0794 1   GLN A O     
5    C CB    . GLN A 1   ? 0.4457 0.4685 0.4947 0.0290  0.0721  -0.1026 1   GLN A CB    
6    N N     . VAL A 2   ? 0.5216 0.5441 0.5730 0.0293  0.0614  -0.0832 2   VAL A N     
7    C CA    . VAL A 2   ? 0.4208 0.4447 0.4702 0.0278  0.0561  -0.0738 2   VAL A CA    
8    C C     . VAL A 2   ? 0.3637 0.3765 0.4041 0.0237  0.0521  -0.0733 2   VAL A C     
9    O O     . VAL A 2   ? 0.4259 0.4381 0.4545 0.0177  0.0533  -0.0785 2   VAL A O     
10   C CB    . VAL A 2   ? 0.3729 0.4117 0.4147 0.0227  0.0576  -0.0706 2   VAL A CB    
11   C CG1   . VAL A 2   ? 0.2809 0.3209 0.3217 0.0215  0.0524  -0.0616 2   VAL A CG1   
12   C CG2   . VAL A 2   ? 0.4450 0.4955 0.4962 0.0260  0.0622  -0.0714 2   VAL A CG2   
13   N N     . GLN A 3   ? 0.1462 0.1512 0.1921 0.0265  0.0472  -0.0666 3   GLN A N     
14   C CA    . GLN A 3   ? 0.1716 0.1667 0.2103 0.0226  0.0436  -0.0654 3   GLN A CA    
15   C C     . GLN A 3   ? 0.1516 0.1470 0.1923 0.0237  0.0391  -0.0563 3   GLN A C     
16   O O     . GLN A 3   ? 0.1978 0.1936 0.2491 0.0295  0.0370  -0.0505 3   GLN A O     
17   C CB    . GLN A 3   ? 0.2852 0.2647 0.3294 0.0246  0.0428  -0.0681 3   GLN A CB    
18   C CG    . GLN A 3   ? 0.4565 0.4265 0.4936 0.0193  0.0395  -0.0672 3   GLN A CG    
19   C CD    . GLN A 3   ? 0.6479 0.6023 0.6905 0.0201  0.0388  -0.0696 3   GLN A CD    
20   O OE1   . GLN A 3   ? 0.6651 0.6097 0.7079 0.0181  0.0354  -0.0651 3   GLN A OE1   
21   N NE2   . GLN A 3   ? 0.7142 0.6663 0.7615 0.0227  0.0423  -0.0766 3   GLN A NE2   
22   N N     . LEU A 4   ? 0.1217 0.1173 0.1506 0.0176  0.0358  -0.0528 4   LEU A N     
23   C CA    . LEU A 4   ? 0.1201 0.1149 0.1468 0.0172  0.0296  -0.0419 4   LEU A CA    
24   C C     . LEU A 4   ? 0.1256 0.1091 0.1494 0.0147  0.0265  -0.0401 4   LEU A C     
25   O O     . LEU A 4   ? 0.1855 0.1666 0.2029 0.0097  0.0275  -0.0457 4   LEU A O     
26   C CB    . LEU A 4   ? 0.1486 0.1537 0.1653 0.0123  0.0278  -0.0379 4   LEU A CB    
27   C CG    . LEU A 4   ? 0.2767 0.2939 0.2955 0.0129  0.0300  -0.0370 4   LEU A CG    
28   C CD1   . LEU A 4   ? 0.1997 0.2226 0.2104 0.0086  0.0264  -0.0301 4   LEU A CD1   
29   C CD2   . LEU A 4   ? 0.2643 0.2829 0.2965 0.0194  0.0300  -0.0349 4   LEU A CD2   
30   N N     . GLN A 5   ? 0.1026 0.0805 0.1307 0.0175  0.0226  -0.0321 5   GLN A N     
31   C CA    . GLN A 5   ? 0.1469 0.1149 0.1734 0.0150  0.0200  -0.0287 5   GLN A CA    
32   C C     . GLN A 5   ? 0.1961 0.1684 0.2174 0.0136  0.0158  -0.0197 5   GLN A C     
33   O O     . GLN A 5   ? 0.1152 0.0896 0.1396 0.0174  0.0135  -0.0138 5   GLN A O     
34   C CB    . GLN A 5   ? 0.1942 0.1499 0.2310 0.0196  0.0201  -0.0272 5   GLN A CB    
35   C CG    . GLN A 5   ? 0.3750 0.3197 0.4107 0.0164  0.0178  -0.0224 5   GLN A CG    
36   C CD    . GLN A 5   ? 0.5055 0.4461 0.5367 0.0095  0.0196  -0.0295 5   GLN A CD    
37   O OE1   . GLN A 5   ? 0.6089 0.5492 0.6403 0.0086  0.0230  -0.0396 5   GLN A OE1   
38   N NE2   . GLN A 5   ? 0.4982 0.4369 0.5255 0.0044  0.0174  -0.0246 5   GLN A NE2   
39   N N     . GLU A 6   ? 0.1549 0.1291 0.1689 0.0082  0.0146  -0.0194 6   GLU A N     
40   C CA    . GLU A 6   ? 0.0944 0.0726 0.1043 0.0069  0.0115  -0.0125 6   GLU A CA    
41   C C     . GLU A 6   ? 0.0897 0.0607 0.1006 0.0054  0.0105  -0.0080 6   GLU A C     
42   O O     . GLU A 6   ? 0.1126 0.0762 0.1256 0.0027  0.0118  -0.0108 6   GLU A O     
43   C CB    . GLU A 6   ? 0.0807 0.0665 0.0842 0.0025  0.0108  -0.0141 6   GLU A CB    
44   C CG    . GLU A 6   ? 0.2480 0.2419 0.2491 0.0032  0.0110  -0.0151 6   GLU A CG    
45   C CD    . GLU A 6   ? 0.1694 0.1698 0.1647 -0.0009 0.0094  -0.0148 6   GLU A CD    
46   O OE1   . GLU A 6   ? 0.1127 0.1148 0.1077 -0.0013 0.0070  -0.0104 6   GLU A OE1   
47   O OE2   . GLU A 6   ? 0.1691 0.1735 0.1605 -0.0036 0.0105  -0.0191 6   GLU A OE2   
48   N N     A SER A 7   ? 0.1036 0.0771 0.1125 0.0064  0.0085  -0.0014 7   SER A N     
49   N N     B SER A 7   ? 0.1043 0.0777 0.1132 0.0065  0.0085  -0.0013 7   SER A N     
50   C CA    A SER A 7   ? 0.1152 0.0841 0.1235 0.0042  0.0081  0.0039  7   SER A CA    
51   C CA    B SER A 7   ? 0.1140 0.0828 0.1224 0.0044  0.0080  0.0041  7   SER A CA    
52   C C     A SER A 7   ? 0.1583 0.1349 0.1616 0.0038  0.0069  0.0081  7   SER A C     
53   C C     B SER A 7   ? 0.1567 0.1336 0.1600 0.0037  0.0069  0.0079  7   SER A C     
54   O O     A SER A 7   ? 0.1308 0.1135 0.1321 0.0062  0.0057  0.0078  7   SER A O     
55   O O     B SER A 7   ? 0.1403 0.1236 0.1415 0.0058  0.0059  0.0072  7   SER A O     
56   C CB    A SER A 7   ? 0.1563 0.1159 0.1690 0.0072  0.0075  0.0085  7   SER A CB    
57   C CB    B SER A 7   ? 0.1552 0.1158 0.1676 0.0079  0.0072  0.0093  7   SER A CB    
58   O OG    A SER A 7   ? 0.1765 0.1398 0.1899 0.0123  0.0055  0.0113  7   SER A OG    
59   O OG    B SER A 7   ? 0.1808 0.1345 0.2000 0.0106  0.0084  0.0049  7   SER A OG    
60   N N     . GLY A 8   ? 0.0867 0.0629 0.0885 0.0004  0.0077  0.0116  8   GLY A N     
61   C CA    . GLY A 8   ? 0.1263 0.1096 0.1237 0.0001  0.0077  0.0149  8   GLY A CA    
62   C C     . GLY A 8   ? 0.1220 0.1126 0.1198 -0.0033 0.0090  0.0128  8   GLY A C     
63   O O     . GLY A 8   ? 0.0775 0.0743 0.0728 -0.0033 0.0100  0.0146  8   GLY A O     
64   N N     . GLY A 9   ? 0.1241 0.1153 0.1253 -0.0061 0.0090  0.0087  9   GLY A N     
65   C CA    . GLY A 9   ? 0.1110 0.1109 0.1143 -0.0089 0.0093  0.0073  9   GLY A CA    
66   C C     . GLY A 9   ? 0.1096 0.1117 0.1152 -0.0131 0.0117  0.0105  9   GLY A C     
67   O O     . GLY A 9   ? 0.0912 0.0861 0.0962 -0.0152 0.0130  0.0141  9   GLY A O     
68   N N     . GLY A 10  ? 0.1264 0.1390 0.1354 -0.0143 0.0122  0.0098  10  GLY A N     
69   C CA    . GLY A 10  ? 0.1246 0.1423 0.1372 -0.0187 0.0153  0.0124  10  GLY A CA    
70   C C     . GLY A 10  ? 0.0735 0.1044 0.0901 -0.0170 0.0166  0.0115  10  GLY A C     
71   O O     . GLY A 10  ? 0.0811 0.1161 0.0992 -0.0130 0.0142  0.0089  10  GLY A O     
72   N N     . LEU A 11  ? 0.0775 0.1148 0.0965 -0.0200 0.0207  0.0141  11  LEU A N     
73   C CA    . LEU A 11  ? 0.0742 0.1254 0.0993 -0.0185 0.0233  0.0126  11  LEU A CA    
74   C C     . LEU A 11  ? 0.1587 0.2115 0.1771 -0.0149 0.0270  0.0132  11  LEU A C     
75   O O     . LEU A 11  ? 0.1664 0.2144 0.1770 -0.0173 0.0294  0.0172  11  LEU A O     
76   C CB    . LEU A 11  ? 0.1214 0.1820 0.1554 -0.0250 0.0262  0.0140  11  LEU A CB    
77   C CG    . LEU A 11  ? 0.1636 0.2409 0.2067 -0.0238 0.0301  0.0126  11  LEU A CG    
78   C CD1   . LEU A 11  ? 0.1295 0.2141 0.1813 -0.0186 0.0260  0.0088  11  LEU A CD1   
79   C CD2   . LEU A 11  ? 0.1933 0.2793 0.2446 -0.0317 0.0336  0.0150  11  LEU A CD2   
80   N N     A VAL A 12  ? 0.0913 0.1505 0.1124 -0.0094 0.0273  0.0093  12  VAL A N     
81   N N     B VAL A 12  ? 0.1065 0.1659 0.1278 -0.0095 0.0274  0.0093  12  VAL A N     
82   C CA    A VAL A 12  ? 0.1281 0.1894 0.1427 -0.0062 0.0309  0.0077  12  VAL A CA    
83   C CA    B VAL A 12  ? 0.1305 0.1914 0.1450 -0.0059 0.0307  0.0076  12  VAL A CA    
84   C C     A VAL A 12  ? 0.1503 0.2238 0.1748 -0.0025 0.0339  0.0030  12  VAL A C     
85   C C     B VAL A 12  ? 0.1376 0.2102 0.1615 -0.0019 0.0336  0.0027  12  VAL A C     
86   O O     A VAL A 12  ? 0.1192 0.1975 0.1550 -0.0007 0.0313  0.0017  12  VAL A O     
87   O O     B VAL A 12  ? 0.1245 0.2007 0.1590 0.0006  0.0305  0.0011  12  VAL A O     
88   C CB    A VAL A 12  ? 0.1211 0.1723 0.1271 -0.0019 0.0272  0.0063  12  VAL A CB    
89   C CB    B VAL A 12  ? 0.1450 0.1951 0.1509 -0.0020 0.0266  0.0066  12  VAL A CB    
90   C CG1   A VAL A 12  ? 0.2593 0.2997 0.2578 -0.0046 0.0244  0.0109  12  VAL A CG1   
91   C CG1   B VAL A 12  ? 0.0791 0.1311 0.0777 0.0009  0.0293  0.0035  12  VAL A CG1   
92   C CG2   A VAL A 12  ? 0.0669 0.1166 0.0794 0.0024  0.0228  0.0032  12  VAL A CG2   
93   C CG2   B VAL A 12  ? 0.2208 0.2603 0.2200 -0.0049 0.0239  0.0111  12  VAL A CG2   
94   N N     . GLN A 13  ? 0.0996 0.1784 0.1196 -0.0011 0.0395  0.0004  13  GLN A N     
95   C CA    . GLN A 13  ? 0.0804 0.1704 0.1103 0.0035  0.0435  -0.0055 13  GLN A CA    
96   C C     . GLN A 13  ? 0.0782 0.1613 0.1082 0.0105  0.0401  -0.0105 13  GLN A C     
97   O O     . GLN A 13  ? 0.0900 0.1624 0.1090 0.0110  0.0371  -0.0105 13  GLN A O     
98   C CB    . GLN A 13  ? 0.1827 0.2818 0.2067 0.0016  0.0520  -0.0074 13  GLN A CB    
99   C CG    . GLN A 13  ? 0.3409 0.4467 0.3660 -0.0059 0.0560  -0.0017 13  GLN A CG    
100  C CD    . GLN A 13  ? 0.5446 0.6551 0.5641 -0.0071 0.0629  -0.0032 13  GLN A CD    
101  O OE1   . GLN A 13  ? 0.6281 0.7346 0.6350 -0.0054 0.0644  -0.0061 13  GLN A OE1   
102  N NE2   . GLN A 13  ? 0.5419 0.6618 0.5709 -0.0105 0.0671  -0.0015 13  GLN A NE2   
103  N N     . ALA A 14  ? 0.0759 0.1656 0.1201 0.0158  0.0404  -0.0145 14  ALA A N     
104  C CA    . ALA A 14  ? 0.1362 0.2189 0.1823 0.0223  0.0380  -0.0194 14  ALA A CA    
105  C C     . ALA A 14  ? 0.0856 0.1648 0.1194 0.0231  0.0422  -0.0251 14  ALA A C     
106  O O     . ALA A 14  ? 0.0960 0.1838 0.1256 0.0211  0.0491  -0.0277 14  ALA A O     
107  C CB    . ALA A 14  ? 0.1366 0.2281 0.2014 0.0285  0.0390  -0.0228 14  ALA A CB    
108  N N     . GLY A 15  ? 0.0999 0.1672 0.1279 0.0253  0.0378  -0.0272 15  GLY A N     
109  C CA    . GLY A 15  ? 0.1431 0.2061 0.1581 0.0249  0.0399  -0.0326 15  GLY A CA    
110  C C     . GLY A 15  ? 0.1388 0.1974 0.1377 0.0193  0.0376  -0.0273 15  GLY A C     
111  O O     . GLY A 15  ? 0.1250 0.1793 0.1126 0.0186  0.0368  -0.0306 15  GLY A O     
112  N N     . GLY A 16  ? 0.0998 0.1596 0.0983 0.0153  0.0362  -0.0195 16  GLY A N     
113  C CA    . GLY A 16  ? 0.1365 0.1914 0.1224 0.0108  0.0338  -0.0136 16  GLY A CA    
114  C C     . GLY A 16  ? 0.1335 0.1776 0.1175 0.0117  0.0268  -0.0116 16  GLY A C     
115  O O     . GLY A 16  ? 0.0896 0.1294 0.0805 0.0150  0.0238  -0.0144 16  GLY A O     
116  N N     A SER A 17  ? 0.1340 0.1739 0.1090 0.0086  0.0243  -0.0061 17  SER A N     
117  N N     B SER A 17  ? 0.1339 0.1738 0.1089 0.0086  0.0243  -0.0062 17  SER A N     
118  C CA    A SER A 17  ? 0.1337 0.1652 0.1067 0.0093  0.0183  -0.0043 17  SER A CA    
119  C CA    B SER A 17  ? 0.1281 0.1596 0.1018 0.0093  0.0183  -0.0042 17  SER A CA    
120  C C     A SER A 17  ? 0.1420 0.1699 0.1139 0.0066  0.0164  0.0030  17  SER A C     
121  C C     B SER A 17  ? 0.1333 0.1612 0.1059 0.0066  0.0165  0.0030  17  SER A C     
122  O O     A SER A 17  ? 0.1290 0.1592 0.0969 0.0035  0.0190  0.0073  17  SER A O     
123  O O     B SER A 17  ? 0.1233 0.1538 0.0929 0.0035  0.0193  0.0072  17  SER A O     
124  C CB    A SER A 17  ? 0.1274 0.1580 0.0905 0.0094  0.0166  -0.0071 17  SER A CB    
125  C CB    B SER A 17  ? 0.1340 0.1638 0.0983 0.0096  0.0161  -0.0070 17  SER A CB    
126  O OG    A SER A 17  ? 0.1281 0.1526 0.0913 0.0099  0.0109  -0.0056 17  SER A OG    
127  O OG    B SER A 17  ? 0.1168 0.1481 0.0826 0.0119  0.0179  -0.0150 17  SER A OG    
128  N N     . LEU A 18  ? 0.0819 0.1038 0.0578 0.0076  0.0123  0.0043  18  LEU A N     
129  C CA    . LEU A 18  ? 0.1365 0.1534 0.1124 0.0060  0.0104  0.0097  18  LEU A CA    
130  C C     . LEU A 18  ? 0.1192 0.1313 0.0972 0.0080  0.0063  0.0090  18  LEU A C     
131  O O     . LEU A 18  ? 0.1160 0.1286 0.0964 0.0097  0.0050  0.0053  18  LEU A O     
132  C CB    . LEU A 18  ? 0.0776 0.0946 0.0598 0.0036  0.0124  0.0112  18  LEU A CB    
133  C CG    . LEU A 18  ? 0.1091 0.1272 0.0992 0.0045  0.0113  0.0080  18  LEU A CG    
134  C CD1   . LEU A 18  ? 0.1031 0.1152 0.0945 0.0050  0.0081  0.0082  18  LEU A CD1   
135  C CD2   . LEU A 18  ? 0.1366 0.1593 0.1324 0.0015  0.0136  0.0085  18  LEU A CD2   
136  N N     . ARG A 19  ? 0.0738 0.0813 0.0522 0.0078  0.0046  0.0128  19  ARG A N     
137  C CA    . ARG A 19  ? 0.0704 0.0752 0.0519 0.0098  0.0015  0.0122  19  ARG A CA    
138  C C     . ARG A 19  ? 0.1054 0.1059 0.0923 0.0093  0.0021  0.0126  19  ARG A C     
139  O O     . ARG A 19  ? 0.1012 0.0978 0.0884 0.0081  0.0031  0.0157  19  ARG A O     
140  C CB    . ARG A 19  ? 0.1090 0.1136 0.0869 0.0110  -0.0016 0.0155  19  ARG A CB    
141  C CG    . ARG A 19  ? 0.1216 0.1260 0.1044 0.0132  -0.0047 0.0146  19  ARG A CG    
142  C CD    . ARG A 19  ? 0.1248 0.1303 0.1059 0.0146  -0.0086 0.0192  19  ARG A CD    
143  N NE    . ARG A 19  ? 0.1927 0.1928 0.1757 0.0153  -0.0082 0.0246  19  ARG A NE    
144  C CZ    . ARG A 19  ? 0.2645 0.2635 0.2491 0.0175  -0.0117 0.0303  19  ARG A CZ    
145  N NH1   . ARG A 19  ? 0.1866 0.1914 0.1706 0.0189  -0.0163 0.0313  19  ARG A NH1   
146  N NH2   . ARG A 19  ? 0.3133 0.3051 0.3010 0.0181  -0.0110 0.0352  19  ARG A NH2   
147  N N     . LEU A 20  ? 0.0630 0.0640 0.0538 0.0099  0.0016  0.0094  20  LEU A N     
148  C CA    . LEU A 20  ? 0.0825 0.0802 0.0773 0.0095  0.0023  0.0082  20  LEU A CA    
149  C C     . LEU A 20  ? 0.1095 0.1058 0.1074 0.0122  0.0010  0.0084  20  LEU A C     
150  O O     . LEU A 20  ? 0.1282 0.1282 0.1263 0.0136  -0.0008 0.0082  20  LEU A O     
151  C CB    . LEU A 20  ? 0.0584 0.0590 0.0544 0.0080  0.0028  0.0049  20  LEU A CB    
152  C CG    . LEU A 20  ? 0.0745 0.0781 0.0703 0.0058  0.0036  0.0048  20  LEU A CG    
153  C CD1   . LEU A 20  ? 0.1150 0.1217 0.1119 0.0043  0.0028  0.0027  20  LEU A CD1   
154  C CD2   . LEU A 20  ? 0.0683 0.0693 0.0646 0.0034  0.0052  0.0061  20  LEU A CD2   
155  N N     A SER A 21  ? 0.0685 0.0598 0.0701 0.0130  0.0020  0.0083  21  SER A N     
156  N N     B SER A 21  ? 0.0952 0.0865 0.0969 0.0130  0.0021  0.0082  21  SER A N     
157  C CA    A SER A 21  ? 0.1083 0.0992 0.1157 0.0163  0.0015  0.0077  21  SER A CA    
158  C CA    B SER A 21  ? 0.1089 0.0997 0.1164 0.0164  0.0015  0.0077  21  SER A CA    
159  C C     A SER A 21  ? 0.1385 0.1292 0.1492 0.0158  0.0044  0.0020  21  SER A C     
160  C C     B SER A 21  ? 0.1334 0.1238 0.1443 0.0159  0.0044  0.0021  21  SER A C     
161  O O     A SER A 21  ? 0.0921 0.0796 0.1011 0.0130  0.0063  -0.0007 21  SER A O     
162  O O     B SER A 21  ? 0.1050 0.0920 0.1145 0.0132  0.0063  -0.0006 21  SER A O     
163  C CB    A SER A 21  ? 0.1135 0.0983 0.1243 0.0189  0.0003  0.0122  21  SER A CB    
164  C CB    B SER A 21  ? 0.1192 0.1038 0.1298 0.0188  0.0003  0.0124  21  SER A CB    
165  O OG    A SER A 21  ? 0.1277 0.1046 0.1391 0.0169  0.0024  0.0120  21  SER A OG    
166  O OG    B SER A 21  ? 0.1483 0.1341 0.1532 0.0183  -0.0023 0.0180  21  SER A OG    
167  N N     . CYS A 22  ? 0.0936 0.0889 0.1088 0.0180  0.0049  -0.0001 22  CYS A N     
168  C CA    . CYS A 22  ? 0.0987 0.0955 0.1168 0.0178  0.0085  -0.0059 22  CYS A CA    
169  C C     . CYS A 22  ? 0.1125 0.1099 0.1406 0.0228  0.0092  -0.0067 22  CYS A C     
170  O O     . CYS A 22  ? 0.0833 0.0879 0.1155 0.0245  0.0078  -0.0050 22  CYS A O     
171  C CB    . CYS A 22  ? 0.1520 0.1568 0.1664 0.0148  0.0092  -0.0075 22  CYS A CB    
172  S SG    . CYS A 22  ? 0.1803 0.1892 0.1942 0.0129  0.0142  -0.0145 22  CYS A SG    
173  N N     . ALA A 23  ? 0.1214 0.1111 0.1547 0.0251  0.0111  -0.0091 23  ALA A N     
174  C CA    . ALA A 23  ? 0.1095 0.0985 0.1548 0.0311  0.0116  -0.0095 23  ALA A CA    
175  C C     . ALA A 23  ? 0.1383 0.1303 0.1886 0.0321  0.0174  -0.0185 23  ALA A C     
176  O O     . ALA A 23  ? 0.1680 0.1549 0.2144 0.0293  0.0208  -0.0247 23  ALA A O     
177  C CB    . ALA A 23  ? 0.1106 0.0875 0.1603 0.0339  0.0099  -0.0056 23  ALA A CB    
178  N N     . ALA A 24  ? 0.0907 0.0921 0.1501 0.0358  0.0187  -0.0197 24  ALA A N     
179  C CA    . ALA A 24  ? 0.1378 0.1451 0.2018 0.0364  0.0253  -0.0287 24  ALA A CA    
180  C C     . ALA A 24  ? 0.1489 0.1528 0.2269 0.0435  0.0272  -0.0315 24  ALA A C     
181  O O     . ALA A 24  ? 0.1101 0.1129 0.1961 0.0483  0.0225  -0.0248 24  ALA A O     
182  C CB    . ALA A 24  ? 0.1240 0.1465 0.1878 0.0342  0.0267  -0.0284 24  ALA A CB    
183  N N     . SER A 25  ? 0.1132 0.1157 0.1897 0.0427  0.0327  -0.0401 25  SER A N     
184  C CA    . SER A 25  ? 0.1541 0.1545 0.2405 0.0481  0.0349  -0.0435 25  SER A CA    
185  C C     . SER A 25  ? 0.1637 0.1746 0.2487 0.0464  0.0417  -0.0519 25  SER A C     
186  O O     . SER A 25  ? 0.1993 0.2114 0.2728 0.0404  0.0451  -0.0575 25  SER A O     
187  C CB    . SER A 25  ? 0.2425 0.2262 0.3287 0.0488  0.0347  -0.0462 25  SER A CB    
188  O OG    . SER A 25  ? 0.3870 0.3604 0.4729 0.0492  0.0289  -0.0379 25  SER A OG    
189  N N     . GLY A 26  ? 0.1562 0.1751 0.2525 0.0515  0.0436  -0.0524 26  GLY A N     
190  C CA    . GLY A 26  ? 0.1817 0.2112 0.2779 0.0504  0.0506  -0.0598 26  GLY A CA    
191  C C     . GLY A 26  ? 0.1828 0.2292 0.2781 0.0470  0.0521  -0.0570 26  GLY A C     
192  O O     . GLY A 26  ? 0.1685 0.2252 0.2651 0.0462  0.0581  -0.0618 26  GLY A O     
193  N N     . SER A 27  ? 0.2107 0.2599 0.3041 0.0448  0.0470  -0.0494 27  SER A N     
194  C CA    . SER A 27  ? 0.2051 0.2691 0.2982 0.0406  0.0477  -0.0460 27  SER A CA    
195  C C     . SER A 27  ? 0.1551 0.2186 0.2505 0.0407  0.0402  -0.0376 27  SER A C     
196  O O     . SER A 27  ? 0.1212 0.1733 0.2118 0.0410  0.0361  -0.0353 27  SER A O     
197  C CB    . SER A 27  ? 0.2778 0.3455 0.3556 0.0324  0.0519  -0.0492 27  SER A CB    
198  O OG    . SER A 27  ? 0.3772 0.4596 0.4565 0.0286  0.0546  -0.0470 27  SER A OG    
199  N N     . ARG A 28  ? 0.1192 0.1955 0.2221 0.0399  0.0386  -0.0331 28  ARG A N     
200  C CA    . ARG A 28  ? 0.1086 0.1855 0.2146 0.0400  0.0308  -0.0257 28  ARG A CA    
201  C C     . ARG A 28  ? 0.0692 0.1489 0.1648 0.0323  0.0299  -0.0238 28  ARG A C     
202  O O     . ARG A 28  ? 0.0728 0.1617 0.1652 0.0269  0.0348  -0.0256 28  ARG A O     
203  C CB    . ARG A 28  ? 0.1338 0.2228 0.2540 0.0430  0.0277  -0.0218 28  ARG A CB    
204  C CG    . ARG A 28  ? 0.1769 0.2629 0.3074 0.0513  0.0263  -0.0216 28  ARG A CG    
205  C CD    . ARG A 28  ? 0.2258 0.3251 0.3697 0.0539  0.0217  -0.0168 28  ARG A CD    
206  N NE    . ARG A 28  ? 0.2161 0.3316 0.3665 0.0506  0.0270  -0.0190 28  ARG A NE    
207  C CZ    . ARG A 28  ? 0.2336 0.3564 0.3930 0.0542  0.0331  -0.0232 28  ARG A CZ    
208  N NH1   . ARG A 28  ? 0.2050 0.3197 0.3686 0.0616  0.0343  -0.0262 28  ARG A NH1   
209  N NH2   . ARG A 28  ? 0.1774 0.3154 0.3423 0.0502  0.0381  -0.0243 28  ARG A NH2   
210  N N     . PHE A 29  ? 0.0656 0.1348 0.1516 0.0308  0.0231  -0.0182 29  PHE A N     
211  C CA    . PHE A 29  ? 0.0705 0.1392 0.1445 0.0236  0.0205  -0.0143 29  PHE A CA    
212  C C     . PHE A 29  ? 0.0808 0.1624 0.1625 0.0204  0.0196  -0.0120 29  PHE A C     
213  O O     . PHE A 29  ? 0.1064 0.1910 0.1818 0.0138  0.0212  -0.0107 29  PHE A O     
214  C CB    . PHE A 29  ? 0.0581 0.1157 0.1237 0.0236  0.0136  -0.0094 29  PHE A CB    
215  C CG    . PHE A 29  ? 0.0606 0.1062 0.1154 0.0233  0.0146  -0.0109 29  PHE A CG    
216  C CD1   . PHE A 29  ? 0.0637 0.1075 0.1074 0.0181  0.0169  -0.0121 29  PHE A CD1   
217  C CD2   . PHE A 29  ? 0.0869 0.1236 0.1435 0.0279  0.0127  -0.0103 29  PHE A CD2   
218  C CE1   . PHE A 29  ? 0.0901 0.1247 0.1252 0.0173  0.0172  -0.0135 29  PHE A CE1   
219  C CE2   . PHE A 29  ? 0.1531 0.1795 0.2010 0.0267  0.0136  -0.0116 29  PHE A CE2   
220  C CZ    . PHE A 29  ? 0.1371 0.1632 0.1745 0.0213  0.0158  -0.0137 29  PHE A CZ    
221  N N     . SER A 30  ? 0.0795 0.1689 0.1757 0.0246  0.0168  -0.0108 30  SER A N     
222  C CA    A SER A 30  ? 0.1399 0.2427 0.2454 0.0210  0.0153  -0.0087 30  SER A CA    
223  C CA    B SER A 30  ? 0.1036 0.2064 0.2091 0.0210  0.0153  -0.0087 30  SER A CA    
224  C C     . SER A 30  ? 0.1155 0.2314 0.2273 0.0178  0.0236  -0.0123 30  SER A C     
225  O O     . SER A 30  ? 0.0939 0.2223 0.2146 0.0137  0.0233  -0.0106 30  SER A O     
226  C CB    A SER A 30  ? 0.0799 0.1896 0.2004 0.0267  0.0094  -0.0064 30  SER A CB    
227  C CB    B SER A 30  ? 0.0963 0.2064 0.2170 0.0266  0.0095  -0.0064 30  SER A CB    
228  O OG    A SER A 30  ? 0.0596 0.1711 0.1899 0.0341  0.0130  -0.0090 30  SER A OG    
229  O OG    B SER A 30  ? 0.0794 0.1794 0.1922 0.0278  0.0014  -0.0021 30  SER A OG    
230  N N     . SER A 31  ? 0.0607 0.1750 0.1677 0.0187  0.0313  -0.0175 31  SER A N     
231  C CA    . SER A 31  ? 0.0831 0.2070 0.1908 0.0151  0.0392  -0.0199 31  SER A CA    
232  C C     . SER A 31  ? 0.1051 0.2282 0.1976 0.0065  0.0426  -0.0190 31  SER A C     
233  O O     . SER A 31  ? 0.0750 0.2056 0.1663 0.0017  0.0479  -0.0186 31  SER A O     
234  C CB    . SER A 31  ? 0.1549 0.2763 0.2642 0.0211  0.0450  -0.0258 31  SER A CB    
235  O OG    . SER A 31  ? 0.1746 0.2991 0.2990 0.0287  0.0425  -0.0253 31  SER A OG    
236  N N     . ASN A 32  ? 0.1137 0.2242 0.1924 0.0045  0.0383  -0.0165 32  ASN A N     
237  C CA    . ASN A 32  ? 0.1110 0.2186 0.1740 -0.0024 0.0408  -0.0147 32  ASN A CA    
238  C C     . ASN A 32  ? 0.0661 0.1598 0.1184 -0.0044 0.0331  -0.0091 32  ASN A C     
239  O O     . ASN A 32  ? 0.0609 0.1477 0.1166 -0.0008 0.0269  -0.0074 32  ASN A O     
240  C CB    . ASN A 32  ? 0.1223 0.2288 0.1770 -0.0012 0.0471  -0.0215 32  ASN A CB    
241  C CG    . ASN A 32  ? 0.3365 0.4516 0.3929 -0.0024 0.0541  -0.0246 32  ASN A CG    
242  O OD1   . ASN A 32  ? 0.2851 0.4047 0.3330 -0.0092 0.0567  -0.0216 32  ASN A OD1   
243  N ND2   . ASN A 32  ? 0.4355 0.5520 0.5025 0.0045  0.0568  -0.0302 32  ASN A ND2   
244  N N     . THR A 33  ? 0.0702 0.1607 0.1095 -0.0100 0.0338  -0.0061 33  THR A N     
245  C CA    . THR A 33  ? 0.0682 0.1463 0.0982 -0.0116 0.0274  -0.0010 33  THR A CA    
246  C C     . THR A 33  ? 0.0676 0.1363 0.0898 -0.0076 0.0260  -0.0041 33  THR A C     
247  O O     . THR A 33  ? 0.1342 0.2051 0.1509 -0.0077 0.0304  -0.0086 33  THR A O     
248  C CB    . THR A 33  ? 0.0743 0.1533 0.0955 -0.0190 0.0280  0.0049  33  THR A CB    
249  O OG1   . THR A 33  ? 0.1178 0.2053 0.1467 -0.0238 0.0298  0.0083  33  THR A OG1   
250  C CG2   . THR A 33  ? 0.0922 0.1587 0.1073 -0.0194 0.0213  0.0100  33  THR A CG2   
251  N N     . MET A 34  ? 0.0625 0.1214 0.0843 -0.0048 0.0201  -0.0023 34  MET A N     
252  C CA    . MET A 34  ? 0.0620 0.1121 0.0772 -0.0021 0.0183  -0.0041 34  MET A CA    
253  C C     . MET A 34  ? 0.0777 0.1211 0.0858 -0.0045 0.0138  0.0009  34  MET A C     
254  O O     . MET A 34  ? 0.0769 0.1188 0.0876 -0.0060 0.0108  0.0048  34  MET A O     
255  C CB    . MET A 34  ? 0.0583 0.1038 0.0800 0.0038  0.0161  -0.0061 34  MET A CB    
256  C CG    . MET A 34  ? 0.1198 0.1602 0.1425 0.0048  0.0104  -0.0023 34  MET A CG    
257  S SD    . MET A 34  ? 0.1020 0.1322 0.1153 0.0047  0.0071  -0.0006 34  MET A SD    
258  C CE    . MET A 34  ? 0.1547 0.1815 0.1664 0.0073  0.0098  -0.0047 34  MET A CE    
259  N N     . THR A 35  ? 0.0781 0.1179 0.0783 -0.0051 0.0133  0.0003  35  THR A N     
260  C CA    . THR A 35  ? 0.0633 0.0982 0.0587 -0.0066 0.0091  0.0050  35  THR A CA    
261  C C     . THR A 35  ? 0.0842 0.1138 0.0771 -0.0042 0.0071  0.0032  35  THR A C     
262  O O     . THR A 35  ? 0.0930 0.1228 0.0843 -0.0034 0.0094  -0.0014 35  THR A O     
263  C CB    . THR A 35  ? 0.1409 0.1801 0.1292 -0.0117 0.0096  0.0089  35  THR A CB    
264  O OG1   . THR A 35  ? 0.1705 0.2155 0.1613 -0.0149 0.0122  0.0111  35  THR A OG1   
265  C CG2   . THR A 35  ? 0.1256 0.1595 0.1122 -0.0122 0.0044  0.0151  35  THR A CG2   
266  N N     . TRP A 36  ? 0.0699 0.0947 0.0632 -0.0031 0.0033  0.0064  36  TRP A N     
267  C CA    . TRP A 36  ? 0.0579 0.0797 0.0494 -0.0019 0.0016  0.0056  36  TRP A CA    
268  C C     . TRP A 36  ? 0.0612 0.0846 0.0495 -0.0041 -0.0013 0.0098  36  TRP A C     
269  O O     . TRP A 36  ? 0.0649 0.0875 0.0544 -0.0049 -0.0032 0.0144  36  TRP A O     
270  C CB    . TRP A 36  ? 0.0537 0.0707 0.0490 0.0016  0.0000  0.0055  36  TRP A CB    
271  C CG    . TRP A 36  ? 0.0520 0.0675 0.0498 0.0039  0.0014  0.0028  36  TRP A CG    
272  C CD1   . TRP A 36  ? 0.1052 0.1217 0.1068 0.0050  0.0014  0.0027  36  TRP A CD1   
273  C CD2   . TRP A 36  ? 0.0523 0.0651 0.0501 0.0055  0.0024  0.0007  36  TRP A CD2   
274  N NE1   . TRP A 36  ? 0.0789 0.0941 0.0827 0.0077  0.0019  0.0012  36  TRP A NE1   
275  C CE2   . TRP A 36  ? 0.0520 0.0639 0.0534 0.0080  0.0027  0.0003  36  TRP A CE2   
276  C CE3   . TRP A 36  ? 0.1229 0.1342 0.1188 0.0045  0.0028  -0.0004 36  TRP A CE3   
277  C CZ2   . TRP A 36  ? 0.0766 0.0848 0.0793 0.0100  0.0033  -0.0003 36  TRP A CZ2   
278  C CZ3   . TRP A 36  ? 0.0987 0.1059 0.0960 0.0057  0.0039  -0.0017 36  TRP A CZ3   
279  C CH2   . TRP A 36  ? 0.1355 0.1405 0.1360 0.0086  0.0041  -0.0012 36  TRP A CH2   
280  N N     . TYR A 37  ? 0.0631 0.0887 0.0481 -0.0053 -0.0019 0.0084  37  TYR A N     
281  C CA    . TYR A 37  ? 0.1054 0.1340 0.0885 -0.0069 -0.0058 0.0126  37  TYR A CA    
282  C C     . TYR A 37  ? 0.1103 0.1384 0.0967 -0.0053 -0.0072 0.0108  37  TYR A C     
283  O O     . TYR A 37  ? 0.1013 0.1269 0.0888 -0.0044 -0.0048 0.0063  37  TYR A O     
284  C CB    . TYR A 37  ? 0.0743 0.1095 0.0490 -0.0117 -0.0058 0.0128  37  TYR A CB    
285  C CG    . TYR A 37  ? 0.1028 0.1405 0.0734 -0.0143 -0.0031 0.0143  37  TYR A CG    
286  C CD1   . TYR A 37  ? 0.1693 0.2086 0.1385 -0.0148 0.0022  0.0082  37  TYR A CD1   
287  C CD2   . TYR A 37  ? 0.1581 0.1971 0.1275 -0.0162 -0.0055 0.0221  37  TYR A CD2   
288  C CE1   . TYR A 37  ? 0.2572 0.3010 0.2240 -0.0174 0.0055  0.0092  37  TYR A CE1   
289  C CE2   . TYR A 37  ? 0.1323 0.1745 0.0982 -0.0196 -0.0025 0.0241  37  TYR A CE2   
290  C CZ    . TYR A 37  ? 0.1850 0.2306 0.1496 -0.0203 0.0033  0.0173  37  TYR A CZ    
291  O OH    . TYR A 37  ? 0.2912 0.3423 0.2534 -0.0239 0.0072  0.0190  37  TYR A OH    
292  N N     . ARG A 38  ? 0.0667 0.0979 0.0556 -0.0050 -0.0111 0.0148  38  ARG A N     
293  C CA    . ARG A 38  ? 0.0630 0.0966 0.0558 -0.0045 -0.0122 0.0131  38  ARG A CA    
294  C C     . ARG A 38  ? 0.0682 0.1097 0.0600 -0.0071 -0.0170 0.0167  38  ARG A C     
295  O O     . ARG A 38  ? 0.0883 0.1320 0.0781 -0.0077 -0.0201 0.0223  38  ARG A O     
296  C CB    . ARG A 38  ? 0.1102 0.1409 0.1111 0.0001  -0.0118 0.0135  38  ARG A CB    
297  C CG    . ARG A 38  ? 0.1061 0.1368 0.1128 0.0031  -0.0150 0.0186  38  ARG A CG    
298  C CD    . ARG A 38  ? 0.1438 0.1711 0.1574 0.0076  -0.0131 0.0164  38  ARG A CD    
299  N NE    . ARG A 38  ? 0.1541 0.1799 0.1751 0.0112  -0.0157 0.0199  38  ARG A NE    
300  C CZ    . ARG A 38  ? 0.1615 0.1846 0.1894 0.0156  -0.0141 0.0174  38  ARG A CZ    
301  N NH1   . ARG A 38  ? 0.0560 0.0790 0.0826 0.0162  -0.0100 0.0122  38  ARG A NH1   
302  N NH2   . ARG A 38  ? 0.1478 0.1682 0.1837 0.0193  -0.0165 0.0202  38  ARG A NH2   
303  N N     . GLN A 39  ? 0.0684 0.1146 0.0619 -0.0091 -0.0179 0.0138  39  GLN A N     
304  C CA    . GLN A 39  ? 0.0778 0.1336 0.0708 -0.0123 -0.0233 0.0165  39  GLN A CA    
305  C C     . GLN A 39  ? 0.1907 0.2510 0.1947 -0.0104 -0.0247 0.0166  39  GLN A C     
306  O O     . GLN A 39  ? 0.1463 0.2072 0.1517 -0.0129 -0.0225 0.0116  39  GLN A O     
307  C CB    . GLN A 39  ? 0.1332 0.1919 0.1165 -0.0185 -0.0227 0.0111  39  GLN A CB    
308  C CG    . GLN A 39  ? 0.3148 0.3776 0.2873 -0.0221 -0.0245 0.0134  39  GLN A CG    
309  C CD    . GLN A 39  ? 0.2113 0.2773 0.1739 -0.0284 -0.0232 0.0058  39  GLN A CD    
310  O OE1   . GLN A 39  ? 0.2688 0.3337 0.2224 -0.0305 -0.0197 0.0029  39  GLN A OE1   
311  N NE2   . GLN A 39  ? 0.2409 0.3110 0.2061 -0.0317 -0.0254 0.0017  39  GLN A NE2   
312  N N     . ALA A 40  ? 0.1653 0.2290 0.1782 -0.0061 -0.0282 0.0223  40  ALA A N     
313  C CA    . ALA A 40  ? 0.2744 0.3445 0.3000 -0.0034 -0.0290 0.0224  40  ALA A CA    
314  C C     . ALA A 40  ? 0.3134 0.3964 0.3416 -0.0076 -0.0347 0.0239  40  ALA A C     
315  O O     . ALA A 40  ? 0.5010 0.5877 0.5208 -0.0116 -0.0392 0.0263  40  ALA A O     
316  C CB    . ALA A 40  ? 0.2824 0.3507 0.3181 0.0037  -0.0300 0.0269  40  ALA A CB    
317  N N     . PRO A 41  ? 0.3525 0.4436 0.3922 -0.0073 -0.0347 0.0225  41  PRO A N     
318  C CA    . PRO A 41  ? 0.3988 0.5035 0.4419 -0.0126 -0.0404 0.0229  41  PRO A CA    
319  C C     . PRO A 41  ? 0.4616 0.5687 0.5014 -0.0122 -0.0466 0.0281  41  PRO A C     
320  O O     . PRO A 41  ? 0.4311 0.5410 0.4613 -0.0182 -0.0494 0.0266  41  PRO A O     
321  C CB    . PRO A 41  ? 0.2539 0.3669 0.3137 -0.0100 -0.0386 0.0221  41  PRO A CB    
322  C CG    . PRO A 41  ? 0.2388 0.3405 0.2971 -0.0074 -0.0299 0.0179  41  PRO A CG    
323  C CD    . PRO A 41  ? 0.3566 0.4457 0.4056 -0.0035 -0.0288 0.0196  41  PRO A CD    
324  N N     . GLY A 42  ? 0.4986 0.6042 0.5461 -0.0053 -0.0485 0.0339  42  GLY A N     
325  C CA    . GLY A 42  ? 0.5152 0.6232 0.5608 -0.0048 -0.0545 0.0398  42  GLY A CA    
326  C C     . GLY A 42  ? 0.4732 0.5717 0.5091 -0.0036 -0.0549 0.0450  42  GLY A C     
327  O O     . GLY A 42  ? 0.4111 0.5098 0.4485 -0.0015 -0.0592 0.0516  42  GLY A O     
328  N N     . LYS A 43  ? 0.2932 0.3837 0.3199 -0.0053 -0.0504 0.0424  43  LYS A N     
329  C CA    . LYS A 43  ? 0.2137 0.2950 0.2333 -0.0043 -0.0496 0.0469  43  LYS A CA    
330  C C     . LYS A 43  ? 0.1989 0.2788 0.2018 -0.0109 -0.0475 0.0446  43  LYS A C     
331  O O     . LYS A 43  ? 0.2431 0.3265 0.2397 -0.0157 -0.0455 0.0379  43  LYS A O     
332  C CB    . LYS A 43  ? 0.1991 0.2713 0.2257 0.0014  -0.0454 0.0461  43  LYS A CB    
333  C CG    . LYS A 43  ? 0.3502 0.4226 0.3933 0.0087  -0.0462 0.0473  43  LYS A CG    
334  C CD    . LYS A 43  ? 0.2728 0.3350 0.3214 0.0140  -0.0419 0.0456  43  LYS A CD    
335  C CE    . LYS A 43  ? 0.3801 0.4425 0.4446 0.0214  -0.0418 0.0452  43  LYS A CE    
336  N NZ    . LYS A 43  ? 0.4217 0.4735 0.4909 0.0264  -0.0374 0.0421  43  LYS A NZ    
337  N N     . GLN A 44  ? 0.1418 0.2165 0.1385 -0.0114 -0.0474 0.0498  44  GLN A N     
338  C CA    . GLN A 44  ? 0.1510 0.2237 0.1335 -0.0166 -0.0439 0.0477  44  GLN A CA    
339  C C     . GLN A 44  ? 0.1365 0.2022 0.1190 -0.0149 -0.0385 0.0432  44  GLN A C     
340  O O     . GLN A 44  ? 0.0952 0.1560 0.0880 -0.0095 -0.0379 0.0438  44  GLN A O     
341  C CB    . GLN A 44  ? 0.2642 0.3344 0.2421 -0.0177 -0.0454 0.0556  44  GLN A CB    
342  C CG    . GLN A 44  ? 0.4598 0.5367 0.4383 -0.0187 -0.0515 0.0619  44  GLN A CG    
343  C CD    . GLN A 44  ? 0.6165 0.6881 0.5984 -0.0164 -0.0542 0.0718  44  GLN A CD    
344  O OE1   . GLN A 44  ? 0.6290 0.7006 0.6212 -0.0120 -0.0589 0.0771  44  GLN A OE1   
345  N NE2   . GLN A 44  ? 0.6227 0.6897 0.5971 -0.0194 -0.0509 0.0741  44  GLN A NE2   
346  N N     . ARG A 45  ? 0.1045 0.1700 0.0757 -0.0194 -0.0343 0.0385  45  ARG A N     
347  C CA    . ARG A 45  ? 0.1245 0.1840 0.0947 -0.0181 -0.0291 0.0343  45  ARG A CA    
348  C C     . ARG A 45  ? 0.1301 0.1821 0.1049 -0.0149 -0.0286 0.0406  45  ARG A C     
349  O O     . ARG A 45  ? 0.1531 0.2047 0.1254 -0.0165 -0.0302 0.0469  45  ARG A O     
350  C CB    . ARG A 45  ? 0.1283 0.1897 0.0865 -0.0232 -0.0242 0.0276  45  ARG A CB    
351  C CG    . ARG A 45  ? 0.1836 0.2373 0.1439 -0.0210 -0.0171 0.0211  45  ARG A CG    
352  C CD    . ARG A 45  ? 0.1895 0.2463 0.1398 -0.0253 -0.0121 0.0138  45  ARG A CD    
353  N NE    . ARG A 45  ? 0.1233 0.1820 0.0714 -0.0276 -0.0119 0.0059  45  ARG A NE    
354  C CZ    . ARG A 45  ? 0.1313 0.1920 0.0715 -0.0313 -0.0078 -0.0025 45  ARG A CZ    
355  N NH1   . ARG A 45  ? 0.1143 0.1772 0.0482 -0.0328 -0.0031 -0.0038 45  ARG A NH1   
356  N NH2   . ARG A 45  ? 0.1630 0.2236 0.1028 -0.0336 -0.0081 -0.0101 45  ARG A NH2   
357  N N     . GLU A 46  ? 0.0868 0.1307 0.0699 -0.0102 -0.0252 0.0370  46  GLU A N     
358  C CA    . GLU A 46  ? 0.1057 0.1417 0.0940 -0.0076 -0.0250 0.0415  46  GLU A CA    
359  C C     . GLU A 46  ? 0.1549 0.1851 0.1429 -0.0072 -0.0192 0.0354  46  GLU A C     
360  O O     . GLU A 46  ? 0.1354 0.1651 0.1241 -0.0058 -0.0160 0.0282  46  GLU A O     
361  C CB    . GLU A 46  ? 0.1963 0.2283 0.1971 -0.0017 -0.0282 0.0441  46  GLU A CB    
362  C CG    . GLU A 46  ? 0.3201 0.3509 0.3275 0.0022  -0.0253 0.0365  46  GLU A CG    
363  C CD    . GLU A 46  ? 0.4775 0.5049 0.4975 0.0083  -0.0271 0.0379  46  GLU A CD    
364  O OE1   . GLU A 46  ? 0.5442 0.5650 0.5687 0.0102  -0.0291 0.0428  46  GLU A OE1   
365  O OE2   . GLU A 46  ? 0.4775 0.5086 0.5036 0.0110  -0.0260 0.0339  46  GLU A OE2   
366  N N     . TRP A 47  ? 0.0847 0.1111 0.0722 -0.0087 -0.0183 0.0390  47  TRP A N     
367  C CA    . TRP A 47  ? 0.0796 0.1016 0.0690 -0.0082 -0.0139 0.0341  47  TRP A CA    
368  C C     . TRP A 47  ? 0.0733 0.0889 0.0709 -0.0031 -0.0139 0.0301  47  TRP A C     
369  O O     . TRP A 47  ? 0.0752 0.0868 0.0791 0.0000  -0.0169 0.0327  47  TRP A O     
370  C CB    . TRP A 47  ? 0.1518 0.1717 0.1408 -0.0117 -0.0136 0.0397  47  TRP A CB    
371  C CG    . TRP A 47  ? 0.0953 0.1122 0.0882 -0.0117 -0.0102 0.0355  47  TRP A CG    
372  C CD1   . TRP A 47  ? 0.0806 0.1023 0.0713 -0.0128 -0.0058 0.0300  47  TRP A CD1   
373  C CD2   . TRP A 47  ? 0.0832 0.0921 0.0835 -0.0110 -0.0114 0.0367  47  TRP A CD2   
374  N NE1   . TRP A 47  ? 0.0755 0.0942 0.0722 -0.0127 -0.0047 0.0283  47  TRP A NE1   
375  C CE2   . TRP A 47  ? 0.1106 0.1213 0.1125 -0.0121 -0.0081 0.0319  47  TRP A CE2   
376  C CE3   . TRP A 47  ? 0.1028 0.1030 0.1094 -0.0093 -0.0150 0.0409  47  TRP A CE3   
377  C CZ2   . TRP A 47  ? 0.1288 0.1338 0.1372 -0.0126 -0.0087 0.0309  47  TRP A CZ2   
378  C CZ3   . TRP A 47  ? 0.1316 0.1243 0.1446 -0.0097 -0.0150 0.0390  47  TRP A CZ3   
379  C CH2   . TRP A 47  ? 0.1805 0.1762 0.1938 -0.0118 -0.0121 0.0340  47  TRP A CH2   
380  N N     . VAL A 48  ? 0.0830 0.0980 0.0805 -0.0022 -0.0105 0.0238  48  VAL A N     
381  C CA    . VAL A 48  ? 0.0865 0.0966 0.0890 0.0017  -0.0100 0.0197  48  VAL A CA    
382  C C     . VAL A 48  ? 0.0894 0.0963 0.0937 0.0010  -0.0088 0.0179  48  VAL A C     
383  O O     . VAL A 48  ? 0.1215 0.1228 0.1302 0.0024  -0.0101 0.0173  48  VAL A O     
384  C CB    . VAL A 48  ? 0.0862 0.0988 0.0872 0.0033  -0.0081 0.0149  48  VAL A CB    
385  C CG1   . VAL A 48  ? 0.0808 0.0897 0.0845 0.0063  -0.0071 0.0111  48  VAL A CG1   
386  C CG2   . VAL A 48  ? 0.0583 0.0744 0.0602 0.0039  -0.0099 0.0163  48  VAL A CG2   
387  N N     . ALA A 49  ? 0.0611 0.0718 0.0628 -0.0013 -0.0064 0.0165  49  ALA A N     
388  C CA    . ALA A 49  ? 0.0604 0.0705 0.0654 -0.0020 -0.0057 0.0146  49  ALA A CA    
389  C C     . ALA A 49  ? 0.0850 0.1018 0.0890 -0.0047 -0.0027 0.0144  49  ALA A C     
390  O O     . ALA A 49  ? 0.0599 0.0809 0.0600 -0.0049 -0.0005 0.0132  49  ALA A O     
391  C CB    . ALA A 49  ? 0.0566 0.0651 0.0626 0.0013  -0.0058 0.0099  49  ALA A CB    
392  N N     . THR A 50  ? 0.0613 0.0797 0.0698 -0.0069 -0.0025 0.0146  50  THR A N     
393  C CA    . THR A 50  ? 0.0989 0.1255 0.1092 -0.0091 0.0010  0.0138  50  THR A CA    
394  C C     . THR A 50  ? 0.1098 0.1389 0.1272 -0.0081 0.0002  0.0110  50  THR A C     
395  O O     . THR A 50  ? 0.0717 0.0966 0.0921 -0.0091 -0.0029 0.0112  50  THR A O     
396  C CB    . THR A 50  ? 0.1461 0.1758 0.1560 -0.0147 0.0023  0.0189  50  THR A CB    
397  O OG1   . THR A 50  ? 0.1636 0.1926 0.1659 -0.0159 0.0022  0.0225  50  THR A OG1   
398  C CG2   . THR A 50  ? 0.0977 0.1379 0.1107 -0.0170 0.0069  0.0173  50  THR A CG2   
399  N N     . MET A 51  ? 0.0561 0.0922 0.0767 -0.0063 0.0029  0.0081  51  MET A N     
400  C CA    . MET A 51  ? 0.0710 0.1128 0.1002 -0.0059 0.0019  0.0066  51  MET A CA    
401  C C     . MET A 51  ? 0.0900 0.1428 0.1251 -0.0079 0.0065  0.0062  51  MET A C     
402  O O     . MET A 51  ? 0.0764 0.1327 0.1102 -0.0058 0.0107  0.0038  51  MET A O     
403  C CB    . MET A 51  ? 0.0638 0.1044 0.0942 -0.0005 -0.0002 0.0040  51  MET A CB    
404  C CG    . MET A 51  ? 0.0757 0.1240 0.1156 0.0000  -0.0024 0.0033  51  MET A CG    
405  S SD    . MET A 51  ? 0.1312 0.1797 0.1731 0.0063  -0.0056 0.0025  51  MET A SD    
406  C CE    . MET A 51  ? 0.1318 0.1703 0.1633 0.0059  -0.0098 0.0027  51  MET A CE    
407  N N     . ARG A 52  ? 0.0576 0.1162 0.0998 -0.0122 0.0062  0.0078  52  ARG A N     
408  C CA    . ARG A 52  ? 0.0592 0.1306 0.1086 -0.0146 0.0114  0.0074  52  ARG A CA    
409  C C     . ARG A 52  ? 0.0557 0.1358 0.1158 -0.0095 0.0117  0.0036  52  ARG A C     
410  O O     . ARG A 52  ? 0.0528 0.1290 0.1145 -0.0051 0.0070  0.0025  52  ARG A O     
411  C CB    . ARG A 52  ? 0.1004 0.1759 0.1550 -0.0222 0.0113  0.0112  52  ARG A CB    
412  C CG    . ARG A 52  ? 0.0943 0.1599 0.1402 -0.0271 0.0101  0.0165  52  ARG A CG    
413  C CD    . ARG A 52  ? 0.1718 0.2431 0.2228 -0.0355 0.0122  0.0214  52  ARG A CD    
414  N NE    . ARG A 52  ? 0.0787 0.1633 0.1295 -0.0376 0.0196  0.0216  52  ARG A NE    
415  C CZ    . ARG A 52  ? 0.1036 0.1879 0.1434 -0.0396 0.0232  0.0245  52  ARG A CZ    
416  N NH1   . ARG A 52  ? 0.1014 0.1732 0.1311 -0.0393 0.0194  0.0283  52  ARG A NH1   
417  N NH2   . ARG A 52  ? 0.1773 0.2747 0.2161 -0.0417 0.0306  0.0232  52  ARG A NH2   
418  N N     . SER A 53  ? 0.0572 0.1500 0.1251 -0.0100 0.0176  0.0018  53  SER A N     
419  C CA    . SER A 53  ? 0.0928 0.1953 0.1743 -0.0044 0.0181  -0.0015 53  SER A CA    
420  C C     . SER A 53  ? 0.1267 0.2315 0.2167 -0.0045 0.0107  0.0003  53  SER A C     
421  O O     . SER A 53  ? 0.0506 0.1561 0.1462 0.0016  0.0069  -0.0006 53  SER A O     
422  C CB    . SER A 53  ? 0.0602 0.1786 0.1514 -0.0063 0.0259  -0.0037 53  SER A CB    
423  O OG    . SER A 53  ? 0.0601 0.1860 0.1550 -0.0146 0.0264  0.0001  53  SER A OG    
424  N N     . ILE A 54  ? 0.0970 0.2027 0.1877 -0.0117 0.0083  0.0030  54  ILE A N     
425  C CA    . ILE A 54  ? 0.0991 0.2081 0.1975 -0.0133 0.0012  0.0036  54  ILE A CA    
426  C C     . ILE A 54  ? 0.0536 0.1491 0.1417 -0.0113 -0.0057 0.0035  54  ILE A C     
427  O O     . ILE A 54  ? 0.0623 0.1597 0.1539 -0.0131 -0.0121 0.0032  54  ILE A O     
428  C CB    . ILE A 54  ? 0.0576 0.1721 0.1619 -0.0227 0.0012  0.0057  54  ILE A CB    
429  C CG1   . ILE A 54  ? 0.0724 0.1736 0.1645 -0.0283 0.0024  0.0086  54  ILE A CG1   
430  C CG2   . ILE A 54  ? 0.0581 0.1910 0.1763 -0.0249 0.0078  0.0056  54  ILE A CG2   
431  C CD1   . ILE A 54  ? 0.0826 0.1853 0.1807 -0.0379 0.0010  0.0113  54  ILE A CD1   
432  N N     . GLY A 55  ? 0.0529 0.1358 0.1282 -0.0084 -0.0045 0.0035  55  GLY A N     
433  C CA    . GLY A 55  ? 0.0602 0.1322 0.1262 -0.0060 -0.0096 0.0031  55  GLY A CA    
434  C C     . GLY A 55  ? 0.1162 0.1772 0.1739 -0.0106 -0.0114 0.0034  55  GLY A C     
435  O O     . GLY A 55  ? 0.0640 0.1165 0.1139 -0.0087 -0.0147 0.0021  55  GLY A O     
436  N N     . THR A 56  ? 0.0594 0.1203 0.1191 -0.0165 -0.0091 0.0052  56  THR A N     
437  C CA    . THR A 56  ? 0.0644 0.1135 0.1185 -0.0204 -0.0109 0.0060  56  THR A CA    
438  C C     . THR A 56  ? 0.0635 0.1028 0.1073 -0.0171 -0.0087 0.0073  56  THR A C     
439  O O     . THR A 56  ? 0.0607 0.1033 0.1021 -0.0152 -0.0046 0.0087  56  THR A O     
440  C CB    . THR A 56  ? 0.0697 0.1210 0.1299 -0.0280 -0.0092 0.0091  56  THR A CB    
441  O OG1   . THR A 56  ? 0.0683 0.1273 0.1291 -0.0287 -0.0031 0.0122  56  THR A OG1   
442  C CG2   . THR A 56  ? 0.0800 0.1406 0.1515 -0.0324 -0.0123 0.0073  56  THR A CG2   
443  N N     . THR A 57  ? 0.0669 0.0949 0.1056 -0.0168 -0.0115 0.0064  57  THR A N     
444  C CA    . THR A 57  ? 0.0826 0.1031 0.1133 -0.0130 -0.0103 0.0071  57  THR A CA    
445  C C     . THR A 57  ? 0.1197 0.1302 0.1493 -0.0153 -0.0111 0.0098  57  THR A C     
446  O O     . THR A 57  ? 0.0880 0.0926 0.1215 -0.0186 -0.0135 0.0089  57  THR A O     
447  C CB    . THR A 57  ? 0.0976 0.1151 0.1236 -0.0082 -0.0124 0.0032  57  THR A CB    
448  O OG1   . THR A 57  ? 0.0856 0.0998 0.1128 -0.0101 -0.0161 -0.0004 57  THR A OG1   
449  C CG2   . THR A 57  ? 0.1042 0.1296 0.1307 -0.0048 -0.0118 0.0025  57  THR A CG2   
450  N N     . ARG A 58  ? 0.0712 0.0795 0.0961 -0.0136 -0.0093 0.0132  58  ARG A N     
451  C CA    A ARG A 58  ? 0.0775 0.0765 0.1018 -0.0140 -0.0107 0.0168  58  ARG A CA    
452  C CA    B ARG A 58  ? 0.0774 0.0766 0.1017 -0.0141 -0.0106 0.0168  58  ARG A CA    
453  C C     . ARG A 58  ? 0.0899 0.0868 0.1094 -0.0088 -0.0106 0.0161  58  ARG A C     
454  O O     . ARG A 58  ? 0.0754 0.0783 0.0907 -0.0068 -0.0087 0.0152  58  ARG A O     
455  C CB    A ARG A 58  ? 0.0831 0.0835 0.1076 -0.0190 -0.0094 0.0243  58  ARG A CB    
456  C CB    B ARG A 58  ? 0.0827 0.0836 0.1070 -0.0189 -0.0092 0.0242  58  ARG A CB    
457  C CG    A ARG A 58  ? 0.1330 0.1327 0.1640 -0.0256 -0.0097 0.0269  58  ARG A CG    
458  C CG    B ARG A 58  ? 0.1236 0.1290 0.1536 -0.0250 -0.0083 0.0255  58  ARG A CG    
459  C CD    A ARG A 58  ? 0.0984 0.0851 0.1349 -0.0265 -0.0134 0.0256  58  ARG A CD    
460  C CD    B ARG A 58  ? 0.0948 0.0999 0.1245 -0.0309 -0.0071 0.0340  58  ARG A CD    
461  N NE    A ARG A 58  ? 0.1093 0.0913 0.1514 -0.0337 -0.0140 0.0316  58  ARG A NE    
462  N NE    B ARG A 58  ? 0.2338 0.2336 0.2714 -0.0367 -0.0088 0.0358  58  ARG A NE    
463  C CZ    A ARG A 58  ? 0.1797 0.1502 0.2285 -0.0363 -0.0169 0.0298  58  ARG A CZ    
464  C CZ    B ARG A 58  ? 0.1116 0.1130 0.1514 -0.0439 -0.0073 0.0431  58  ARG A CZ    
465  N NH1   A ARG A 58  ? 0.1186 0.0825 0.1682 -0.0321 -0.0191 0.0213  58  ARG A NH1   
466  N NH1   B ARG A 58  ? 0.1415 0.1368 0.1895 -0.0497 -0.0091 0.0442  58  ARG A NH1   
467  N NH2   A ARG A 58  ? 0.1299 0.0955 0.1843 -0.0436 -0.0173 0.0362  58  ARG A NH2   
468  N NH2   B ARG A 58  ? 0.1133 0.1225 0.1466 -0.0460 -0.0039 0.0491  58  ARG A NH2   
469  N N     . TYR A 59  ? 0.0789 0.0671 0.1002 -0.0066 -0.0127 0.0160  59  TYR A N     
470  C CA    . TYR A 59  ? 0.0838 0.0711 0.1029 -0.0017 -0.0126 0.0149  59  TYR A CA    
471  C C     . TYR A 59  ? 0.0827 0.0644 0.1050 -0.0007 -0.0146 0.0204  59  TYR A C     
472  O O     . TYR A 59  ? 0.0912 0.0650 0.1187 -0.0024 -0.0164 0.0229  59  TYR A O     
473  C CB    . TYR A 59  ? 0.0759 0.0602 0.0953 0.0018  -0.0127 0.0077  59  TYR A CB    
474  C CG    . TYR A 59  ? 0.0922 0.0819 0.1084 0.0011  -0.0121 0.0035  59  TYR A CG    
475  C CD1   . TYR A 59  ? 0.0783 0.0738 0.0900 0.0033  -0.0105 0.0026  59  TYR A CD1   
476  C CD2   . TYR A 59  ? 0.1194 0.1082 0.1380 -0.0021 -0.0136 0.0008  59  TYR A CD2   
477  C CE1   . TYR A 59  ? 0.0674 0.0674 0.0771 0.0032  -0.0106 0.0002  59  TYR A CE1   
478  C CE2   . TYR A 59  ? 0.0945 0.0896 0.1110 -0.0024 -0.0141 -0.0021 59  TYR A CE2   
479  C CZ    . TYR A 59  ? 0.1037 0.1041 0.1157 0.0007  -0.0127 -0.0019 59  TYR A CZ    
480  O OH    . TYR A 59  ? 0.0764 0.0826 0.0871 0.0009  -0.0138 -0.0034 59  TYR A OH    
481  N N     . ALA A 60  ? 0.0796 0.0653 0.0996 0.0020  -0.0147 0.0223  60  ALA A N     
482  C CA    . ALA A 60  ? 0.1347 0.1172 0.1588 0.0041  -0.0174 0.0279  60  ALA A CA    
483  C C     . ALA A 60  ? 0.1177 0.0921 0.1501 0.0089  -0.0183 0.0241  60  ALA A C     
484  O O     . ALA A 60  ? 0.1051 0.0793 0.1373 0.0113  -0.0162 0.0162  60  ALA A O     
485  C CB    . ALA A 60  ? 0.1080 0.0989 0.1284 0.0055  -0.0176 0.0295  60  ALA A CB    
486  N N     A SER A 61  ? 0.1178 0.0856 0.1572 0.0105  -0.0214 0.0299  61  SER A N     
487  N N     B SER A 61  ? 0.1181 0.0857 0.1575 0.0105  -0.0214 0.0299  61  SER A N     
488  C CA    A SER A 61  ? 0.1338 0.0930 0.1832 0.0159  -0.0219 0.0257  61  SER A CA    
489  C CA    B SER A 61  ? 0.1347 0.0939 0.1840 0.0159  -0.0220 0.0257  61  SER A CA    
490  C C     A SER A 61  ? 0.0999 0.0657 0.1512 0.0215  -0.0199 0.0199  61  SER A C     
491  C C     B SER A 61  ? 0.1228 0.0889 0.1732 0.0212  -0.0196 0.0194  61  SER A C     
492  O O     A SER A 61  ? 0.1592 0.1207 0.2158 0.0255  -0.0179 0.0122  61  SER A O     
493  O O     B SER A 61  ? 0.1539 0.1166 0.2076 0.0245  -0.0172 0.0110  61  SER A O     
494  C CB    A SER A 61  ? 0.1668 0.1177 0.2251 0.0173  -0.0261 0.0345  61  SER A CB    
495  C CB    B SER A 61  ? 0.1620 0.1141 0.2205 0.0179  -0.0262 0.0347  61  SER A CB    
496  O OG    A SER A 61  ? 0.1786 0.1382 0.2349 0.0178  -0.0287 0.0426  61  SER A OG    
497  O OG    B SER A 61  ? 0.1456 0.0877 0.2055 0.0132  -0.0277 0.0391  61  SER A OG    
498  N N     . SER A 62  ? 0.0924 0.0689 0.1396 0.0214  -0.0200 0.0229  62  SER A N     
499  C CA    . SER A 62  ? 0.1671 0.1509 0.2172 0.0258  -0.0179 0.0183  62  SER A CA    
500  C C     . SER A 62  ? 0.1920 0.1790 0.2351 0.0249  -0.0134 0.0099  62  SER A C     
501  O O     . SER A 62  ? 0.1238 0.1158 0.1695 0.0281  -0.0106 0.0052  62  SER A O     
502  C CB    . SER A 62  ? 0.1277 0.1219 0.1765 0.0250  -0.0202 0.0242  62  SER A CB    
503  O OG    . SER A 62  ? 0.2337 0.2322 0.2711 0.0194  -0.0195 0.0255  62  SER A OG    
504  N N     . VAL A 63  ? 0.0785 0.0639 0.1133 0.0205  -0.0126 0.0085  63  VAL A N     
505  C CA    . VAL A 63  ? 0.0740 0.0626 0.1021 0.0197  -0.0093 0.0022  63  VAL A CA    
506  C C     . VAL A 63  ? 0.1493 0.1318 0.1753 0.0182  -0.0090 -0.0028 63  VAL A C     
507  O O     . VAL A 63  ? 0.1426 0.1281 0.1627 0.0176  -0.0071 -0.0077 63  VAL A O     
508  C CB    . VAL A 63  ? 0.0704 0.0656 0.0908 0.0164  -0.0087 0.0047  63  VAL A CB    
509  C CG1   . VAL A 63  ? 0.1077 0.1090 0.1296 0.0166  -0.0095 0.0088  63  VAL A CG1   
510  C CG2   . VAL A 63  ? 0.0665 0.0597 0.0839 0.0123  -0.0101 0.0075  63  VAL A CG2   
511  N N     . GLU A 64  ? 0.1617 0.1361 0.1922 0.0169  -0.0113 -0.0015 64  GLU A N     
512  C CA    . GLU A 64  ? 0.1610 0.1305 0.1897 0.0140  -0.0116 -0.0066 64  GLU A CA    
513  C C     . GLU A 64  ? 0.1120 0.0803 0.1397 0.0168  -0.0094 -0.0160 64  GLU A C     
514  O O     . GLU A 64  ? 0.1412 0.1080 0.1743 0.0214  -0.0077 -0.0188 64  GLU A O     
515  C CB    . GLU A 64  ? 0.1806 0.1403 0.2161 0.0117  -0.0143 -0.0034 64  GLU A CB    
516  C CG    . GLU A 64  ? 0.2686 0.2198 0.3138 0.0161  -0.0151 -0.0029 64  GLU A CG    
517  C CD    . GLU A 64  ? 0.4223 0.3640 0.4718 0.0173  -0.0145 -0.0123 64  GLU A CD    
518  O OE1   . GLU A 64  ? 0.4968 0.4291 0.5563 0.0212  -0.0151 -0.0127 64  GLU A OE1   
519  O OE2   . GLU A 64  ? 0.4606 0.4041 0.5037 0.0144  -0.0136 -0.0194 64  GLU A OE2   
520  N N     . GLY A 65  ? 0.1438 0.1143 0.1646 0.0139  -0.0093 -0.0209 65  GLY A N     
521  C CA    . GLY A 65  ? 0.2477 0.2190 0.2642 0.0154  -0.0071 -0.0300 65  GLY A CA    
522  C C     . GLY A 65  ? 0.2196 0.2003 0.2294 0.0174  -0.0039 -0.0303 65  GLY A C     
523  O O     . GLY A 65  ? 0.2845 0.2683 0.2874 0.0173  -0.0019 -0.0367 65  GLY A O     
524  N N     . ARG A 66  ? 0.0882 0.0738 0.0995 0.0186  -0.0032 -0.0235 66  ARG A N     
525  C CA    . ARG A 66  ? 0.0837 0.0775 0.0896 0.0195  -0.0003 -0.0226 66  ARG A CA    
526  C C     . ARG A 66  ? 0.1217 0.1198 0.1222 0.0167  -0.0016 -0.0169 66  ARG A C     
527  O O     . ARG A 66  ? 0.1382 0.1411 0.1319 0.0160  -0.0001 -0.0168 66  ARG A O     
528  C CB    . ARG A 66  ? 0.0808 0.0775 0.0944 0.0229  0.0017  -0.0204 66  ARG A CB    
529  C CG    . ARG A 66  ? 0.0889 0.0826 0.1106 0.0272  0.0037  -0.0263 66  ARG A CG    
530  C CD    . ARG A 66  ? 0.1182 0.1174 0.1493 0.0311  0.0054  -0.0238 66  ARG A CD    
531  N NE    . ARG A 66  ? 0.0823 0.0815 0.1182 0.0305  0.0014  -0.0153 66  ARG A NE    
532  C CZ    . ARG A 66  ? 0.1021 0.1090 0.1374 0.0292  0.0012  -0.0104 66  ARG A CZ    
533  N NH1   . ARG A 66  ? 0.0948 0.1019 0.1329 0.0281  -0.0027 -0.0036 66  ARG A NH1   
534  N NH2   . ARG A 66  ? 0.0703 0.0849 0.1019 0.0283  0.0050  -0.0123 66  ARG A NH2   
535  N N     . PHE A 67  ? 0.1466 0.1428 0.1501 0.0151  -0.0041 -0.0120 67  PHE A N     
536  C CA    . PHE A 67  ? 0.1478 0.1475 0.1480 0.0132  -0.0048 -0.0076 67  PHE A CA    
537  C C     . PHE A 67  ? 0.1076 0.1066 0.1069 0.0107  -0.0074 -0.0078 67  PHE A C     
538  O O     . PHE A 67  ? 0.1251 0.1202 0.1284 0.0093  -0.0090 -0.0086 67  PHE A O     
539  C CB    . PHE A 67  ? 0.0603 0.0609 0.0641 0.0128  -0.0050 -0.0027 67  PHE A CB    
540  C CG    . PHE A 67  ? 0.0749 0.0785 0.0806 0.0145  -0.0034 -0.0017 67  PHE A CG    
541  C CD1   . PHE A 67  ? 0.1010 0.1063 0.1076 0.0168  -0.0011 -0.0050 67  PHE A CD1   
542  C CD2   . PHE A 67  ? 0.0979 0.1040 0.1047 0.0134  -0.0040 0.0021  67  PHE A CD2   
543  C CE1   . PHE A 67  ? 0.0892 0.0992 0.0997 0.0179  0.0004  -0.0039 67  PHE A CE1   
544  C CE2   . PHE A 67  ? 0.0577 0.0680 0.0673 0.0141  -0.0033 0.0030  67  PHE A CE2   
545  C CZ    . PHE A 67  ? 0.0683 0.0808 0.0806 0.0165  -0.0011 0.0003  67  PHE A CZ    
546  N N     A THR A 68  ? 0.0742 0.0771 0.0696 0.0101  -0.0079 -0.0066 68  THR A N     
547  N N     B THR A 68  ? 0.0705 0.0734 0.0659 0.0101  -0.0079 -0.0066 68  THR A N     
548  C CA    A THR A 68  ? 0.0921 0.0972 0.0883 0.0082  -0.0106 -0.0063 68  THR A CA    
549  C CA    B THR A 68  ? 0.0858 0.0904 0.0827 0.0080  -0.0106 -0.0063 68  THR A CA    
550  C C     A THR A 68  ? 0.1036 0.1123 0.1016 0.0086  -0.0102 -0.0023 68  THR A C     
551  C C     B THR A 68  ? 0.1056 0.1145 0.1033 0.0085  -0.0105 -0.0026 68  THR A C     
552  O O     A THR A 68  ? 0.1120 0.1211 0.1076 0.0101  -0.0084 -0.0005 68  THR A O     
553  O O     B THR A 68  ? 0.1266 0.1363 0.1210 0.0101  -0.0094 -0.0010 68  THR A O     
554  C CB    A THR A 68  ? 0.0888 0.0962 0.0793 0.0077  -0.0126 -0.0093 68  THR A CB    
555  C CB    B THR A 68  ? 0.0812 0.0871 0.0739 0.0070  -0.0130 -0.0103 68  THR A CB    
556  O OG1   A THR A 68  ? 0.1181 0.1223 0.1058 0.0079  -0.0116 -0.0147 68  THR A OG1   
557  O OG1   B THR A 68  ? 0.1094 0.1182 0.0950 0.0084  -0.0121 -0.0099 68  THR A OG1   
558  C CG2   A THR A 68  ? 0.0730 0.0837 0.0666 0.0052  -0.0165 -0.0097 68  THR A CG2   
559  C CG2   B THR A 68  ? 0.1701 0.1706 0.1635 0.0062  -0.0130 -0.0160 68  THR A CG2   
560  N N     . LEU A 69  ? 0.0822 0.0936 0.0852 0.0069  -0.0114 -0.0013 69  LEU A N     
561  C CA    A LEU A 69  ? 0.0892 0.1050 0.0955 0.0078  -0.0107 0.0010  69  LEU A CA    
562  C CA    B LEU A 69  ? 0.0970 0.1127 0.1031 0.0079  -0.0107 0.0010  69  LEU A CA    
563  C C     . LEU A 69  ? 0.1093 0.1303 0.1178 0.0082  -0.0140 0.0012  69  LEU A C     
564  O O     . LEU A 69  ? 0.1387 0.1615 0.1483 0.0059  -0.0169 -0.0007 69  LEU A O     
565  C CB    A LEU A 69  ? 0.1123 0.1302 0.1237 0.0057  -0.0089 0.0020  69  LEU A CB    
566  C CB    B LEU A 69  ? 0.1181 0.1358 0.1291 0.0059  -0.0087 0.0021  69  LEU A CB    
567  C CG    A LEU A 69  ? 0.1588 0.1748 0.1683 0.0055  -0.0059 0.0032  69  LEU A CG    
568  C CG    B LEU A 69  ? 0.1386 0.1539 0.1473 0.0057  -0.0059 0.0032  69  LEU A CG    
569  C CD1   A LEU A 69  ? 0.1508 0.1707 0.1636 0.0025  -0.0042 0.0046  69  LEU A CD1   
570  C CD1   B LEU A 69  ? 0.1176 0.1277 0.1237 0.0054  -0.0066 0.0032  69  LEU A CD1   
571  C CD2   A LEU A 69  ? 0.1210 0.1371 0.1288 0.0081  -0.0041 0.0030  69  LEU A CD2   
572  C CD2   B LEU A 69  ? 0.1492 0.1685 0.1611 0.0030  -0.0039 0.0045  69  LEU A CD2   
573  N N     . SER A 70  ? 0.0790 0.1021 0.0889 0.0110  -0.0139 0.0035  70  SER A N     
574  C CA    . SER A 70  ? 0.0843 0.1139 0.0990 0.0121  -0.0176 0.0049  70  SER A CA    
575  C C     . SER A 70  ? 0.0826 0.1141 0.1044 0.0156  -0.0155 0.0068  70  SER A C     
576  O O     . SER A 70  ? 0.1018 0.1284 0.1221 0.0166  -0.0116 0.0066  70  SER A O     
577  C CB    . SER A 70  ? 0.1374 0.1672 0.1449 0.0126  -0.0215 0.0061  70  SER A CB    
578  O OG    . SER A 70  ? 0.1674 0.1926 0.1701 0.0150  -0.0197 0.0091  70  SER A OG    
579  N N     . ARG A 71  ? 0.0586 0.0976 0.0892 0.0172  -0.0182 0.0081  71  ARG A N     
580  C CA    . ARG A 71  ? 0.0581 0.0996 0.0983 0.0213  -0.0157 0.0088  71  ARG A CA    
581  C C     . ARG A 71  ? 0.1458 0.1919 0.1924 0.0254  -0.0208 0.0128  71  ARG A C     
582  O O     . ARG A 71  ? 0.1088 0.1618 0.1563 0.0240  -0.0263 0.0142  71  ARG A O     
583  C CB    . ARG A 71  ? 0.0742 0.1231 0.1232 0.0195  -0.0123 0.0059  71  ARG A CB    
584  C CG    . ARG A 71  ? 0.0737 0.1273 0.1342 0.0239  -0.0088 0.0048  71  ARG A CG    
585  C CD    . ARG A 71  ? 0.0698 0.1310 0.1356 0.0207  -0.0036 0.0015  71  ARG A CD    
586  N NE    . ARG A 71  ? 0.0827 0.1544 0.1559 0.0176  -0.0065 0.0023  71  ARG A NE    
587  C CZ    . ARG A 71  ? 0.0959 0.1745 0.1726 0.0128  -0.0031 0.0009  71  ARG A CZ    
588  N NH1   . ARG A 71  ? 0.0500 0.1264 0.1217 0.0106  0.0032  -0.0009 71  ARG A NH1   
589  N NH2   . ARG A 71  ? 0.0729 0.1611 0.1578 0.0094  -0.0062 0.0018  71  ARG A NH2   
590  N N     . ASP A 72  ? 0.0752 0.1169 0.1260 0.0303  -0.0193 0.0149  72  ASP A N     
591  C CA    . ASP A 72  ? 0.0881 0.1330 0.1476 0.0355  -0.0240 0.0200  72  ASP A CA    
592  C C     . ASP A 72  ? 0.1191 0.1683 0.1946 0.0402  -0.0201 0.0173  72  ASP A C     
593  O O     . ASP A 72  ? 0.0987 0.1398 0.1756 0.0426  -0.0150 0.0150  72  ASP A O     
594  C CB    . ASP A 72  ? 0.1171 0.1515 0.1693 0.0375  -0.0254 0.0253  72  ASP A CB    
595  C CG    . ASP A 72  ? 0.2075 0.2437 0.2672 0.0426  -0.0311 0.0320  72  ASP A CG    
596  O OD1   . ASP A 72  ? 0.1905 0.2331 0.2627 0.0461  -0.0313 0.0302  72  ASP A OD1   
597  O OD2   . ASP A 72  ? 0.2859 0.3158 0.3360 0.0421  -0.0341 0.0375  72  ASP A OD2   
598  N N     . ASN A 73  ? 0.0700 0.1325 0.1581 0.0412  -0.0222 0.0169  73  ASN A N     
599  C CA    . ASN A 73  ? 0.0702 0.1385 0.1729 0.0452  -0.0170 0.0128  73  ASN A CA    
600  C C     . ASN A 73  ? 0.0975 0.1590 0.2045 0.0518  -0.0172 0.0146  73  ASN A C     
601  O O     . ASN A 73  ? 0.1155 0.1733 0.2280 0.0549  -0.0109 0.0100  73  ASN A O     
602  C CB    . ASN A 73  ? 0.0680 0.1525 0.1808 0.0434  -0.0186 0.0115  73  ASN A CB    
603  C CG    . ASN A 73  ? 0.1104 0.2004 0.2210 0.0362  -0.0150 0.0079  73  ASN A CG    
604  O OD1   . ASN A 73  ? 0.1171 0.1997 0.2188 0.0335  -0.0088 0.0043  73  ASN A OD1   
605  N ND2   . ASN A 73  ? 0.1792 0.2808 0.2948 0.0321  -0.0192 0.0087  73  ASN A ND2   
606  N N     . ALA A 74  ? 0.0948 0.1535 0.1981 0.0535  -0.0243 0.0210  74  ALA A N     
607  C CA    . ALA A 74  ? 0.1742 0.2261 0.2826 0.0597  -0.0252 0.0239  74  ALA A CA    
608  C C     . ALA A 74  ? 0.1050 0.1406 0.2082 0.0605  -0.0206 0.0229  74  ALA A C     
609  O O     . ALA A 74  ? 0.1264 0.1557 0.2368 0.0653  -0.0179 0.0215  74  ALA A O     
610  C CB    . ALA A 74  ? 0.2009 0.2535 0.3049 0.0605  -0.0340 0.0318  74  ALA A CB    
611  N N     . LYS A 75  ? 0.0983 0.1277 0.1901 0.0557  -0.0192 0.0227  75  LYS A N     
612  C CA    . LYS A 75  ? 0.1303 0.1453 0.2174 0.0553  -0.0148 0.0211  75  LYS A CA    
613  C C     . LYS A 75  ? 0.1322 0.1479 0.2204 0.0532  -0.0072 0.0125  75  LYS A C     
614  O O     . LYS A 75  ? 0.1059 0.1107 0.1900 0.0519  -0.0032 0.0095  75  LYS A O     
615  C CB    . LYS A 75  ? 0.1472 0.1549 0.2205 0.0512  -0.0180 0.0272  75  LYS A CB    
616  C CG    . LYS A 75  ? 0.2253 0.2315 0.2941 0.0522  -0.0248 0.0359  75  LYS A CG    
617  C CD    . LYS A 75  ? 0.1604 0.1588 0.2149 0.0477  -0.0260 0.0412  75  LYS A CD    
618  C CE    . LYS A 75  ? 0.3452 0.3405 0.3950 0.0485  -0.0314 0.0498  75  LYS A CE    
619  N NZ    . LYS A 75  ? 0.3813 0.3676 0.4185 0.0441  -0.0307 0.0549  75  LYS A NZ    
620  N N     . ASN A 76  ? 0.0852 0.1140 0.1787 0.0521  -0.0052 0.0083  76  ASN A N     
621  C CA    . ASN A 76  ? 0.0792 0.1110 0.1704 0.0484  0.0019  0.0004  76  ASN A CA    
622  C C     . ASN A 76  ? 0.0773 0.0993 0.1517 0.0425  0.0031  -0.0003 76  ASN A C     
623  O O     . ASN A 76  ? 0.0797 0.0958 0.1505 0.0410  0.0083  -0.0059 76  ASN A O     
624  C CB    . ASN A 76  ? 0.1417 0.1726 0.2413 0.0520  0.0084  -0.0067 76  ASN A CB    
625  C CG    . ASN A 76  ? 0.0979 0.1380 0.1970 0.0484  0.0155  -0.0144 76  ASN A CG    
626  O OD1   . ASN A 76  ? 0.0970 0.1456 0.1914 0.0433  0.0149  -0.0132 76  ASN A OD1   
627  N ND2   . ASN A 76  ? 0.0901 0.1270 0.1895 0.0493  0.0220  -0.0216 76  ASN A ND2   
628  N N     . THR A 77  ? 0.1293 0.1506 0.1935 0.0390  -0.0017 0.0048  77  THR A N     
629  C CA    . THR A 77  ? 0.0776 0.0912 0.1280 0.0342  -0.0011 0.0049  77  THR A CA    
630  C C     . THR A 77  ? 0.0655 0.0846 0.1077 0.0295  -0.0032 0.0057  77  THR A C     
631  O O     . THR A 77  ? 0.0671 0.0926 0.1114 0.0297  -0.0075 0.0086  77  THR A O     
632  C CB    . THR A 77  ? 0.1105 0.1143 0.1569 0.0354  -0.0042 0.0107  77  THR A CB    
633  O OG1   . THR A 77  ? 0.1212 0.1170 0.1761 0.0395  -0.0021 0.0098  77  THR A OG1   
634  C CG2   . THR A 77  ? 0.0878 0.0862 0.1215 0.0301  -0.0031 0.0106  77  THR A CG2   
635  N N     . VAL A 78  ? 0.0660 0.0826 0.0998 0.0252  -0.0005 0.0031  78  VAL A N     
636  C CA    . VAL A 78  ? 0.0738 0.0931 0.1006 0.0212  -0.0023 0.0038  78  VAL A CA    
637  C C     . VAL A 78  ? 0.0890 0.1016 0.1066 0.0195  -0.0030 0.0054  78  VAL A C     
638  O O     . VAL A 78  ? 0.1156 0.1225 0.1312 0.0193  -0.0007 0.0046  78  VAL A O     
639  C CB    . VAL A 78  ? 0.0606 0.0841 0.0870 0.0178  0.0010  0.0005  78  VAL A CB    
640  C CG1   . VAL A 78  ? 0.1169 0.1395 0.1364 0.0141  -0.0008 0.0017  78  VAL A CG1   
641  C CG2   . VAL A 78  ? 0.0537 0.0864 0.0896 0.0185  0.0019  -0.0005 78  VAL A CG2   
642  N N     . TYR A 79  ? 0.0576 0.0713 0.0702 0.0180  -0.0060 0.0070  79  TYR A N     
643  C CA    . TYR A 79  ? 0.0591 0.0686 0.0638 0.0167  -0.0061 0.0081  79  TYR A CA    
644  C C     . TYR A 79  ? 0.1087 0.1191 0.1099 0.0141  -0.0057 0.0058  79  TYR A C     
645  O O     . TYR A 79  ? 0.0926 0.1059 0.0952 0.0131  -0.0074 0.0047  79  TYR A O     
646  C CB    . TYR A 79  ? 0.0643 0.0744 0.0654 0.0176  -0.0095 0.0116  79  TYR A CB    
647  C CG    . TYR A 79  ? 0.1060 0.1148 0.1118 0.0208  -0.0111 0.0156  79  TYR A CG    
648  C CD1   . TYR A 79  ? 0.0741 0.0761 0.0793 0.0215  -0.0094 0.0182  79  TYR A CD1   
649  C CD2   . TYR A 79  ? 0.1851 0.1995 0.1975 0.0232  -0.0146 0.0170  79  TYR A CD2   
650  C CE1   . TYR A 79  ? 0.1133 0.1122 0.1243 0.0249  -0.0111 0.0226  79  TYR A CE1   
651  C CE2   . TYR A 79  ? 0.1757 0.1889 0.1946 0.0271  -0.0166 0.0214  79  TYR A CE2   
652  C CZ    . TYR A 79  ? 0.1635 0.1679 0.1815 0.0282  -0.0148 0.0243  79  TYR A CZ    
653  O OH    . TYR A 79  ? 0.1424 0.1436 0.1681 0.0326  -0.0170 0.0292  79  TYR A OH    
654  N N     . LEU A 80  ? 0.0972 0.1048 0.0951 0.0130  -0.0037 0.0054  80  LEU A N     
655  C CA    . LEU A 80  ? 0.1093 0.1171 0.1053 0.0117  -0.0036 0.0038  80  LEU A CA    
656  C C     . LEU A 80  ? 0.0897 0.0971 0.0811 0.0119  -0.0033 0.0039  80  LEU A C     
657  O O     . LEU A 80  ? 0.0637 0.0702 0.0538 0.0115  -0.0013 0.0050  80  LEU A O     
658  C CB    . LEU A 80  ? 0.0513 0.0589 0.0485 0.0104  -0.0019 0.0034  80  LEU A CB    
659  C CG    . LEU A 80  ? 0.1815 0.1892 0.1788 0.0099  -0.0023 0.0030  80  LEU A CG    
660  C CD1   . LEU A 80  ? 0.1507 0.1578 0.1497 0.0095  -0.0040 0.0026  80  LEU A CD1   
661  C CD2   . LEU A 80  ? 0.0833 0.0923 0.0814 0.0084  -0.0017 0.0038  80  LEU A CD2   
662  N N     . GLN A 81  ? 0.0599 0.0684 0.0486 0.0120  -0.0049 0.0023  81  GLN A N     
663  C CA    . GLN A 81  ? 0.1079 0.1172 0.0910 0.0120  -0.0037 0.0012  81  GLN A CA    
664  C C     . GLN A 81  ? 0.0886 0.0976 0.0743 0.0123  -0.0017 -0.0019 81  GLN A C     
665  O O     . GLN A 81  ? 0.1078 0.1150 0.0967 0.0125  -0.0029 -0.0043 81  GLN A O     
666  C CB    . GLN A 81  ? 0.1396 0.1509 0.1178 0.0115  -0.0063 -0.0006 81  GLN A CB    
667  C CG    . GLN A 81  ? 0.0828 0.0965 0.0531 0.0110  -0.0043 -0.0021 81  GLN A CG    
668  C CD    . GLN A 81  ? 0.0980 0.1127 0.0641 0.0105  -0.0033 0.0036  81  GLN A CD    
669  O OE1   . GLN A 81  ? 0.1099 0.1240 0.0761 0.0109  -0.0063 0.0082  81  GLN A OE1   
670  N NE2   . GLN A 81  ? 0.0928 0.1090 0.0563 0.0097  0.0009  0.0039  81  GLN A NE2   
671  N N     . MET A 82  ? 0.0637 0.0744 0.0492 0.0124  0.0013  -0.0014 82  MET A N     
672  C CA    . MET A 82  ? 0.0624 0.0742 0.0530 0.0135  0.0030  -0.0036 82  MET A CA    
673  C C     . MET A 82  ? 0.0681 0.0835 0.0561 0.0143  0.0062  -0.0069 82  MET A C     
674  O O     . MET A 82  ? 0.0998 0.1192 0.0861 0.0132  0.0091  -0.0054 82  MET A O     
675  C CB    . MET A 82  ? 0.0893 0.1028 0.0841 0.0126  0.0037  -0.0007 82  MET A CB    
676  C CG    . MET A 82  ? 0.1133 0.1242 0.1095 0.0116  0.0013  0.0013  82  MET A CG    
677  S SD    . MET A 82  ? 0.1559 0.1683 0.1539 0.0092  0.0020  0.0033  82  MET A SD    
678  C CE    . MET A 82  ? 0.0990 0.1169 0.1030 0.0097  0.0022  0.0030  82  MET A CE    
679  N N     . ASN A 83  ? 0.0727 0.0867 0.0607 0.0158  0.0061  -0.0121 83  ASN A N     
680  C CA    . ASN A 83  ? 0.1243 0.1421 0.1092 0.0167  0.0099  -0.0173 83  ASN A CA    
681  C C     . ASN A 83  ? 0.1200 0.1391 0.1147 0.0200  0.0125  -0.0207 83  ASN A C     
682  O O     . ASN A 83  ? 0.0958 0.1116 0.0992 0.0216  0.0101  -0.0189 83  ASN A O     
683  C CB    . ASN A 83  ? 0.1420 0.1575 0.1204 0.0161  0.0085  -0.0227 83  ASN A CB    
684  C CG    . ASN A 83  ? 0.2492 0.2657 0.2181 0.0132  0.0054  -0.0192 83  ASN A CG    
685  O OD1   . ASN A 83  ? 0.1734 0.1925 0.1389 0.0120  0.0059  -0.0134 83  ASN A OD1   
686  N ND2   . ASN A 83  ? 0.3054 0.3197 0.2711 0.0120  0.0018  -0.0225 83  ASN A ND2   
687  N N     . SER A 84  ? 0.0869 0.1119 0.0806 0.0211  0.0176  -0.0254 84  SER A N     
688  C CA    . SER A 84  ? 0.1451 0.1728 0.1499 0.0253  0.0208  -0.0300 84  SER A CA    
689  C C     . SER A 84  ? 0.0883 0.1182 0.1045 0.0266  0.0190  -0.0243 84  SER A C     
690  O O     . SER A 84  ? 0.0799 0.1065 0.1064 0.0301  0.0167  -0.0246 84  SER A O     
691  C CB    . SER A 84  ? 0.2274 0.2473 0.2362 0.0283  0.0194  -0.0367 84  SER A CB    
692  O OG    . SER A 84  ? 0.3123 0.3310 0.3101 0.0265  0.0207  -0.0432 84  SER A OG    
693  N N     . LEU A 85  ? 0.0908 0.1260 0.1049 0.0233  0.0195  -0.0189 85  LEU A N     
694  C CA    . LEU A 85  ? 0.1063 0.1438 0.1291 0.0232  0.0167  -0.0138 85  LEU A CA    
695  C C     . LEU A 85  ? 0.1118 0.1571 0.1484 0.0271  0.0188  -0.0157 85  LEU A C     
696  O O     . LEU A 85  ? 0.0931 0.1450 0.1323 0.0289  0.0243  -0.0205 85  LEU A O     
697  C CB    . LEU A 85  ? 0.0648 0.1053 0.0827 0.0182  0.0171  -0.0089 85  LEU A CB    
698  C CG    . LEU A 85  ? 0.0821 0.1145 0.0906 0.0156  0.0138  -0.0060 85  LEU A CG    
699  C CD1   . LEU A 85  ? 0.1395 0.1729 0.1432 0.0113  0.0151  -0.0022 85  LEU A CD1   
700  C CD2   . LEU A 85  ? 0.1350 0.1629 0.1471 0.0160  0.0089  -0.0036 85  LEU A CD2   
701  N N     . LYS A 86  ? 0.0648 0.1102 0.1105 0.0285  0.0142  -0.0117 86  LYS A N     
702  C CA    . LYS A 86  ? 0.0652 0.1185 0.1265 0.0328  0.0139  -0.0115 86  LYS A CA    
703  C C     . LYS A 86  ? 0.0596 0.1206 0.1249 0.0294  0.0107  -0.0057 86  LYS A C     
704  O O     . LYS A 86  ? 0.0562 0.1126 0.1133 0.0250  0.0071  -0.0019 86  LYS A O     
705  C CB    . LYS A 86  ? 0.1215 0.1672 0.1906 0.0379  0.0095  -0.0108 86  LYS A CB    
706  C CG    . LYS A 86  ? 0.2654 0.3003 0.3307 0.0403  0.0109  -0.0165 86  LYS A CG    
707  C CD    . LYS A 86  ? 0.2906 0.3163 0.3636 0.0437  0.0055  -0.0133 86  LYS A CD    
708  C CE    . LYS A 86  ? 0.3413 0.3538 0.4070 0.0428  0.0050  -0.0170 86  LYS A CE    
709  N NZ    . LYS A 86  ? 0.2635 0.2713 0.3361 0.0479  0.0086  -0.0258 86  LYS A NZ    
710  N N     . PRO A 87  ? 0.0593 0.1326 0.1383 0.0312  0.0115  -0.0054 87  PRO A N     
711  C CA    . PRO A 87  ? 0.0695 0.1508 0.1528 0.0273  0.0071  -0.0002 87  PRO A CA    
712  C C     . PRO A 87  ? 0.0544 0.1296 0.1353 0.0269  -0.0006 0.0050  87  PRO A C     
713  O O     . PRO A 87  ? 0.0642 0.1416 0.1406 0.0216  -0.0042 0.0082  87  PRO A O     
714  C CB    . PRO A 87  ? 0.1050 0.2012 0.2067 0.0311  0.0086  -0.0011 87  PRO A CB    
715  C CG    . PRO A 87  ? 0.1672 0.2648 0.2699 0.0345  0.0170  -0.0079 87  PRO A CG    
716  C CD    . PRO A 87  ? 0.0635 0.1456 0.1549 0.0366  0.0169  -0.0105 87  PRO A CD    
717  N N     . GLU A 88  ? 0.0652 0.1324 0.1484 0.0320  -0.0031 0.0057  88  GLU A N     
718  C CA    . GLU A 88  ? 0.1503 0.2111 0.2293 0.0309  -0.0098 0.0114  88  GLU A CA    
719  C C     . GLU A 88  ? 0.1508 0.2032 0.2134 0.0252  -0.0096 0.0115  88  GLU A C     
720  O O     . GLU A 88  ? 0.0820 0.1317 0.1393 0.0226  -0.0142 0.0160  88  GLU A O     
721  C CB    . GLU A 88  ? 0.0947 0.1474 0.1810 0.0372  -0.0117 0.0124  88  GLU A CB    
722  C CG    . GLU A 88  ? 0.1855 0.2459 0.2895 0.0437  -0.0134 0.0135  88  GLU A CG    
723  C CD    . GLU A 88  ? 0.3019 0.3686 0.4140 0.0477  -0.0060 0.0057  88  GLU A CD    
724  O OE1   . GLU A 88  ? 0.1486 0.2126 0.2556 0.0471  0.0003  -0.0008 88  GLU A OE1   
725  O OE2   . GLU A 88  ? 0.3269 0.4019 0.4495 0.0513  -0.0066 0.0059  88  GLU A OE2   
726  N N     . ASP A 89  ? 0.0545 0.1037 0.1090 0.0231  -0.0044 0.0070  89  ASP A N     
727  C CA    . ASP A 89  ? 0.0851 0.1275 0.1266 0.0185  -0.0043 0.0071  89  ASP A CA    
728  C C     . ASP A 89  ? 0.0865 0.1336 0.1243 0.0130  -0.0045 0.0079  89  ASP A C     
729  O O     . ASP A 89  ? 0.1076 0.1491 0.1362 0.0097  -0.0044 0.0077  89  ASP A O     
730  C CB    . ASP A 89  ? 0.0532 0.0896 0.0881 0.0190  0.0002  0.0029  89  ASP A CB    
731  C CG    . ASP A 89  ? 0.0986 0.1280 0.1351 0.0231  0.0000  0.0009  89  ASP A CG    
732  O OD1   . ASP A 89  ? 0.0889 0.1134 0.1265 0.0236  -0.0039 0.0040  89  ASP A OD1   
733  O OD2   . ASP A 89  ? 0.0938 0.1226 0.1302 0.0252  0.0038  -0.0040 89  ASP A OD2   
734  N N     . THR A 90  ? 0.0501 0.1073 0.0958 0.0119  -0.0049 0.0084  90  THR A N     
735  C CA    . THR A 90  ? 0.0499 0.1108 0.0929 0.0058  -0.0055 0.0084  90  THR A CA    
736  C C     . THR A 90  ? 0.0516 0.1105 0.0883 0.0028  -0.0104 0.0104  90  THR A C     
737  O O     . THR A 90  ? 0.0534 0.1164 0.0935 0.0042  -0.0152 0.0138  90  THR A O     
738  C CB    . THR A 90  ? 0.0499 0.1239 0.1047 0.0047  -0.0056 0.0087  90  THR A CB    
739  O OG1   . THR A 90  ? 0.0497 0.1262 0.1085 0.0065  0.0005  0.0064  90  THR A OG1   
740  C CG2   . THR A 90  ? 0.0515 0.1290 0.1042 -0.0028 -0.0070 0.0082  90  THR A CG2   
741  N N     . ALA A 91  ? 0.0591 0.1117 0.0864 -0.0013 -0.0091 0.0083  91  ALA A N     
742  C CA    . ALA A 91  ? 0.0629 0.1142 0.0830 -0.0043 -0.0123 0.0087  91  ALA A CA    
743  C C     . ALA A 91  ? 0.0853 0.1295 0.0978 -0.0080 -0.0093 0.0047  91  ALA A C     
744  O O     . ALA A 91  ? 0.0563 0.0952 0.0688 -0.0074 -0.0054 0.0032  91  ALA A O     
745  C CB    . ALA A 91  ? 0.0618 0.1089 0.0788 -0.0010 -0.0140 0.0117  91  ALA A CB    
746  N N     . VAL A 92  ? 0.0961 0.1404 0.1021 -0.0115 -0.0111 0.0031  92  VAL A N     
747  C CA    . VAL A 92  ? 0.0867 0.1231 0.0860 -0.0133 -0.0079 -0.0012 92  VAL A CA    
748  C C     . VAL A 92  ? 0.0934 0.1251 0.0887 -0.0098 -0.0066 0.0001  92  VAL A C     
749  O O     . VAL A 92  ? 0.0851 0.1201 0.0778 -0.0095 -0.0091 0.0029  92  VAL A O     
750  C CB    . VAL A 92  ? 0.1146 0.1537 0.1085 -0.0191 -0.0095 -0.0055 92  VAL A CB    
751  C CG1   . VAL A 92  ? 0.1121 0.1424 0.1011 -0.0197 -0.0053 -0.0110 92  VAL A CG1   
752  C CG2   . VAL A 92  ? 0.1359 0.1803 0.1349 -0.0236 -0.0114 -0.0070 92  VAL A CG2   
753  N N     . TYR A 93  ? 0.0610 0.0853 0.0562 -0.0075 -0.0032 -0.0013 93  TYR A N     
754  C CA    . TYR A 93  ? 0.0769 0.0978 0.0701 -0.0045 -0.0020 -0.0004 93  TYR A CA    
755  C C     . TYR A 93  ? 0.0711 0.0892 0.0604 -0.0059 0.0005  -0.0046 93  TYR A C     
756  O O     . TYR A 93  ? 0.0819 0.0956 0.0721 -0.0068 0.0024  -0.0082 93  TYR A O     
757  C CB    . TYR A 93  ? 0.0708 0.0873 0.0669 -0.0008 -0.0006 0.0009  93  TYR A CB    
758  C CG    . TYR A 93  ? 0.1074 0.1270 0.1072 0.0013  -0.0021 0.0037  93  TYR A CG    
759  C CD1   . TYR A 93  ? 0.0760 0.0999 0.0799 0.0007  -0.0024 0.0042  93  TYR A CD1   
760  C CD2   . TYR A 93  ? 0.0999 0.1182 0.1002 0.0039  -0.0030 0.0054  93  TYR A CD2   
761  C CE1   . TYR A 93  ? 0.0505 0.0777 0.0595 0.0035  -0.0032 0.0058  93  TYR A CE1   
762  C CE2   . TYR A 93  ? 0.0801 0.0998 0.0849 0.0064  -0.0041 0.0068  93  TYR A CE2   
763  C CZ    . TYR A 93  ? 0.0500 0.0743 0.0593 0.0067  -0.0040 0.0068  93  TYR A CZ    
764  O OH    . TYR A 93  ? 0.0502 0.0766 0.0657 0.0100  -0.0045 0.0073  93  TYR A OH    
765  N N     . TYR A 94  ? 0.0645 0.0852 0.0504 -0.0062 0.0007  -0.0042 94  TYR A N     
766  C CA    . TYR A 94  ? 0.0909 0.1112 0.0739 -0.0071 0.0040  -0.0088 94  TYR A CA    
767  C C     . TYR A 94  ? 0.0951 0.1146 0.0808 -0.0040 0.0057  -0.0073 94  TYR A C     
768  O O     . TYR A 94  ? 0.0967 0.1175 0.0835 -0.0031 0.0038  -0.0027 94  TYR A O     
769  C CB    . TYR A 94  ? 0.0758 0.1030 0.0515 -0.0115 0.0036  -0.0101 94  TYR A CB    
770  C CG    . TYR A 94  ? 0.0960 0.1262 0.0682 -0.0157 0.0011  -0.0123 94  TYR A CG    
771  C CD1   . TYR A 94  ? 0.0979 0.1258 0.0682 -0.0184 0.0035  -0.0200 94  TYR A CD1   
772  C CD2   . TYR A 94  ? 0.1294 0.1650 0.1014 -0.0170 -0.0038 -0.0069 94  TYR A CD2   
773  C CE1   . TYR A 94  ? 0.1271 0.1583 0.0945 -0.0232 0.0007  -0.0227 94  TYR A CE1   
774  C CE2   . TYR A 94  ? 0.1178 0.1583 0.0878 -0.0213 -0.0069 -0.0088 94  TYR A CE2   
775  C CZ    . TYR A 94  ? 0.1365 0.1749 0.1036 -0.0249 -0.0047 -0.0169 94  TYR A CZ    
776  O OH    . TYR A 94  ? 0.1198 0.1634 0.0851 -0.0301 -0.0081 -0.0196 94  TYR A OH    
777  N N     . CYS A 95  ? 0.0953 0.1129 0.0834 -0.0024 0.0092  -0.0115 95  CYS A N     
778  C CA    . CYS A 95  ? 0.1086 0.1287 0.1000 -0.0004 0.0110  -0.0108 95  CYS A CA    
779  C C     . CYS A 95  ? 0.1201 0.1450 0.1092 -0.0021 0.0154  -0.0161 95  CYS A C     
780  O O     . CYS A 95  ? 0.1289 0.1524 0.1153 -0.0036 0.0174  -0.0219 95  CYS A O     
781  C CB    . CYS A 95  ? 0.1778 0.1934 0.1764 0.0042  0.0110  -0.0105 95  CYS A CB    
782  S SG    . CYS A 95  ? 0.1938 0.2027 0.1963 0.0064  0.0137  -0.0158 95  CYS A SG    
783  N N     . ASN A 96  ? 0.0809 0.1120 0.0711 -0.0026 0.0172  -0.0146 96  ASN A N     
784  C CA    . ASN A 96  ? 0.0795 0.1171 0.0686 -0.0040 0.0227  -0.0201 96  ASN A CA    
785  C C     . ASN A 96  ? 0.0844 0.1271 0.0821 -0.0017 0.0250  -0.0189 96  ASN A C     
786  O O     . ASN A 96  ? 0.1029 0.1444 0.1054 -0.0003 0.0216  -0.0136 96  ASN A O     
787  C CB    . ASN A 96  ? 0.0864 0.1308 0.0642 -0.0101 0.0233  -0.0194 96  ASN A CB    
788  C CG    . ASN A 96  ? 0.1665 0.2162 0.1424 -0.0130 0.0218  -0.0115 96  ASN A CG    
789  O OD1   . ASN A 96  ? 0.1668 0.2170 0.1504 -0.0111 0.0219  -0.0086 96  ASN A OD1   
790  N ND2   . ASN A 96  ? 0.1627 0.2166 0.1286 -0.0181 0.0201  -0.0078 96  ASN A ND2   
791  N N     . LEU A 97  ? 0.0871 0.1362 0.0875 -0.0013 0.0310  -0.0250 97  LEU A N     
792  C CA    . LEU A 97  ? 0.1249 0.1815 0.1357 0.0009  0.0341  -0.0251 97  LEU A CA    
793  C C     . LEU A 97  ? 0.1612 0.2294 0.1682 -0.0030 0.0411  -0.0293 97  LEU A C     
794  O O     . LEU A 97  ? 0.1585 0.2272 0.1597 -0.0039 0.0454  -0.0368 97  LEU A O     
795  C CB    . LEU A 97  ? 0.1480 0.2010 0.1716 0.0081  0.0348  -0.0290 97  LEU A CB    
796  C CG    . LEU A 97  ? 0.1439 0.2070 0.1811 0.0112  0.0381  -0.0300 97  LEU A CG    
797  C CD1   . LEU A 97  ? 0.1085 0.1760 0.1484 0.0089  0.0337  -0.0222 97  LEU A CD1   
798  C CD2   . LEU A 97  ? 0.1592 0.2172 0.2092 0.0190  0.0374  -0.0325 97  LEU A CD2   
799  N N     . ARG A 98  ? 0.1352 0.2126 0.1448 -0.0061 0.0425  -0.0248 98  ARG A N     
800  C CA    . ARG A 98  ? 0.2100 0.2984 0.2169 -0.0098 0.0492  -0.0275 98  ARG A CA    
801  C C     . ARG A 98  ? 0.2764 0.3688 0.2969 -0.0042 0.0537  -0.0334 98  ARG A C     
802  O O     . ARG A 98  ? 0.3122 0.4056 0.3469 0.0007  0.0521  -0.0325 98  ARG A O     
803  C CB    . ARG A 98  ? 0.2371 0.3324 0.2421 -0.0160 0.0485  -0.0189 98  ARG A CB    
804  C CG    . ARG A 98  ? 0.2914 0.3831 0.2821 -0.0220 0.0443  -0.0116 98  ARG A CG    
805  C CD    . ARG A 98  ? 0.4438 0.5413 0.4333 -0.0281 0.0448  -0.0038 98  ARG A CD    
806  N NE    . ARG A 98  ? 0.5613 0.6546 0.5383 -0.0333 0.0402  0.0042  98  ARG A NE    
807  C CZ    . ARG A 98  ? 0.6229 0.7179 0.5877 -0.0367 0.0407  0.0042  98  ARG A CZ    
808  N NH1   . ARG A 98  ? 0.7398 0.8311 0.6955 -0.0406 0.0353  0.0126  98  ARG A NH1   
809  N NH2   . ARG A 98  ? 0.5589 0.6594 0.5214 -0.0360 0.0463  -0.0041 98  ARG A NH2   
810  N N     . ARG A 99  ? 0.2729 0.3678 0.2896 -0.0046 0.0588  -0.0395 99  ARG A N     
811  C CA    . ARG A 99  ? 0.2550 0.3551 0.2846 0.0006  0.0638  -0.0448 99  ARG A CA    
812  C C     . ARG A 99  ? 0.2614 0.3699 0.2833 -0.0039 0.0699  -0.0477 99  ARG A C     
813  O O     . ARG A 99  ? 0.2161 0.3214 0.2260 -0.0063 0.0713  -0.0527 99  ARG A O     
814  C CB    . ARG A 99  ? 0.2883 0.3788 0.3244 0.0079  0.0637  -0.0518 99  ARG A CB    
815  C CG    . ARG A 99  ? 0.3437 0.4394 0.3944 0.0140  0.0682  -0.0563 99  ARG A CG    
816  C CD    . ARG A 99  ? 0.4185 0.5032 0.4756 0.0211  0.0680  -0.0626 99  ARG A CD    
817  N NE    . ARG A 99  ? 0.5529 0.6436 0.6223 0.0265  0.0732  -0.0677 99  ARG A NE    
818  C CZ    . ARG A 99  ? 0.5380 0.6348 0.6241 0.0323  0.0725  -0.0645 99  ARG A CZ    
819  N NH1   . ARG A 99  ? 0.4515 0.5491 0.5437 0.0331  0.0663  -0.0564 99  ARG A NH1   
820  N NH2   . ARG A 99  ? 0.5478 0.6507 0.6449 0.0373  0.0776  -0.0695 99  ARG A NH2   
821  N N     . GLY A 100 ? 0.3293 0.4491 0.3583 -0.0055 0.0733  -0.0446 100 GLY A N     
822  C CA    . GLY A 100 ? 0.3260 0.4550 0.3473 -0.0105 0.0794  -0.0464 100 GLY A CA    
823  C C     . GLY A 100 ? 0.3239 0.4504 0.3258 -0.0183 0.0767  -0.0422 100 GLY A C     
824  O O     . GLY A 100 ? 0.4040 0.5268 0.4015 -0.0217 0.0710  -0.0339 100 GLY A O     
825  N N     . GLY A 101 ? 0.2500 0.3787 0.2404 -0.0209 0.0804  -0.0479 101 GLY A N     
826  C CA    . GLY A 101 ? 0.3219 0.4494 0.2940 -0.0281 0.0772  -0.0441 101 GLY A CA    
827  C C     . GLY A 101 ? 0.3336 0.4502 0.2977 -0.0275 0.0715  -0.0464 101 GLY A C     
828  O O     . GLY A 101 ? 0.3929 0.5092 0.3425 -0.0330 0.0684  -0.0441 101 GLY A O     
829  N N     . GLY A 102 ? 0.2389 0.3468 0.2128 -0.0210 0.0695  -0.0502 102 GLY A N     
830  C CA    . GLY A 102 ? 0.2417 0.3393 0.2094 -0.0206 0.0644  -0.0523 102 GLY A CA    
831  C C     . GLY A 102 ? 0.2115 0.3021 0.1833 -0.0188 0.0581  -0.0454 102 GLY A C     
832  O O     . GLY A 102 ? 0.1998 0.2924 0.1821 -0.0165 0.0579  -0.0407 102 GLY A O     
833  N N     . ILE A 103 ? 0.1413 0.2245 0.1056 -0.0202 0.0531  -0.0452 103 ILE A N     
834  C CA    . ILE A 103 ? 0.1272 0.2035 0.0947 -0.0182 0.0476  -0.0401 103 ILE A CA    
835  C C     . ILE A 103 ? 0.1380 0.2044 0.1073 -0.0150 0.0464  -0.0472 103 ILE A C     
836  O O     . ILE A 103 ? 0.1658 0.2305 0.1268 -0.0179 0.0461  -0.0523 103 ILE A O     
837  C CB    . ILE A 103 ? 0.2550 0.3322 0.2119 -0.0237 0.0417  -0.0304 103 ILE A CB    
838  C CG1   . ILE A 103 ? 0.2717 0.3564 0.2279 -0.0273 0.0424  -0.0222 103 ILE A CG1   
839  C CG2   . ILE A 103 ? 0.2327 0.3029 0.1929 -0.0213 0.0365  -0.0263 103 ILE A CG2   
840  C CD1   . ILE A 103 ? 0.3240 0.4073 0.2731 -0.0314 0.0358  -0.0112 103 ILE A CD1   
841  N N     . TYR A 104 ? 0.1327 0.1928 0.1132 -0.0092 0.0456  -0.0476 104 TYR A N     
842  C CA    . TYR A 104 ? 0.1630 0.2121 0.1472 -0.0059 0.0446  -0.0535 104 TYR A CA    
843  C C     . TYR A 104 ? 0.1638 0.2059 0.1476 -0.0057 0.0383  -0.0473 104 TYR A C     
844  O O     . TYR A 104 ? 0.1623 0.2044 0.1510 -0.0038 0.0347  -0.0389 104 TYR A O     
845  C CB    . TYR A 104 ? 0.1480 0.1930 0.1470 0.0014  0.0480  -0.0581 104 TYR A CB    
846  C CG    . TYR A 104 ? 0.2513 0.3031 0.2512 0.0014  0.0536  -0.0634 104 TYR A CG    
847  C CD1   . TYR A 104 ? 0.2352 0.2833 0.2308 0.0002  0.0561  -0.0720 104 TYR A CD1   
848  C CD2   . TYR A 104 ? 0.2364 0.2991 0.2409 0.0017  0.0565  -0.0601 104 TYR A CD2   
849  C CE1   . TYR A 104 ? 0.2548 0.3099 0.2506 0.0001  0.0619  -0.0778 104 TYR A CE1   
850  C CE2   . TYR A 104 ? 0.3108 0.3808 0.3159 0.0015  0.0624  -0.0653 104 TYR A CE2   
851  C CZ    . TYR A 104 ? 0.2983 0.3645 0.2987 0.0009  0.0652  -0.0744 104 TYR A CZ    
852  O OH    . TYR A 104 ? 0.3693 0.4432 0.3699 0.0008  0.0716  -0.0804 104 TYR A OH    
853  N N     . TRP A 105 ? 0.1387 0.1737 0.1175 -0.0077 0.0358  -0.0504 105 TRP A N     
854  C CA    . TRP A 105 ? 0.1055 0.1350 0.0823 -0.0090 0.0289  -0.0433 105 TRP A CA    
855  C C     . TRP A 105 ? 0.1053 0.1228 0.0898 -0.0056 0.0276  -0.0454 105 TRP A C     
856  O O     . TRP A 105 ? 0.1150 0.1270 0.1016 -0.0053 0.0310  -0.0541 105 TRP A O     
857  C CB    . TRP A 105 ? 0.1118 0.1460 0.0759 -0.0159 0.0262  -0.0439 105 TRP A CB    
858  C CG    . TRP A 105 ? 0.1125 0.1574 0.0682 -0.0196 0.0255  -0.0381 105 TRP A CG    
859  C CD1   . TRP A 105 ? 0.1541 0.2073 0.1048 -0.0219 0.0301  -0.0407 105 TRP A CD1   
860  C CD2   . TRP A 105 ? 0.1065 0.1537 0.0595 -0.0212 0.0195  -0.0277 105 TRP A CD2   
861  N NE1   . TRP A 105 ? 0.1291 0.1891 0.0735 -0.0255 0.0271  -0.0316 105 TRP A NE1   
862  C CE2   . TRP A 105 ? 0.1281 0.1847 0.0734 -0.0251 0.0208  -0.0240 105 TRP A CE2   
863  C CE3   . TRP A 105 ? 0.1236 0.1659 0.0807 -0.0196 0.0135  -0.0213 105 TRP A CE3   
864  C CZ2   . TRP A 105 ? 0.1372 0.1967 0.0793 -0.0271 0.0156  -0.0133 105 TRP A CZ2   
865  C CZ3   . TRP A 105 ? 0.1661 0.2121 0.1209 -0.0210 0.0089  -0.0120 105 TRP A CZ3   
866  C CH2   . TRP A 105 ? 0.1521 0.2056 0.0997 -0.0245 0.0096  -0.0078 105 TRP A CH2   
867  N N     . GLY A 106 ? 0.0960 0.1091 0.0844 -0.0036 0.0230  -0.0375 106 GLY A N     
868  C CA    . GLY A 106 ? 0.0969 0.0997 0.0899 -0.0025 0.0212  -0.0374 106 GLY A CA    
869  C C     . GLY A 106 ? 0.1057 0.1082 0.0921 -0.0084 0.0190  -0.0397 106 GLY A C     
870  O O     . GLY A 106 ? 0.1268 0.1374 0.1048 -0.0129 0.0178  -0.0404 106 GLY A O     
871  N N     . GLN A 107 ? 0.1167 0.1099 0.1073 -0.0089 0.0181  -0.0406 107 GLN A N     
872  C CA    . GLN A 107 ? 0.1372 0.1301 0.1239 -0.0151 0.0161  -0.0440 107 GLN A CA    
873  C C     . GLN A 107 ? 0.1679 0.1673 0.1525 -0.0176 0.0112  -0.0365 107 GLN A C     
874  O O     . GLN A 107 ? 0.1683 0.1713 0.1498 -0.0231 0.0087  -0.0385 107 GLN A O     
875  C CB    . GLN A 107 ? 0.1194 0.0994 0.1128 -0.0155 0.0173  -0.0475 107 GLN A CB    
876  C CG    . GLN A 107 ? 0.1497 0.1249 0.1486 -0.0142 0.0148  -0.0387 107 GLN A CG    
877  C CD    . GLN A 107 ? 0.2112 0.1822 0.2159 -0.0072 0.0156  -0.0326 107 GLN A CD    
878  O OE1   . GLN A 107 ? 0.1590 0.1322 0.1650 -0.0027 0.0175  -0.0340 107 GLN A OE1   
879  N NE2   . GLN A 107 ? 0.2639 0.2303 0.2718 -0.0067 0.0139  -0.0255 107 GLN A NE2   
880  N N     . GLY A 108 ? 0.0922 0.0940 0.0791 -0.0136 0.0097  -0.0286 108 GLY A N     
881  C CA    . GLY A 108 ? 0.0918 0.0990 0.0788 -0.0147 0.0059  -0.0223 108 GLY A CA    
882  C C     . GLY A 108 ? 0.1155 0.1174 0.1084 -0.0145 0.0056  -0.0193 108 GLY A C     
883  O O     . GLY A 108 ? 0.1442 0.1384 0.1398 -0.0163 0.0072  -0.0226 108 GLY A O     
884  N N     . THR A 109 ? 0.0762 0.0815 0.0712 -0.0124 0.0040  -0.0131 109 THR A N     
885  C CA    . THR A 109 ? 0.1152 0.1175 0.1146 -0.0127 0.0046  -0.0099 109 THR A CA    
886  C C     . THR A 109 ? 0.1198 0.1311 0.1211 -0.0130 0.0025  -0.0062 109 THR A C     
887  O O     . THR A 109 ? 0.0825 0.0985 0.0828 -0.0100 0.0011  -0.0040 109 THR A O     
888  C CB    . THR A 109 ? 0.1599 0.1550 0.1604 -0.0083 0.0064  -0.0067 109 THR A CB    
889  O OG1   . THR A 109 ? 0.2118 0.2036 0.2150 -0.0099 0.0073  -0.0033 109 THR A OG1   
890  C CG2   . THR A 109 ? 0.1287 0.1282 0.1278 -0.0040 0.0054  -0.0034 109 THR A CG2   
891  N N     . GLN A 110 ? 0.0783 0.0922 0.0838 -0.0167 0.0025  -0.0056 110 GLN A N     
892  C CA    . GLN A 110 ? 0.1146 0.1390 0.1247 -0.0168 0.0009  -0.0029 110 GLN A CA    
893  C C     . GLN A 110 ? 0.0688 0.0933 0.0807 -0.0131 0.0034  0.0009  110 GLN A C     
894  O O     . GLN A 110 ? 0.0714 0.0906 0.0831 -0.0140 0.0062  0.0023  110 GLN A O     
895  C CB    . GLN A 110 ? 0.1197 0.1494 0.1350 -0.0230 0.0000  -0.0043 110 GLN A CB    
896  C CG    . GLN A 110 ? 0.0816 0.1236 0.1048 -0.0227 -0.0009 -0.0012 110 GLN A CG    
897  C CD    . GLN A 110 ? 0.1296 0.1809 0.1541 -0.0209 -0.0056 -0.0005 110 GLN A CD    
898  O OE1   . GLN A 110 ? 0.1652 0.2172 0.1851 -0.0236 -0.0089 -0.0027 110 GLN A OE1   
899  N NE2   . GLN A 110 ? 0.1145 0.1727 0.1451 -0.0162 -0.0058 0.0026  110 GLN A NE2   
900  N N     . VAL A 111 ? 0.0586 0.0889 0.0722 -0.0091 0.0023  0.0024  111 VAL A N     
901  C CA    . VAL A 111 ? 0.0565 0.0894 0.0723 -0.0059 0.0048  0.0042  111 VAL A CA    
902  C C     . VAL A 111 ? 0.0547 0.0990 0.0792 -0.0058 0.0042  0.0046  111 VAL A C     
903  O O     . VAL A 111 ? 0.0848 0.1337 0.1124 -0.0043 0.0005  0.0049  111 VAL A O     
904  C CB    . VAL A 111 ? 0.0714 0.1004 0.0832 -0.0008 0.0045  0.0044  111 VAL A CB    
905  C CG1   . VAL A 111 ? 0.0537 0.0865 0.0677 0.0021  0.0069  0.0045  111 VAL A CG1   
906  C CG2   . VAL A 111 ? 0.0559 0.0758 0.0612 -0.0005 0.0052  0.0045  111 VAL A CG2   
907  N N     . THR A 112 ? 0.0564 0.1059 0.0852 -0.0075 0.0077  0.0052  112 THR A N     
908  C CA    . THR A 112 ? 0.0550 0.1174 0.0946 -0.0070 0.0081  0.0053  112 THR A CA    
909  C C     . THR A 112 ? 0.0761 0.1416 0.1169 -0.0032 0.0131  0.0047  112 THR A C     
910  O O     . THR A 112 ? 0.0965 0.1594 0.1321 -0.0054 0.0174  0.0055  112 THR A O     
911  C CB    . THR A 112 ? 0.0580 0.1267 0.1035 -0.0139 0.0086  0.0056  112 THR A CB    
912  O OG1   . THR A 112 ? 0.0858 0.1516 0.1290 -0.0176 0.0038  0.0045  112 THR A OG1   
913  C CG2   . THR A 112 ? 0.0735 0.1584 0.1328 -0.0133 0.0091  0.0058  112 THR A CG2   
914  N N     . VAL A 113 ? 0.0595 0.1304 0.1071 0.0024  0.0125  0.0034  113 VAL A N     
915  C CA    . VAL A 113 ? 0.0625 0.1368 0.1119 0.0067  0.0174  0.0008  113 VAL A CA    
916  C C     . VAL A 113 ? 0.0882 0.1776 0.1523 0.0078  0.0199  -0.0001 113 VAL A C     
917  O O     . VAL A 113 ? 0.0534 0.1488 0.1285 0.0110  0.0159  0.0004  113 VAL A O     
918  C CB    . VAL A 113 ? 0.0551 0.1221 0.1023 0.0128  0.0153  -0.0011 113 VAL A CB    
919  C CG1   . VAL A 113 ? 0.0596 0.1286 0.1070 0.0168  0.0207  -0.0056 113 VAL A CG1   
920  C CG2   . VAL A 113 ? 0.0543 0.1086 0.0893 0.0113  0.0123  0.0002  113 VAL A CG2   
921  N N     . SER A 114 ? 0.0594 0.1561 0.1243 0.0052  0.0265  -0.0010 114 SER A N     
922  C CA    . SER A 114 ? 0.0600 0.1734 0.1403 0.0058  0.0301  -0.0023 114 SER A CA    
923  C C     . SER A 114 ? 0.1129 0.2306 0.2008 0.0142  0.0330  -0.0072 114 SER A C     
924  O O     . SER A 114 ? 0.1121 0.2212 0.1904 0.0174  0.0353  -0.0105 114 SER A O     
925  C CB    . SER A 114 ? 0.2187 0.3392 0.2969 -0.0006 0.0374  -0.0013 114 SER A CB    
926  O OG    . SER A 114 ? 0.2051 0.3229 0.2807 -0.0087 0.0352  0.0029  114 SER A OG    
927  N N     . SER A 115 ? 0.0604 0.1915 0.1665 0.0178  0.0325  -0.0080 115 SER A N     
928  C CA    . SER A 115 ? 0.1694 0.3002 0.2837 0.0258  0.0351  -0.0121 115 SER A CA    
929  C C     . SER A 115 ? 0.2520 0.3850 0.3607 0.0251  0.0446  -0.0162 115 SER A C     
930  O O     . SER A 115 ? 0.1817 0.3209 0.2871 0.0186  0.0491  -0.0145 115 SER A O     
931  C CB    . SER A 115 ? 0.1939 0.3348 0.3278 0.0291  0.0317  -0.0095 115 SER A CB    
932  O OG    . SER A 115 ? 0.2496 0.3879 0.3868 0.0295  0.0221  -0.0055 115 SER A OG    
938  N N     . GLN B 3   ? 0.6050 0.5355 0.5354 -0.1051 -0.0295 -0.0812 3   GLN B N     
939  C CA    . GLN B 3   ? 0.5460 0.5049 0.4996 -0.1121 -0.0323 -0.0823 3   GLN B CA    
940  C C     . GLN B 3   ? 0.4341 0.4049 0.3952 -0.1096 -0.0270 -0.0724 3   GLN B C     
941  O O     . GLN B 3   ? 0.3946 0.3835 0.3739 -0.1160 -0.0247 -0.0713 3   GLN B O     
942  C CB    . GLN B 3   ? 0.5548 0.5380 0.5143 -0.1076 -0.0449 -0.0896 3   GLN B CB    
943  C CG    . GLN B 3   ? 0.5974 0.6106 0.5816 -0.1139 -0.0486 -0.0914 3   GLN B CG    
944  C CD    . GLN B 3   ? 0.6526 0.6873 0.6398 -0.1085 -0.0621 -0.0978 3   GLN B CD    
945  O OE1   . GLN B 3   ? 0.6952 0.7233 0.6760 -0.1116 -0.0691 -0.1066 3   GLN B OE1   
946  N NE2   . GLN B 3   ? 0.6035 0.6627 0.5990 -0.1000 -0.0658 -0.0931 3   GLN B NE2   
947  N N     . LEU B 4   ? 0.4753 0.4365 0.4222 -0.1002 -0.0250 -0.0658 4   LEU B N     
948  C CA    . LEU B 4   ? 0.4401 0.4058 0.3899 -0.0984 -0.0195 -0.0565 4   LEU B CA    
949  C C     . LEU B 4   ? 0.4360 0.3712 0.3692 -0.0982 -0.0117 -0.0498 4   LEU B C     
950  O O     . LEU B 4   ? 0.4357 0.3519 0.3531 -0.0903 -0.0122 -0.0493 4   LEU B O     
951  C CB    . LEU B 4   ? 0.3974 0.3792 0.3461 -0.0858 -0.0243 -0.0525 4   LEU B CB    
952  C CG    . LEU B 4   ? 0.4016 0.4146 0.3653 -0.0832 -0.0311 -0.0555 4   LEU B CG    
953  C CD1   . LEU B 4   ? 0.2978 0.3169 0.2586 -0.0687 -0.0308 -0.0467 4   LEU B CD1   
954  C CD2   . LEU B 4   ? 0.3405 0.3698 0.3250 -0.0923 -0.0271 -0.0558 4   LEU B CD2   
955  N N     . GLN B 5   ? 0.4060 0.3386 0.3436 -0.1031 -0.0041 -0.0430 5   GLN B N     
956  C CA    . GLN B 5   ? 0.4251 0.3317 0.3479 -0.0993 0.0029  -0.0340 5   GLN B CA    
957  C C     . GLN B 5   ? 0.3512 0.2699 0.2770 -0.0918 0.0051  -0.0246 5   GLN B C     
958  O O     . GLN B 5   ? 0.3501 0.2826 0.2867 -0.0984 0.0086  -0.0236 5   GLN B O     
959  C CB    . GLN B 5   ? 0.4922 0.3807 0.4134 -0.1104 0.0109  -0.0336 5   GLN B CB    
960  C CG    . GLN B 5   ? 0.6123 0.4723 0.5155 -0.1063 0.0179  -0.0235 5   GLN B CG    
961  C CD    . GLN B 5   ? 0.7137 0.5517 0.6000 -0.0949 0.0154  -0.0224 5   GLN B CD    
962  O OE1   . GLN B 5   ? 0.7662 0.6014 0.6448 -0.0819 0.0152  -0.0136 5   GLN B OE1   
963  N NE2   . GLN B 5   ? 0.7227 0.5496 0.6053 -0.0976 0.0131  -0.0314 5   GLN B NE2   
964  N N     . GLU B 6   ? 0.2953 0.2097 0.2121 -0.0785 0.0031  -0.0187 6   GLU B N     
965  C CA    . GLU B 6   ? 0.2870 0.2093 0.2042 -0.0720 0.0046  -0.0106 6   GLU B CA    
966  C C     . GLU B 6   ? 0.3222 0.2232 0.2257 -0.0707 0.0097  -0.0028 6   GLU B C     
967  O O     . GLU B 6   ? 0.4185 0.2977 0.3102 -0.0678 0.0107  -0.0015 6   GLU B O     
968  C CB    . GLU B 6   ? 0.3540 0.2851 0.2707 -0.0593 -0.0002 -0.0083 6   GLU B CB    
969  C CG    . GLU B 6   ? 0.3596 0.3118 0.2869 -0.0568 -0.0045 -0.0121 6   GLU B CG    
970  C CD    . GLU B 6   ? 0.2491 0.2054 0.1743 -0.0454 -0.0066 -0.0082 6   GLU B CD    
971  O OE1   . GLU B 6   ? 0.2257 0.1851 0.1517 -0.0424 -0.0052 -0.0028 6   GLU B OE1   
972  O OE2   . GLU B 6   ? 0.2646 0.2203 0.1865 -0.0402 -0.0092 -0.0108 6   GLU B OE2   
973  N N     . SER B 7   ? 0.2514 0.1580 0.1546 -0.0712 0.0127  0.0027  7   SER B N     
974  C CA    . SER B 7   ? 0.3083 0.1969 0.1960 -0.0674 0.0161  0.0113  7   SER B CA    
975  C C     . SER B 7   ? 0.3058 0.2082 0.1935 -0.0631 0.0151  0.0156  7   SER B C     
976  O O     . SER B 7   ? 0.2941 0.2165 0.1937 -0.0650 0.0141  0.0119  7   SER B O     
977  C CB    . SER B 7   ? 0.3612 0.2303 0.2410 -0.0781 0.0243  0.0131  7   SER B CB    
978  O OG    . SER B 7   ? 0.4139 0.2990 0.3064 -0.0892 0.0285  0.0090  7   SER B OG    
979  N N     . GLY B 8   ? 0.2619 0.1527 0.1352 -0.0567 0.0150  0.0233  8   GLY B N     
980  C CA    . GLY B 8   ? 0.2540 0.1542 0.1229 -0.0537 0.0139  0.0270  8   GLY B CA    
981  C C     . GLY B 8   ? 0.2720 0.1805 0.1406 -0.0424 0.0060  0.0293  8   GLY B C     
982  O O     . GLY B 8   ? 0.2346 0.1502 0.0980 -0.0402 0.0038  0.0316  8   GLY B O     
983  N N     . GLY B 9   ? 0.2336 0.1423 0.1076 -0.0357 0.0021  0.0283  9   GLY B N     
984  C CA    . GLY B 9   ? 0.2472 0.1677 0.1252 -0.0261 -0.0044 0.0299  9   GLY B CA    
985  C C     . GLY B 9   ? 0.3053 0.2183 0.1699 -0.0181 -0.0075 0.0375  9   GLY B C     
986  O O     . GLY B 9   ? 0.3407 0.2338 0.1898 -0.0176 -0.0041 0.0428  9   GLY B O     
987  N N     . GLY B 10  ? 0.2690 0.1985 0.1395 -0.0116 -0.0142 0.0381  10  GLY B N     
988  C CA    . GLY B 10  ? 0.2750 0.2025 0.1346 -0.0024 -0.0195 0.0449  10  GLY B CA    
989  C C     . GLY B 10  ? 0.2819 0.2331 0.1501 -0.0007 -0.0273 0.0427  10  GLY B C     
990  O O     . GLY B 10  ? 0.2308 0.1978 0.1152 -0.0051 -0.0278 0.0366  10  GLY B O     
991  N N     . LEU B 11  ? 0.2514 0.2032 0.1071 0.0055  -0.0333 0.0479  11  LEU B N     
992  C CA    . LEU B 11  ? 0.2681 0.2425 0.1301 0.0074  -0.0426 0.0455  11  LEU B CA    
993  C C     . LEU B 11  ? 0.2887 0.2623 0.1362 0.0002  -0.0433 0.0435  11  LEU B C     
994  O O     . LEU B 11  ? 0.2814 0.2400 0.1124 0.0009  -0.0385 0.0478  11  LEU B O     
995  C CB    . LEU B 11  ? 0.3605 0.3404 0.2193 0.0215  -0.0511 0.0521  11  LEU B CB    
996  C CG    . LEU B 11  ? 0.3889 0.3944 0.2534 0.0232  -0.0628 0.0494  11  LEU B CG    
997  C CD1   . LEU B 11  ? 0.3419 0.3711 0.2341 0.0170  -0.0640 0.0410  11  LEU B CD1   
998  C CD2   . LEU B 11  ? 0.4370 0.4476 0.2997 0.0371  -0.0707 0.0565  11  LEU B CD2   
999  N N     . VAL B 12  ? 0.2774 0.2689 0.1357 -0.0061 -0.0470 0.0358  12  VAL B N     
1000 C CA    . VAL B 12  ? 0.3000 0.2922 0.1480 -0.0120 -0.0465 0.0311  12  VAL B CA    
1001 C C     . VAL B 12  ? 0.3236 0.3372 0.1820 -0.0133 -0.0562 0.0242  12  VAL B C     
1002 O O     . VAL B 12  ? 0.2875 0.3163 0.1656 -0.0153 -0.0596 0.0213  12  VAL B O     
1003 C CB    . VAL B 12  ? 0.3134 0.2977 0.1637 -0.0223 -0.0362 0.0262  12  VAL B CB    
1004 C CG1   . VAL B 12  ? 0.3268 0.3227 0.1990 -0.0271 -0.0357 0.0201  12  VAL B CG1   
1005 C CG2   . VAL B 12  ? 0.3281 0.3109 0.1677 -0.0262 -0.0336 0.0214  12  VAL B CG2   
1006 N N     . GLN B 13  ? 0.3424 0.3577 0.1885 -0.0122 -0.0599 0.0212  13  GLN B N     
1007 C CA    . GLN B 13  ? 0.3301 0.3629 0.1851 -0.0155 -0.0688 0.0125  13  GLN B CA    
1008 C C     . GLN B 13  ? 0.2491 0.2826 0.1142 -0.0276 -0.0629 0.0034  13  GLN B C     
1009 O O     . GLN B 13  ? 0.2522 0.2718 0.1102 -0.0320 -0.0530 0.0029  13  GLN B O     
1010 C CB    . GLN B 13  ? 0.3416 0.3736 0.1771 -0.0104 -0.0748 0.0109  13  GLN B CB    
1011 C CG    . GLN B 13  ? 0.5486 0.5809 0.3723 0.0036  -0.0826 0.0192  13  GLN B CG    
1012 C CD    . GLN B 13  ? 0.6532 0.6866 0.4585 0.0083  -0.0904 0.0162  13  GLN B CD    
1013 O OE1   . GLN B 13  ? 0.6015 0.6310 0.3929 0.0043  -0.0848 0.0121  13  GLN B OE1   
1014 N NE2   . GLN B 13  ? 0.8005 0.8335 0.6048 0.0106  -0.1050 0.0205  13  GLN B NE2   
1015 N N     . ALA B 14  ? 0.2504 0.3001 0.1331 -0.0328 -0.0687 -0.0038 14  ALA B N     
1016 C CA    . ALA B 14  ? 0.2226 0.2702 0.1124 -0.0434 -0.0633 -0.0128 14  ALA B CA    
1017 C C     . ALA B 14  ? 0.3118 0.3461 0.1815 -0.0449 -0.0596 -0.0171 14  ALA B C     
1018 O O     . ALA B 14  ? 0.3208 0.3554 0.1754 -0.0399 -0.0656 -0.0172 14  ALA B O     
1019 C CB    . ALA B 14  ? 0.2730 0.3381 0.1822 -0.0489 -0.0702 -0.0204 14  ALA B CB    
1020 N N     . GLY B 15  ? 0.3273 0.3506 0.1965 -0.0509 -0.0495 -0.0206 15  GLY B N     
1021 C CA    . GLY B 15  ? 0.2437 0.2545 0.0952 -0.0516 -0.0435 -0.0238 15  GLY B CA    
1022 C C     . GLY B 15  ? 0.3781 0.3777 0.2163 -0.0472 -0.0358 -0.0158 15  GLY B C     
1023 O O     . GLY B 15  ? 0.2819 0.2719 0.1091 -0.0486 -0.0277 -0.0179 15  GLY B O     
1024 N N     . GLY B 16  ? 0.2416 0.2417 0.0813 -0.0421 -0.0373 -0.0068 16  GLY B N     
1025 C CA    . GLY B 16  ? 0.2690 0.2572 0.0982 -0.0391 -0.0295 0.0009  16  GLY B CA    
1026 C C     . GLY B 16  ? 0.2675 0.2501 0.1062 -0.0440 -0.0193 0.0009  16  GLY B C     
1027 O O     . GLY B 16  ? 0.2923 0.2791 0.1434 -0.0487 -0.0176 -0.0048 16  GLY B O     
1028 N N     . SER B 17  ? 0.2459 0.2189 0.0786 -0.0429 -0.0122 0.0072  17  SER B N     
1029 C CA    . SER B 17  ? 0.2489 0.2188 0.0909 -0.0476 -0.0029 0.0068  17  SER B CA    
1030 C C     . SER B 17  ? 0.2978 0.2594 0.1390 -0.0462 0.0001  0.0145  17  SER B C     
1031 O O     . SER B 17  ? 0.3032 0.2571 0.1320 -0.0419 -0.0012 0.0206  17  SER B O     
1032 C CB    . SER B 17  ? 0.3062 0.2729 0.1424 -0.0509 0.0065  0.0028  17  SER B CB    
1033 O OG    . SER B 17  ? 0.3204 0.2902 0.1520 -0.0513 0.0037  -0.0044 17  SER B OG    
1034 N N     . LEU B 18  ? 0.2259 0.1885 0.0797 -0.0498 0.0043  0.0139  18  LEU B N     
1035 C CA    . LEU B 18  ? 0.2130 0.1665 0.0673 -0.0508 0.0083  0.0191  18  LEU B CA    
1036 C C     . LEU B 18  ? 0.2501 0.2094 0.1200 -0.0563 0.0143  0.0149  18  LEU B C     
1037 O O     . LEU B 18  ? 0.2256 0.1957 0.1073 -0.0563 0.0141  0.0092  18  LEU B O     
1038 C CB    . LEU B 18  ? 0.2588 0.2088 0.1130 -0.0452 0.0010  0.0238  18  LEU B CB    
1039 C CG    . LEU B 18  ? 0.2549 0.2168 0.1276 -0.0428 -0.0042 0.0198  18  LEU B CG    
1040 C CD1   . LEU B 18  ? 0.2604 0.2214 0.1459 -0.0454 0.0001  0.0181  18  LEU B CD1   
1041 C CD2   . LEU B 18  ? 0.2386 0.2028 0.1111 -0.0353 -0.0123 0.0233  18  LEU B CD2   
1042 N N     . ARG B 19  ? 0.2029 0.1552 0.0748 -0.0601 0.0192  0.0174  19  ARG B N     
1043 C CA    . ARG B 19  ? 0.2578 0.2185 0.1473 -0.0649 0.0236  0.0128  19  ARG B CA    
1044 C C     . ARG B 19  ? 0.2491 0.2052 0.1454 -0.0645 0.0202  0.0135  19  ARG B C     
1045 O O     . ARG B 19  ? 0.2442 0.1848 0.1297 -0.0650 0.0210  0.0182  19  ARG B O     
1046 C CB    . ARG B 19  ? 0.2911 0.2501 0.1782 -0.0727 0.0344  0.0130  19  ARG B CB    
1047 C CG    . ARG B 19  ? 0.2767 0.2500 0.1847 -0.0779 0.0386  0.0074  19  ARG B CG    
1048 C CD    . ARG B 19  ? 0.2953 0.2688 0.2052 -0.0847 0.0491  0.0074  19  ARG B CD    
1049 N NE    . ARG B 19  ? 0.3600 0.3178 0.2639 -0.0888 0.0510  0.0113  19  ARG B NE    
1050 C CZ    . ARG B 19  ? 0.4291 0.3855 0.3374 -0.0952 0.0593  0.0114  19  ARG B CZ    
1051 N NH1   . ARG B 19  ? 0.3138 0.2855 0.2334 -0.0978 0.0664  0.0079  19  ARG B NH1   
1052 N NH2   . ARG B 19  ? 0.5121 0.4514 0.4136 -0.0987 0.0612  0.0150  19  ARG B NH2   
1053 N N     . LEU B 20  ? 0.1697 0.1373 0.0817 -0.0629 0.0167  0.0088  20  LEU B N     
1054 C CA    . LEU B 20  ? 0.1710 0.1350 0.0886 -0.0634 0.0141  0.0075  20  LEU B CA    
1055 C C     . LEU B 20  ? 0.2078 0.1782 0.1366 -0.0717 0.0184  0.0030  20  LEU B C     
1056 O O     . LEU B 20  ? 0.1785 0.1633 0.1177 -0.0740 0.0216  -0.0003 20  LEU B O     
1057 C CB    . LEU B 20  ? 0.1620 0.1340 0.0874 -0.0563 0.0076  0.0054  20  LEU B CB    
1058 C CG    . LEU B 20  ? 0.1737 0.1435 0.0930 -0.0492 0.0032  0.0090  20  LEU B CG    
1059 C CD1   . LEU B 20  ? 0.1706 0.1471 0.0980 -0.0434 -0.0009 0.0074  20  LEU B CD1   
1060 C CD2   . LEU B 20  ? 0.2239 0.1786 0.1298 -0.0471 0.0026  0.0144  20  LEU B CD2   
1061 N N     . SER B 21  ? 0.1843 0.1442 0.1119 -0.0762 0.0186  0.0022  21  SER B N     
1062 C CA    . SER B 21  ? 0.2104 0.1769 0.1500 -0.0861 0.0218  -0.0033 21  SER B CA    
1063 C C     . SER B 21  ? 0.2311 0.2010 0.1774 -0.0848 0.0148  -0.0089 21  SER B C     
1064 O O     . SER B 21  ? 0.2543 0.2104 0.1906 -0.0795 0.0110  -0.0075 21  SER B O     
1065 C CB    . SER B 21  ? 0.2828 0.2309 0.2137 -0.0961 0.0298  -0.0005 21  SER B CB    
1066 O OG    . SER B 21  ? 0.3781 0.3230 0.3003 -0.0975 0.0373  0.0048  21  SER B OG    
1067 N N     . CYS B 22  ? 0.1987 0.1880 0.1614 -0.0889 0.0130  -0.0156 22  CYS B N     
1068 C CA    . CYS B 22  ? 0.2290 0.2230 0.1968 -0.0890 0.0058  -0.0222 22  CYS B CA    
1069 C C     . CYS B 22  ? 0.2091 0.2131 0.1911 -0.1024 0.0079  -0.0292 22  CYS B C     
1070 O O     . CYS B 22  ? 0.2009 0.2293 0.2003 -0.1043 0.0080  -0.0325 22  CYS B O     
1071 C CB    . CYS B 22  ? 0.2843 0.2956 0.2582 -0.0784 -0.0010 -0.0234 22  CYS B CB    
1072 S SG    . CYS B 22  ? 0.3566 0.3705 0.3287 -0.0745 -0.0107 -0.0299 22  CYS B SG    
1073 N N     . ALA B 23  ? 0.2331 0.2189 0.2088 -0.1109 0.0098  -0.0316 23  ALA B N     
1074 C CA    . ALA B 23  ? 0.2540 0.2470 0.2432 -0.1199 0.0124  -0.0368 23  ALA B CA    
1075 C C     . ALA B 23  ? 0.2683 0.2673 0.2626 -0.1205 0.0031  -0.0458 23  ALA B C     
1076 O O     . ALA B 23  ? 0.2763 0.2560 0.2557 -0.1179 -0.0004 -0.0472 23  ALA B O     
1077 C CB    . ALA B 23  ? 0.3115 0.2785 0.2898 -0.1265 0.0216  -0.0324 23  ALA B CB    
1078 N N     . ALA B 24  ? 0.3235 0.3490 0.3380 -0.1233 -0.0010 -0.0519 24  ALA B N     
1079 C CA    . ALA B 24  ? 0.3408 0.3766 0.3609 -0.1230 -0.0115 -0.0607 24  ALA B CA    
1080 C C     . ALA B 24  ? 0.4621 0.4974 0.4929 -0.1354 -0.0100 -0.0668 24  ALA B C     
1081 O O     . ALA B 24  ? 0.3520 0.3926 0.3945 -0.1434 -0.0018 -0.0650 24  ALA B O     
1082 C CB    . ALA B 24  ? 0.2770 0.3448 0.3114 -0.1151 -0.0196 -0.0630 24  ALA B CB    
1083 N N     . SER B 25  ? 0.6109 0.6395 0.6368 -0.1370 -0.0178 -0.0744 25  SER B N     
1084 C CA    . SER B 25  ? 0.6978 0.7274 0.7346 -0.1493 -0.0188 -0.0820 25  SER B CA    
1085 C C     . SER B 25  ? 0.7159 0.7781 0.7794 -0.1549 -0.0191 -0.0843 25  SER B C     
1086 O O     . SER B 25  ? 0.6995 0.7893 0.7742 -0.1475 -0.0272 -0.0860 25  SER B O     
1087 C CB    . SER B 25  ? 0.7428 0.7685 0.7719 -0.1476 -0.0305 -0.0914 25  SER B CB    
1088 O OG    . SER B 25  ? 0.8219 0.8179 0.8266 -0.1415 -0.0294 -0.0898 25  SER B OG    
1089 N N     . ASN B 32  ? 0.3257 0.5740 0.4479 -0.0483 -0.0579 -0.0643 32  ASN B N     
1090 C CA    . ASN B 32  ? 0.2962 0.5149 0.3999 -0.0569 -0.0514 -0.0625 32  ASN B CA    
1091 C C     . ASN B 32  ? 0.1509 0.3601 0.2433 -0.0477 -0.0463 -0.0554 32  ASN B C     
1092 O O     . ASN B 32  ? 0.1801 0.3814 0.2744 -0.0528 -0.0351 -0.0523 32  ASN B O     
1093 C CB    . ASN B 32  ? 0.4760 0.6880 0.5889 -0.0737 -0.0406 -0.0645 32  ASN B CB    
1094 C CG    . ASN B 32  ? 0.6230 0.8314 0.7387 -0.0858 -0.0449 -0.0714 32  ASN B CG    
1095 O OD1   . ASN B 32  ? 0.6392 0.8239 0.7373 -0.0907 -0.0467 -0.0729 32  ASN B OD1   
1096 N ND2   . ASN B 32  ? 0.7140 0.9464 0.8526 -0.0905 -0.0461 -0.0758 32  ASN B ND2   
1097 N N     . THR B 33  ? 0.1370 0.3419 0.2145 -0.0333 -0.0533 -0.0516 33  THR B N     
1098 C CA    . THR B 33  ? 0.1684 0.3510 0.2304 -0.0229 -0.0459 -0.0417 33  THR B CA    
1099 C C     . THR B 33  ? 0.2334 0.3847 0.2747 -0.0295 -0.0413 -0.0391 33  THR B C     
1100 O O     . THR B 33  ? 0.2495 0.3915 0.2777 -0.0310 -0.0475 -0.0416 33  THR B O     
1101 C CB    . THR B 33  ? 0.2195 0.4047 0.2723 -0.0046 -0.0527 -0.0367 33  THR B CB    
1102 O OG1   . THR B 33  ? 0.3631 0.5785 0.4360 0.0037  -0.0571 -0.0386 33  THR B OG1   
1103 C CG2   . THR B 33  ? 0.2159 0.3764 0.2534 0.0041  -0.0442 -0.0273 33  THR B CG2   
1104 N N     . MET B 34  ? 0.1687 0.3040 0.2060 -0.0320 -0.0309 -0.0341 34  MET B N     
1105 C CA    . MET B 34  ? 0.2001 0.3086 0.2200 -0.0368 -0.0268 -0.0309 34  MET B CA    
1106 C C     . MET B 34  ? 0.2102 0.3042 0.2180 -0.0263 -0.0233 -0.0232 34  MET B C     
1107 O O     . MET B 34  ? 0.1105 0.2071 0.1234 -0.0217 -0.0182 -0.0203 34  MET B O     
1108 C CB    . MET B 34  ? 0.3042 0.4058 0.3279 -0.0493 -0.0183 -0.0315 34  MET B CB    
1109 C CG    . MET B 34  ? 0.5604 0.6388 0.5694 -0.0567 -0.0166 -0.0308 34  MET B CG    
1110 S SD    . MET B 34  ? 0.7281 0.8080 0.7407 -0.0695 -0.0212 -0.0396 34  MET B SD    
1111 C CE    . MET B 34  ? 0.5845 0.6885 0.6219 -0.0802 -0.0165 -0.0442 34  MET B CE    
1112 N N     . THR B 35  ? 0.1179 0.1953 0.1099 -0.0237 -0.0249 -0.0205 35  THR B N     
1113 C CA    . THR B 35  ? 0.1161 0.1804 0.0981 -0.0158 -0.0212 -0.0137 35  THR B CA    
1114 C C     . THR B 35  ? 0.1153 0.1621 0.0877 -0.0212 -0.0175 -0.0117 35  THR B C     
1115 O O     . THR B 35  ? 0.1202 0.1613 0.0874 -0.0260 -0.0197 -0.0146 35  THR B O     
1116 C CB    . THR B 35  ? 0.1775 0.2416 0.1502 -0.0048 -0.0259 -0.0111 35  THR B CB    
1117 O OG1   . THR B 35  ? 0.2300 0.3124 0.2113 0.0018  -0.0312 -0.0129 35  THR B OG1   
1118 C CG2   . THR B 35  ? 0.1560 0.2062 0.1206 0.0018  -0.0201 -0.0038 35  THR B CG2   
1119 N N     . TRP B 36  ? 0.1112 0.1495 0.0815 -0.0200 -0.0121 -0.0074 36  TRP B N     
1120 C CA    . TRP B 36  ? 0.1106 0.1358 0.0736 -0.0234 -0.0094 -0.0050 36  TRP B CA    
1121 C C     . TRP B 36  ? 0.1112 0.1294 0.0682 -0.0169 -0.0079 -0.0004 36  TRP B C     
1122 O O     . TRP B 36  ? 0.1151 0.1341 0.0737 -0.0121 -0.0059 0.0020  36  TRP B O     
1123 C CB    . TRP B 36  ? 0.1078 0.1307 0.0733 -0.0290 -0.0050 -0.0046 36  TRP B CB    
1124 C CG    . TRP B 36  ? 0.1788 0.2062 0.1489 -0.0365 -0.0040 -0.0079 36  TRP B CG    
1125 C CD1   . TRP B 36  ? 0.2340 0.2747 0.2148 -0.0380 -0.0029 -0.0111 36  TRP B CD1   
1126 C CD2   . TRP B 36  ? 0.1364 0.1549 0.1012 -0.0436 -0.0028 -0.0080 36  TRP B CD2   
1127 N NE1   . TRP B 36  ? 0.2358 0.2772 0.2192 -0.0471 -0.0004 -0.0134 36  TRP B NE1   
1128 C CE2   . TRP B 36  ? 0.1929 0.2186 0.1651 -0.0506 -0.0001 -0.0111 36  TRP B CE2   
1129 C CE3   . TRP B 36  ? 0.1638 0.1687 0.1186 -0.0438 -0.0032 -0.0051 36  TRP B CE3   
1130 C CZ2   . TRP B 36  ? 0.1658 0.1825 0.1337 -0.0590 0.0030  -0.0111 36  TRP B CZ2   
1131 C CZ3   . TRP B 36  ? 0.1747 0.1703 0.1244 -0.0502 -0.0011 -0.0049 36  TRP B CZ3   
1132 C CH2   . TRP B 36  ? 0.2177 0.2177 0.1730 -0.0582 0.0023  -0.0077 36  TRP B CH2   
1133 N N     . TYR B 37  ? 0.1135 0.1240 0.0639 -0.0169 -0.0079 0.0010  37  TYR B N     
1134 C CA    . TYR B 37  ? 0.1144 0.1199 0.0614 -0.0126 -0.0049 0.0053  37  TYR B CA    
1135 C C     . TYR B 37  ? 0.1121 0.1134 0.0599 -0.0160 -0.0034 0.0066  37  TYR B C     
1136 O O     . TYR B 37  ? 0.1328 0.1316 0.0791 -0.0197 -0.0051 0.0049  37  TYR B O     
1137 C CB    . TYR B 37  ? 0.1339 0.1369 0.0722 -0.0066 -0.0060 0.0058  37  TYR B CB    
1138 C CG    . TYR B 37  ? 0.1278 0.1361 0.0632 -0.0015 -0.0092 0.0050  37  TYR B CG    
1139 C CD1   . TYR B 37  ? 0.1302 0.1454 0.0664 -0.0035 -0.0152 -0.0006 37  TYR B CD1   
1140 C CD2   . TYR B 37  ? 0.1328 0.1395 0.0649 0.0053  -0.0063 0.0099  37  TYR B CD2   
1141 C CE1   . TYR B 37  ? 0.2671 0.2909 0.2019 0.0021  -0.0199 -0.0017 37  TYR B CE1   
1142 C CE2   . TYR B 37  ? 0.1405 0.1522 0.0684 0.0121  -0.0101 0.0101  37  TYR B CE2   
1143 C CZ    . TYR B 37  ? 0.1414 0.1634 0.0713 0.0110  -0.0177 0.0041  37  TYR B CZ    
1144 O OH    . TYR B 37  ? 0.1500 0.1809 0.0770 0.0188  -0.0232 0.0040  37  TYR B OH    
1145 N N     . ARG B 38  ? 0.1112 0.1119 0.0612 -0.0146 -0.0002 0.0098  38  ARG B N     
1146 C CA    . ARG B 38  ? 0.1101 0.1109 0.0624 -0.0160 0.0000  0.0110  38  ARG B CA    
1147 C C     . ARG B 38  ? 0.1744 0.1768 0.1291 -0.0122 0.0039  0.0142  38  ARG B C     
1148 O O     . ARG B 38  ? 0.1898 0.1913 0.1447 -0.0105 0.0078  0.0162  38  ARG B O     
1149 C CB    . ARG B 38  ? 0.1132 0.1163 0.0701 -0.0214 -0.0007 0.0103  38  ARG B CB    
1150 C CG    . ARG B 38  ? 0.1715 0.1760 0.1339 -0.0233 0.0025  0.0107  38  ARG B CG    
1151 C CD    . ARG B 38  ? 0.1272 0.1327 0.0910 -0.0291 0.0010  0.0080  38  ARG B CD    
1152 N NE    . ARG B 38  ? 0.1666 0.1706 0.1349 -0.0322 0.0042  0.0068  38  ARG B NE    
1153 C CZ    . ARG B 38  ? 0.2353 0.2386 0.2034 -0.0375 0.0034  0.0030  38  ARG B CZ    
1154 N NH1   . ARG B 38  ? 0.1177 0.1225 0.0802 -0.0394 -0.0003 0.0011  38  ARG B NH1   
1155 N NH2   . ARG B 38  ? 0.2465 0.2453 0.2179 -0.0410 0.0069  0.0010  38  ARG B NH2   
1156 N N     . GLN B 39  ? 0.1133 0.1176 0.0698 -0.0103 0.0038  0.0152  39  GLN B N     
1157 C CA    . GLN B 39  ? 0.1153 0.1246 0.0774 -0.0071 0.0087  0.0181  39  GLN B CA    
1158 C C     . GLN B 39  ? 0.1153 0.1339 0.0880 -0.0090 0.0067  0.0185  39  GLN B C     
1159 O O     . GLN B 39  ? 0.1270 0.1452 0.0976 -0.0059 0.0032  0.0185  39  GLN B O     
1160 C CB    . GLN B 39  ? 0.1517 0.1567 0.1056 0.0003  0.0113  0.0186  39  GLN B CB    
1161 C CG    . GLN B 39  ? 0.1950 0.1932 0.1411 0.0035  0.0078  0.0161  39  GLN B CG    
1162 C CD    . GLN B 39  ? 0.2812 0.2721 0.2155 0.0103  0.0109  0.0148  39  GLN B CD    
1163 O OE1   . GLN B 39  ? 0.1950 0.1827 0.1208 0.0111  0.0112  0.0138  39  GLN B OE1   
1164 N NE2   . GLN B 39  ? 0.2512 0.2396 0.1840 0.0164  0.0131  0.0148  39  GLN B NE2   
1165 N N     . ALA B 40  ? 0.1090 0.1350 0.0923 -0.0143 0.0083  0.0187  40  ALA B N     
1166 C CA    . ALA B 40  ? 0.1071 0.1455 0.1020 -0.0169 0.0050  0.0181  40  ALA B CA    
1167 C C     . ALA B 40  ? 0.1087 0.1587 0.1148 -0.0124 0.0093  0.0206  40  ALA B C     
1168 O O     . ALA B 40  ? 0.1122 0.1593 0.1169 -0.0092 0.0168  0.0228  40  ALA B O     
1169 C CB    . ALA B 40  ? 0.1709 0.2126 0.1731 -0.0261 0.0049  0.0155  40  ALA B CB    
1170 N N     . PRO B 41  ? 0.1329 0.1971 0.1497 -0.0110 0.0048  0.0205  41  PRO B N     
1171 C CA    . PRO B 41  ? 0.1391 0.2183 0.1701 -0.0059 0.0093  0.0226  41  PRO B CA    
1172 C C     . PRO B 41  ? 0.1099 0.1953 0.1529 -0.0123 0.0183  0.0232  41  PRO B C     
1173 O O     . PRO B 41  ? 0.1086 0.1960 0.1582 -0.0225 0.0178  0.0208  41  PRO B O     
1174 C CB    . PRO B 41  ? 0.1454 0.2422 0.1884 -0.0053 0.0006  0.0216  41  PRO B CB    
1175 C CG    . PRO B 41  ? 0.1360 0.2195 0.1621 -0.0047 -0.0075 0.0209  41  PRO B CG    
1176 C CD    . PRO B 41  ? 0.1467 0.2139 0.1613 -0.0121 -0.0047 0.0189  41  PRO B CD    
1177 N N     . GLY B 42  ? 0.1147 0.2009 0.1587 -0.0064 0.0276  0.0262  42  GLY B N     
1178 C CA    . GLY B 42  ? 0.1189 0.2092 0.1724 -0.0115 0.0387  0.0283  42  GLY B CA    
1179 C C     . GLY B 42  ? 0.1232 0.1944 0.1633 -0.0168 0.0431  0.0294  42  GLY B C     
1180 O O     . GLY B 42  ? 0.1298 0.2009 0.1764 -0.0225 0.0527  0.0318  42  GLY B O     
1181 N N     . LYS B 43  ? 0.1217 0.1768 0.1434 -0.0144 0.0372  0.0282  43  LYS B N     
1182 C CA    . LYS B 43  ? 0.1268 0.1652 0.1359 -0.0168 0.0402  0.0295  43  LYS B CA    
1183 C C     . LYS B 43  ? 0.1312 0.1573 0.1202 -0.0076 0.0394  0.0307  43  LYS B C     
1184 O O     . LYS B 43  ? 0.1286 0.1554 0.1124 -0.0022 0.0341  0.0286  43  LYS B O     
1185 C CB    . LYS B 43  ? 0.1220 0.1556 0.1307 -0.0239 0.0333  0.0257  43  LYS B CB    
1186 C CG    . LYS B 43  ? 0.1230 0.1665 0.1489 -0.0345 0.0332  0.0228  43  LYS B CG    
1187 C CD    . LYS B 43  ? 0.1211 0.1558 0.1422 -0.0407 0.0279  0.0183  43  LYS B CD    
1188 C CE    . LYS B 43  ? 0.2342 0.2773 0.2707 -0.0524 0.0274  0.0137  43  LYS B CE    
1189 N NZ    . LYS B 43  ? 0.2058 0.2377 0.2351 -0.0580 0.0236  0.0086  43  LYS B NZ    
1190 N N     . GLN B 44  ? 0.1404 0.1542 0.1175 -0.0059 0.0444  0.0338  44  GLN B N     
1191 C CA    . GLN B 44  ? 0.1706 0.1741 0.1283 0.0020  0.0417  0.0339  44  GLN B CA    
1192 C C     . GLN B 44  ? 0.1389 0.1387 0.0924 0.0003  0.0320  0.0299  44  GLN B C     
1193 O O     . GLN B 44  ? 0.1319 0.1333 0.0939 -0.0062 0.0292  0.0280  44  GLN B O     
1194 C CB    . GLN B 44  ? 0.1622 0.1555 0.1074 0.0061  0.0500  0.0396  44  GLN B CB    
1195 C CG    . GLN B 44  ? 0.1977 0.1943 0.1460 0.0077  0.0622  0.0443  44  GLN B CG    
1196 C CD    . GLN B 44  ? 0.2411 0.2261 0.1816 0.0076  0.0730  0.0515  44  GLN B CD    
1197 O OE1   . GLN B 44  ? 0.2121 0.1887 0.1351 0.0155  0.0756  0.0543  44  GLN B OE1   
1198 N NE2   . GLN B 44  ? 0.3028 0.2865 0.2567 -0.0017 0.0774  0.0529  44  GLN B NE2   
1199 N N     . ARG B 45  ? 0.1422 0.1376 0.0825 0.0058  0.0272  0.0278  45  ARG B N     
1200 C CA    . ARG B 45  ? 0.1609 0.1553 0.0991 0.0038  0.0189  0.0236  45  ARG B CA    
1201 C C     . ARG B 45  ? 0.2027 0.1934 0.1402 0.0032  0.0193  0.0253  45  ARG B C     
1202 O O     . ARG B 45  ? 0.1994 0.1844 0.1289 0.0081  0.0239  0.0297  45  ARG B O     
1203 C CB    . ARG B 45  ? 0.1987 0.1901 0.1243 0.0086  0.0140  0.0202  45  ARG B CB    
1204 C CG    . ARG B 45  ? 0.2526 0.2453 0.1789 0.0049  0.0062  0.0152  45  ARG B CG    
1205 C CD    . ARG B 45  ? 0.1598 0.1495 0.0743 0.0082  0.0017  0.0107  45  ARG B CD    
1206 N NE    . ARG B 45  ? 0.1644 0.1492 0.0754 0.0090  0.0027  0.0086  45  ARG B NE    
1207 C CZ    . ARG B 45  ? 0.1872 0.1660 0.0861 0.0117  0.0002  0.0038  45  ARG B CZ    
1208 N NH1   . ARG B 45  ? 0.1707 0.1507 0.0606 0.0133  -0.0045 0.0006  45  ARG B NH1   
1209 N NH2   . ARG B 45  ? 0.1955 0.1669 0.0906 0.0133  0.0020  0.0018  45  ARG B NH2   
1210 N N     . GLU B 46  ? 0.1459 0.1387 0.0901 -0.0019 0.0153  0.0222  46  GLU B N     
1211 C CA    . GLU B 46  ? 0.1321 0.1210 0.0767 -0.0016 0.0162  0.0230  46  GLU B CA    
1212 C C     . GLU B 46  ? 0.1266 0.1201 0.0718 -0.0020 0.0096  0.0185  46  GLU B C     
1213 O O     . GLU B 46  ? 0.1188 0.1166 0.0679 -0.0070 0.0061  0.0147  46  GLU B O     
1214 C CB    . GLU B 46  ? 0.1702 0.1566 0.1240 -0.0085 0.0201  0.0228  46  GLU B CB    
1215 C CG    . GLU B 46  ? 0.4196 0.4043 0.3785 -0.0118 0.0271  0.0260  46  GLU B CG    
1216 C CD    . GLU B 46  ? 0.5072 0.4889 0.4750 -0.0201 0.0297  0.0238  46  GLU B CD    
1217 O OE1   . GLU B 46  ? 0.5157 0.5058 0.4923 -0.0267 0.0265  0.0199  46  GLU B OE1   
1218 O OE2   . GLU B 46  ? 0.4680 0.4379 0.4326 -0.0194 0.0346  0.0256  46  GLU B OE2   
1219 N N     . TRP B 47  ? 0.1325 0.1250 0.0745 0.0035  0.0090  0.0195  47  TRP B N     
1220 C CA    . TRP B 47  ? 0.1279 0.1275 0.0746 0.0031  0.0045  0.0154  47  TRP B CA    
1221 C C     . TRP B 47  ? 0.1451 0.1434 0.0994 -0.0038 0.0070  0.0128  47  TRP B C     
1222 O O     . TRP B 47  ? 0.1262 0.1165 0.0815 -0.0056 0.0121  0.0145  47  TRP B O     
1223 C CB    . TRP B 47  ? 0.1378 0.1374 0.0811 0.0126  0.0041  0.0181  47  TRP B CB    
1224 C CG    . TRP B 47  ? 0.1344 0.1440 0.0856 0.0137  0.0009  0.0142  47  TRP B CG    
1225 C CD1   . TRP B 47  ? 0.2416 0.2654 0.1973 0.0133  -0.0058 0.0096  47  TRP B CD1   
1226 C CD2   . TRP B 47  ? 0.1866 0.1933 0.1437 0.0144  0.0051  0.0137  47  TRP B CD2   
1227 N NE1   . TRP B 47  ? 0.1570 0.1896 0.1229 0.0142  -0.0055 0.0070  47  TRP B NE1   
1228 C CE2   . TRP B 47  ? 0.1791 0.2005 0.1449 0.0157  0.0014  0.0095  47  TRP B CE2   
1229 C CE3   . TRP B 47  ? 0.2369 0.2294 0.1929 0.0135  0.0123  0.0157  47  TRP B CE3   
1230 C CZ2   . TRP B 47  ? 0.1816 0.2044 0.1543 0.0179  0.0053  0.0077  47  TRP B CZ2   
1231 C CZ3   . TRP B 47  ? 0.2346 0.2258 0.1955 0.0153  0.0155  0.0133  47  TRP B CZ3   
1232 C CH2   . TRP B 47  ? 0.1415 0.1479 0.1103 0.0182  0.0124  0.0095  47  TRP B CH2   
1233 N N     . VAL B 48  ? 0.1152 0.1205 0.0738 -0.0085 0.0039  0.0084  48  VAL B N     
1234 C CA    A VAL B 48  ? 0.1546 0.1588 0.1169 -0.0145 0.0061  0.0055  48  VAL B CA    
1235 C CA    B VAL B 48  ? 0.1592 0.1632 0.1215 -0.0144 0.0062  0.0056  48  VAL B CA    
1236 C C     . VAL B 48  ? 0.1314 0.1414 0.0982 -0.0128 0.0068  0.0026  48  VAL B C     
1237 O O     . VAL B 48  ? 0.1640 0.1696 0.1318 -0.0132 0.0110  0.0011  48  VAL B O     
1238 C CB    A VAL B 48  ? 0.2012 0.2069 0.1626 -0.0213 0.0037  0.0039  48  VAL B CB    
1239 C CB    B VAL B 48  ? 0.2032 0.2085 0.1646 -0.0213 0.0039  0.0040  48  VAL B CB    
1240 C CG1   A VAL B 48  ? 0.2055 0.2097 0.1670 -0.0267 0.0055  0.0012  48  VAL B CG1   
1241 C CG1   B VAL B 48  ? 0.2484 0.2506 0.2080 -0.0213 0.0036  0.0068  48  VAL B CG1   
1242 C CG2   A VAL B 48  ? 0.2655 0.2682 0.2248 -0.0214 0.0032  0.0066  48  VAL B CG2   
1243 C CG2   B VAL B 48  ? 0.1854 0.1965 0.1470 -0.0228 0.0007  0.0019  48  VAL B CG2   
1244 N N     . ALA B 49  ? 0.1240 0.1447 0.0944 -0.0113 0.0032  0.0009  49  ALA B N     
1245 C CA    . ALA B 49  ? 0.1114 0.1419 0.0897 -0.0101 0.0045  -0.0022 49  ALA B CA    
1246 C C     . ALA B 49  ? 0.1102 0.1552 0.0944 -0.0080 -0.0011 -0.0040 49  ALA B C     
1247 O O     . ALA B 49  ? 0.1554 0.2005 0.1358 -0.0106 -0.0056 -0.0044 49  ALA B O     
1248 C CB    . ALA B 49  ? 0.1683 0.1991 0.1477 -0.0185 0.0078  -0.0054 49  ALA B CB    
1249 N N     . THR B 50  ? 0.1118 0.1698 0.1060 -0.0031 -0.0008 -0.0059 50  THR B N     
1250 C CA    . THR B 50  ? 0.1113 0.1885 0.1152 -0.0020 -0.0068 -0.0092 50  THR B CA    
1251 C C     . THR B 50  ? 0.1092 0.2022 0.1282 -0.0053 -0.0030 -0.0135 50  THR B C     
1252 O O     . THR B 50  ? 0.1276 0.2197 0.1498 -0.0006 0.0032  -0.0130 50  THR B O     
1253 C CB    . THR B 50  ? 0.1564 0.2396 0.1592 0.0111  -0.0122 -0.0064 50  THR B CB    
1254 O OG1   . THR B 50  ? 0.2673 0.3365 0.2551 0.0133  -0.0146 -0.0025 50  THR B OG1   
1255 C CG2   . THR B 50  ? 0.1190 0.2263 0.1338 0.0121  -0.0200 -0.0112 50  THR B CG2   
1256 N N     A MET B 51  ? 0.1130 0.2194 0.1411 -0.0140 -0.0057 -0.0180 51  MET B N     
1257 N N     B MET B 51  ? 0.1147 0.2214 0.1428 -0.0137 -0.0059 -0.0180 51  MET B N     
1258 C CA    A MET B 51  ? 0.1360 0.2630 0.1822 -0.0172 -0.0023 -0.0224 51  MET B CA    
1259 C CA    B MET B 51  ? 0.1364 0.2635 0.1826 -0.0175 -0.0024 -0.0225 51  MET B CA    
1260 C C     A MET B 51  ? 0.1472 0.2986 0.2072 -0.0127 -0.0114 -0.0258 51  MET B C     
1261 C C     B MET B 51  ? 0.1446 0.2964 0.2050 -0.0129 -0.0114 -0.0260 51  MET B C     
1262 O O     A MET B 51  ? 0.1085 0.2639 0.1684 -0.0196 -0.0183 -0.0294 51  MET B O     
1263 O O     B MET B 51  ? 0.1311 0.2879 0.1923 -0.0201 -0.0182 -0.0297 51  MET B O     
1264 C CB    A MET B 51  ? 0.1436 0.2682 0.1913 -0.0322 0.0030  -0.0250 51  MET B CB    
1265 C CB    B MET B 51  ? 0.1485 0.2719 0.1952 -0.0327 0.0024  -0.0250 51  MET B CB    
1266 C CG    A MET B 51  ? 0.1911 0.3395 0.2598 -0.0371 0.0076  -0.0297 51  MET B CG    
1267 C CG    B MET B 51  ? 0.1786 0.3261 0.2460 -0.0401 0.0044  -0.0304 51  MET B CG    
1268 S SD    A MET B 51  ? 0.1429 0.2821 0.2081 -0.0476 0.0216  -0.0291 51  MET B SD    
1269 S SD    B MET B 51  ? 0.1918 0.3576 0.2754 -0.0322 0.0133  -0.0312 51  MET B SD    
1270 C CE    A MET B 51  ? 0.1881 0.3589 0.2797 -0.0446 0.0286  -0.0334 51  MET B CE    
1271 C CE    B MET B 51  ? 0.1598 0.3007 0.2258 -0.0380 0.0256  -0.0282 51  MET B CE    
1272 N N     . ARG B 52  ? 0.1095 0.2763 0.1803 -0.0003 -0.0118 -0.0252 52  ARG B N     
1273 C CA    . ARG B 52  ? 0.1125 0.3057 0.1968 0.0066  -0.0220 -0.0282 52  ARG B CA    
1274 C C     . ARG B 52  ? 0.1096 0.3302 0.2175 -0.0052 -0.0222 -0.0359 52  ARG B C     
1275 O O     . ARG B 52  ? 0.1078 0.3311 0.2251 -0.0130 -0.0117 -0.0374 52  ARG B O     
1276 C CB    . ARG B 52  ? 0.2705 0.4714 0.3596 0.0252  -0.0215 -0.0242 52  ARG B CB    
1277 C CG    . ARG B 52  ? 0.3427 0.5130 0.4091 0.0352  -0.0182 -0.0163 52  ARG B CG    
1278 C CD    . ARG B 52  ? 0.4463 0.6199 0.5143 0.0551  -0.0184 -0.0115 52  ARG B CD    
1279 N NE    . ARG B 52  ? 0.6694 0.8616 0.7399 0.0664  -0.0309 -0.0105 52  ARG B NE    
1280 C CZ    . ARG B 52  ? 0.8306 1.0091 0.8814 0.0728  -0.0374 -0.0054 52  ARG B CZ    
1281 N NH1   . ARG B 52  ? 0.8368 0.9841 0.8670 0.0684  -0.0318 -0.0008 52  ARG B NH1   
1282 N NH2   . ARG B 52  ? 0.8982 1.0956 0.9500 0.0840  -0.0496 -0.0049 52  ARG B NH2   
1283 N N     . SER B 53  ? 0.1145 0.3567 0.2321 -0.0063 -0.0340 -0.0411 53  SER B N     
1284 C CA    . SER B 53  ? 0.1117 0.3831 0.2550 -0.0189 -0.0351 -0.0496 53  SER B CA    
1285 C C     . SER B 53  ? 0.1442 0.4366 0.3098 -0.0137 -0.0266 -0.0496 53  SER B C     
1286 O O     . SER B 53  ? 0.1134 0.4117 0.2924 -0.0263 -0.0183 -0.0527 53  SER B O     
1287 C CB    . SER B 53  ? 0.1828 0.4634 0.3264 -0.0175 -0.0489 -0.0534 53  SER B CB    
1288 O OG    . SER B 53  ? 0.3622 0.6546 0.5055 0.0021  -0.0568 -0.0497 53  SER B OG    
1289 N N     . ILE B 54  ? 0.1110 0.4117 0.2789 0.0058  -0.0276 -0.0453 54  ILE B N     
1290 C CA    . ILE B 54  ? 0.1141 0.4324 0.3015 0.0137  -0.0195 -0.0451 54  ILE B CA    
1291 C C     . ILE B 54  ? 0.1092 0.4132 0.2934 0.0089  -0.0025 -0.0437 54  ILE B C     
1292 O O     . ILE B 54  ? 0.1124 0.4307 0.3128 0.0123  0.0070  -0.0448 54  ILE B O     
1293 C CB    . ILE B 54  ? 0.1219 0.4447 0.3068 0.0378  -0.0255 -0.0398 54  ILE B CB    
1294 C CG1   . ILE B 54  ? 0.1311 0.4760 0.3385 0.0473  -0.0213 -0.0403 54  ILE B CG1   
1295 C CG2   . ILE B 54  ? 0.1568 0.4461 0.3173 0.0475  -0.0185 -0.0325 54  ILE B CG2   
1296 C CD1   . ILE B 54  ? 0.1445 0.4906 0.3475 0.0710  -0.0281 -0.0344 54  ILE B CD1   
1297 N N     . GLY B 55  ? 0.1101 0.3786 0.2686 0.0002  0.0016  -0.0404 55  GLY B N     
1298 C CA    . GLY B 55  ? 0.1088 0.3567 0.2570 -0.0063 0.0160  -0.0388 55  GLY B CA    
1299 C C     . GLY B 55  ? 0.1543 0.3729 0.2805 0.0048  0.0207  -0.0332 55  GLY B C     
1300 O O     . GLY B 55  ? 0.1194 0.3177 0.2323 -0.0017 0.0305  -0.0324 55  GLY B O     
1301 N N     . THR B 56  ? 0.1167 0.3309 0.2372 0.0206  0.0141  -0.0295 56  THR B N     
1302 C CA    . THR B 56  ? 0.1268 0.3103 0.2263 0.0289  0.0190  -0.0247 56  THR B CA    
1303 C C     . THR B 56  ? 0.1344 0.2903 0.2113 0.0197  0.0158  -0.0218 56  THR B C     
1304 O O     . THR B 56  ? 0.1620 0.3210 0.2372 0.0125  0.0076  -0.0222 56  THR B O     
1305 C CB    . THR B 56  ? 0.1417 0.3263 0.2412 0.0490  0.0146  -0.0205 56  THR B CB    
1306 O OG1   . THR B 56  ? 0.1897 0.3866 0.2908 0.0524  0.0011  -0.0191 56  THR B OG1   
1307 C CG2   . THR B 56  ? 0.1391 0.3465 0.2592 0.0612  0.0205  -0.0228 56  THR B CG2   
1308 N N     . THR B 57  ? 0.1404 0.2699 0.2006 0.0199  0.0226  -0.0196 57  THR B N     
1309 C CA    . THR B 57  ? 0.1221 0.2282 0.1636 0.0112  0.0207  -0.0172 57  THR B CA    
1310 C C     . THR B 57  ? 0.1304 0.2139 0.1579 0.0201  0.0215  -0.0128 57  THR B C     
1311 O O     . THR B 57  ? 0.1587 0.2368 0.1866 0.0297  0.0273  -0.0127 57  THR B O     
1312 C CB    . THR B 57  ? 0.1742 0.2705 0.2086 -0.0011 0.0280  -0.0195 57  THR B CB    
1313 O OG1   . THR B 57  ? 0.1465 0.2371 0.1793 0.0037  0.0376  -0.0216 57  THR B OG1   
1314 C CG2   . THR B 57  ? 0.1167 0.2307 0.1627 -0.0118 0.0287  -0.0227 57  THR B CG2   
1315 N N     . ARG B 58  ? 0.1406 0.2100 0.1558 0.0166  0.0169  -0.0094 58  ARG B N     
1316 C CA    . ARG B 58  ? 0.1370 0.1835 0.1393 0.0214  0.0194  -0.0054 58  ARG B CA    
1317 C C     . ARG B 58  ? 0.1318 0.1646 0.1233 0.0104  0.0184  -0.0047 58  ARG B C     
1318 O O     . ARG B 58  ? 0.1228 0.1626 0.1148 0.0035  0.0134  -0.0051 58  ARG B O     
1319 C CB    . ARG B 58  ? 0.3271 0.3729 0.3270 0.0341  0.0150  0.0001  58  ARG B CB    
1320 C CG    . ARG B 58  ? 0.4173 0.4378 0.4052 0.0398  0.0205  0.0047  58  ARG B CG    
1321 C CD    . ARG B 58  ? 0.5187 0.5380 0.5032 0.0553  0.0179  0.0112  58  ARG B CD    
1322 N NE    . ARG B 58  ? 0.5014 0.5257 0.4800 0.0554  0.0101  0.0149  58  ARG B NE    
1323 C CZ    . ARG B 58  ? 0.4232 0.4294 0.3883 0.0538  0.0118  0.0201  58  ARG B CZ    
1324 N NH1   . ARG B 58  ? 0.3812 0.3646 0.3399 0.0508  0.0204  0.0219  58  ARG B NH1   
1325 N NH2   . ARG B 58  ? 0.4352 0.4465 0.3937 0.0548  0.0055  0.0228  58  ARG B NH2   
1326 N N     . TYR B 59  ? 0.1474 0.1609 0.1299 0.0089  0.0230  -0.0040 59  TYR B N     
1327 C CA    . TYR B 59  ? 0.1701 0.1739 0.1452 -0.0014 0.0223  -0.0042 59  TYR B CA    
1328 C C     . TYR B 59  ? 0.2246 0.2112 0.1930 0.0001  0.0246  -0.0007 59  TYR B C     
1329 O O     . TYR B 59  ? 0.2099 0.1853 0.1764 0.0069  0.0295  0.0005  59  TYR B O     
1330 C CB    . TYR B 59  ? 0.2148 0.2154 0.1869 -0.0093 0.0261  -0.0094 59  TYR B CB    
1331 C CG    . TYR B 59  ? 0.1620 0.1769 0.1397 -0.0115 0.0270  -0.0125 59  TYR B CG    
1332 C CD1   . TYR B 59  ? 0.1434 0.1653 0.1208 -0.0192 0.0235  -0.0123 59  TYR B CD1   
1333 C CD2   . TYR B 59  ? 0.1804 0.2011 0.1641 -0.0057 0.0327  -0.0154 59  TYR B CD2   
1334 C CE1   . TYR B 59  ? 0.1392 0.1726 0.1219 -0.0227 0.0261  -0.0146 59  TYR B CE1   
1335 C CE2   . TYR B 59  ? 0.1774 0.2129 0.1682 -0.0087 0.0353  -0.0181 59  TYR B CE2   
1336 C CZ    . TYR B 59  ? 0.1603 0.2018 0.1505 -0.0180 0.0322  -0.0176 59  TYR B CZ    
1337 O OH    . TYR B 59  ? 0.1561 0.2109 0.1535 -0.0223 0.0365  -0.0199 59  TYR B OH    
1338 N N     . ALA B 60  ? 0.1847 0.1687 0.1500 -0.0064 0.0220  0.0011  60  ALA B N     
1339 C CA    . ALA B 60  ? 0.2700 0.2394 0.2314 -0.0083 0.0255  0.0036  60  ALA B CA    
1340 C C     . ALA B 60  ? 0.2663 0.2245 0.2258 -0.0146 0.0299  -0.0018 60  ALA B C     
1341 O O     . ALA B 60  ? 0.2011 0.1642 0.1600 -0.0200 0.0286  -0.0071 60  ALA B O     
1342 C CB    . ALA B 60  ? 0.3332 0.3065 0.2946 -0.0138 0.0220  0.0058  60  ALA B CB    
1343 N N     . SER B 61  ? 0.2181 0.1594 0.1749 -0.0143 0.0356  -0.0006 61  SER B N     
1344 C CA    . SER B 61  ? 0.2664 0.1944 0.2202 -0.0205 0.0401  -0.0073 61  SER B CA    
1345 C C     . SER B 61  ? 0.2492 0.1832 0.2038 -0.0330 0.0357  -0.0126 61  SER B C     
1346 O O     . SER B 61  ? 0.2852 0.2156 0.2355 -0.0381 0.0361  -0.0200 61  SER B O     
1347 C CB    . SER B 61  ? 0.3693 0.2750 0.3200 -0.0191 0.0478  -0.0050 61  SER B CB    
1348 O OG    . SER B 61  ? 0.4177 0.3220 0.3711 -0.0248 0.0482  -0.0006 61  SER B OG    
1349 N N     . SER B 62  ? 0.2673 0.2117 0.2266 -0.0368 0.0312  -0.0090 62  SER B N     
1350 C CA    . SER B 62  ? 0.3314 0.2842 0.2927 -0.0465 0.0259  -0.0132 62  SER B CA    
1351 C C     . SER B 62  ? 0.2494 0.2125 0.2059 -0.0469 0.0206  -0.0163 62  SER B C     
1352 O O     . SER B 62  ? 0.1926 0.1600 0.1467 -0.0538 0.0162  -0.0207 62  SER B O     
1353 C CB    . SER B 62  ? 0.3580 0.3204 0.3266 -0.0481 0.0233  -0.0080 62  SER B CB    
1354 O OG    . SER B 62  ? 0.3697 0.3407 0.3376 -0.0406 0.0206  -0.0027 62  SER B OG    
1355 N N     . VAL B 63  ? 0.2125 0.1799 0.1675 -0.0400 0.0211  -0.0140 63  VAL B N     
1356 C CA    . VAL B 63  ? 0.2545 0.2301 0.2048 -0.0411 0.0183  -0.0159 63  VAL B CA    
1357 C C     . VAL B 63  ? 0.2539 0.2262 0.2005 -0.0378 0.0237  -0.0197 63  VAL B C     
1358 O O     . VAL B 63  ? 0.2060 0.1840 0.1481 -0.0393 0.0236  -0.0213 63  VAL B O     
1359 C CB    . VAL B 63  ? 0.1818 0.1680 0.1353 -0.0383 0.0144  -0.0107 63  VAL B CB    
1360 C CG1   . VAL B 63  ? 0.2313 0.2204 0.1886 -0.0395 0.0106  -0.0069 63  VAL B CG1   
1361 C CG2   . VAL B 63  ? 0.1854 0.1746 0.1435 -0.0310 0.0168  -0.0083 63  VAL B CG2   
1362 N N     . GLU B 64  ? 0.2121 0.1751 0.1604 -0.0327 0.0294  -0.0207 64  GLU B N     
1363 C CA    . GLU B 64  ? 0.2540 0.2153 0.2006 -0.0274 0.0354  -0.0242 64  GLU B CA    
1364 C C     . GLU B 64  ? 0.2845 0.2411 0.2203 -0.0336 0.0372  -0.0315 64  GLU B C     
1365 O O     . GLU B 64  ? 0.3546 0.3023 0.2838 -0.0405 0.0352  -0.0357 64  GLU B O     
1366 C CB    . GLU B 64  ? 0.3474 0.2953 0.2955 -0.0197 0.0414  -0.0238 64  GLU B CB    
1367 N N     . GLY B 65  ? 0.3646 0.3279 0.2983 -0.0312 0.0412  -0.0335 65  GLY B N     
1368 C CA    . GLY B 65  ? 0.3691 0.3283 0.2893 -0.0360 0.0438  -0.0398 65  GLY B CA    
1369 C C     . GLY B 65  ? 0.3943 0.3604 0.3067 -0.0432 0.0376  -0.0380 65  GLY B C     
1370 O O     . GLY B 65  ? 0.3804 0.3454 0.2798 -0.0457 0.0403  -0.0414 65  GLY B O     
1371 N N     . ARG B 66  ? 0.2431 0.2150 0.1613 -0.0453 0.0300  -0.0324 66  ARG B N     
1372 C CA    . ARG B 66  ? 0.2016 0.1788 0.1126 -0.0499 0.0240  -0.0294 66  ARG B CA    
1373 C C     . ARG B 66  ? 0.2224 0.2087 0.1401 -0.0483 0.0236  -0.0229 66  ARG B C     
1374 O O     . ARG B 66  ? 0.1684 0.1559 0.0773 -0.0510 0.0231  -0.0206 66  ARG B O     
1375 C CB    . ARG B 66  ? 0.2334 0.2105 0.1460 -0.0535 0.0156  -0.0286 66  ARG B CB    
1376 C CG    . ARG B 66  ? 0.2566 0.2256 0.1630 -0.0581 0.0147  -0.0364 66  ARG B CG    
1377 C CD    . ARG B 66  ? 0.2290 0.2030 0.1401 -0.0629 0.0061  -0.0361 66  ARG B CD    
1378 N NE    . ARG B 66  ? 0.2951 0.2725 0.2218 -0.0607 0.0060  -0.0306 66  ARG B NE    
1379 C CZ    . ARG B 66  ? 0.2293 0.2165 0.1624 -0.0592 0.0010  -0.0244 66  ARG B CZ    
1380 N NH1   . ARG B 66  ? 0.2144 0.2033 0.1593 -0.0569 0.0023  -0.0199 66  ARG B NH1   
1381 N NH2   . ARG B 66  ? 0.2715 0.2651 0.1972 -0.0591 -0.0048 -0.0223 66  ARG B NH2   
1382 N N     . PHE B 67  ? 0.1622 0.1534 0.0936 -0.0442 0.0238  -0.0200 67  PHE B N     
1383 C CA    . PHE B 67  ? 0.1715 0.1712 0.1100 -0.0435 0.0229  -0.0156 67  PHE B CA    
1384 C C     . PHE B 67  ? 0.1491 0.1567 0.0963 -0.0405 0.0294  -0.0174 67  PHE B C     
1385 O O     . PHE B 67  ? 0.1869 0.1944 0.1398 -0.0348 0.0325  -0.0197 67  PHE B O     
1386 C CB    . PHE B 67  ? 0.1306 0.1325 0.0776 -0.0407 0.0176  -0.0119 67  PHE B CB    
1387 C CG    . PHE B 67  ? 0.1977 0.1960 0.1403 -0.0430 0.0116  -0.0095 67  PHE B CG    
1388 C CD1   . PHE B 67  ? 0.1971 0.1915 0.1301 -0.0467 0.0096  -0.0113 67  PHE B CD1   
1389 C CD2   . PHE B 67  ? 0.1741 0.1745 0.1222 -0.0406 0.0079  -0.0058 67  PHE B CD2   
1390 C CE1   . PHE B 67  ? 0.1927 0.1881 0.1249 -0.0478 0.0034  -0.0091 67  PHE B CE1   
1391 C CE2   . PHE B 67  ? 0.1735 0.1731 0.1201 -0.0414 0.0034  -0.0036 67  PHE B CE2   
1392 C CZ    . PHE B 67  ? 0.1829 0.1813 0.1230 -0.0449 0.0009  -0.0051 67  PHE B CZ    
1393 N N     . THR B 68  ? 0.1417 0.1563 0.0907 -0.0439 0.0318  -0.0162 68  THR B N     
1394 C CA    A THR B 68  ? 0.2144 0.2414 0.1753 -0.0423 0.0381  -0.0182 68  THR B CA    
1395 C CA    B THR B 68  ? 0.2073 0.2344 0.1686 -0.0420 0.0379  -0.0181 68  THR B CA    
1396 C C     . THR B 68  ? 0.2252 0.2622 0.1962 -0.0460 0.0354  -0.0160 68  THR B C     
1397 O O     . THR B 68  ? 0.1592 0.1897 0.1224 -0.0521 0.0336  -0.0132 68  THR B O     
1398 C CB    A THR B 68  ? 0.1969 0.2232 0.1499 -0.0456 0.0474  -0.0207 68  THR B CB    
1399 C CB    B THR B 68  ? 0.2036 0.2304 0.1582 -0.0442 0.0474  -0.0212 68  THR B CB    
1400 O OG1   A THR B 68  ? 0.2540 0.2694 0.1952 -0.0428 0.0497  -0.0244 68  THR B OG1   
1401 O OG1   B THR B 68  ? 0.2254 0.2446 0.1652 -0.0515 0.0481  -0.0186 68  THR B OG1   
1402 C CG2   A THR B 68  ? 0.1543 0.1973 0.1236 -0.0438 0.0549  -0.0229 68  THR B CG2   
1403 C CG2   B THR B 68  ? 0.2513 0.2681 0.1971 -0.0397 0.0503  -0.0255 68  THR B CG2   
1404 N N     . LEU B 69  ? 0.1275 0.1793 0.1151 -0.0419 0.0349  -0.0175 69  LEU B N     
1405 C CA    . LEU B 69  ? 0.1396 0.2034 0.1387 -0.0463 0.0319  -0.0176 69  LEU B CA    
1406 C C     . LEU B 69  ? 0.1512 0.2299 0.1622 -0.0513 0.0401  -0.0204 69  LEU B C     
1407 O O     . LEU B 69  ? 0.1621 0.2495 0.1797 -0.0463 0.0466  -0.0228 69  LEU B O     
1408 C CB    . LEU B 69  ? 0.1541 0.2281 0.1642 -0.0387 0.0245  -0.0181 69  LEU B CB    
1409 C CG    . LEU B 69  ? 0.1380 0.1999 0.1385 -0.0360 0.0169  -0.0150 69  LEU B CG    
1410 C CD1   . LEU B 69  ? 0.1879 0.2564 0.1942 -0.0254 0.0121  -0.0144 69  LEU B CD1   
1411 C CD2   . LEU B 69  ? 0.1374 0.1970 0.1357 -0.0437 0.0129  -0.0149 69  LEU B CD2   
1412 N N     . SER B 70  ? 0.1558 0.2371 0.1701 -0.0612 0.0408  -0.0203 70  SER B N     
1413 C CA    . SER B 70  ? 0.1340 0.2332 0.1646 -0.0679 0.0485  -0.0233 70  SER B CA    
1414 C C     . SER B 70  ? 0.1341 0.2379 0.1733 -0.0776 0.0440  -0.0247 70  SER B C     
1415 O O     . SER B 70  ? 0.1643 0.2533 0.1925 -0.0789 0.0368  -0.0229 70  SER B O     
1416 C CB    . SER B 70  ? 0.1699 0.2606 0.1894 -0.0739 0.0609  -0.0217 70  SER B CB    
1417 O OG    . SER B 70  ? 0.2055 0.2757 0.2070 -0.0818 0.0608  -0.0173 70  SER B OG    
1418 N N     . ARG B 71  ? 0.1363 0.2614 0.1961 -0.0846 0.0488  -0.0288 71  ARG B N     
1419 C CA    . ARG B 71  ? 0.2498 0.3791 0.3191 -0.0950 0.0445  -0.0318 71  ARG B CA    
1420 C C     . ARG B 71  ? 0.2605 0.3883 0.3342 -0.1033 0.0542  -0.0312 71  ARG B C     
1421 O O     . ARG B 71  ? 0.2543 0.3943 0.3368 -0.1009 0.0628  -0.0313 71  ARG B O     
1422 C CB    . ARG B 71  ? 0.2552 0.4107 0.3457 -0.0908 0.0338  -0.0378 71  ARG B CB    
1423 C CG    . ARG B 71  ? 0.2968 0.4818 0.4101 -0.0836 0.0363  -0.0408 71  ARG B CG    
1424 C CD    . ARG B 71  ? 0.3865 0.5948 0.5153 -0.0757 0.0228  -0.0452 71  ARG B CD    
1425 N NE    . ARG B 71  ? 0.3766 0.5795 0.5035 -0.0836 0.0134  -0.0484 71  ARG B NE    
1426 C CZ    . ARG B 71  ? 0.4163 0.6156 0.5346 -0.0791 0.0013  -0.0497 71  ARG B CZ    
1427 N NH1   . ARG B 71  ? 0.3230 0.5177 0.4310 -0.0643 -0.0032 -0.0457 71  ARG B NH1   
1428 N NH2   . ARG B 71  ? 0.4991 0.6911 0.6140 -0.0863 -0.0056 -0.0534 71  ARG B NH2   
1429 N N     . ASP B 72  ? 0.2260 0.3378 0.2931 -0.1125 0.0536  -0.0305 72  ASP B N     
1430 C CA    . ASP B 72  ? 0.3954 0.5010 0.4634 -0.1213 0.0637  -0.0287 72  ASP B CA    
1431 C C     . ASP B 72  ? 0.5953 0.7287 0.6920 -0.1261 0.0639  -0.0345 72  ASP B C     
1432 O O     . ASP B 72  ? 0.5906 0.7334 0.6991 -0.1294 0.0547  -0.0398 72  ASP B O     
1433 C CB    . ASP B 72  ? 0.3649 0.4418 0.4152 -0.1286 0.0636  -0.0255 72  ASP B CB    
1434 C CG    . ASP B 72  ? 0.3869 0.4527 0.4331 -0.1367 0.0753  -0.0217 72  ASP B CG    
1435 O OD1   . ASP B 72  ? 0.2858 0.3677 0.3522 -0.1442 0.0793  -0.0253 72  ASP B OD1   
1436 O OD2   . ASP B 72  ? 0.4903 0.5320 0.5131 -0.1350 0.0804  -0.0149 72  ASP B OD2   
1437 N N     . ASN B 73  ? 0.7325 0.8799 0.8403 -0.1258 0.0741  -0.0337 73  ASN B N     
1438 C CA    . ASN B 73  ? 0.8434 1.0215 0.9811 -0.1287 0.0746  -0.0388 73  ASN B CA    
1439 C C     . ASN B 73  ? 0.9130 1.0884 1.0589 -0.1426 0.0739  -0.0414 73  ASN B C     
1440 O O     . ASN B 73  ? 0.9749 1.1743 1.1444 -0.1456 0.0671  -0.0476 73  ASN B O     
1441 C CB    . ASN B 73  ? 0.8456 1.0358 0.9911 -0.1260 0.0879  -0.0365 73  ASN B CB    
1442 N N     . ALA B 74  ? 0.8920 1.0384 1.0188 -0.1508 0.0806  -0.0367 74  ALA B N     
1443 C CA    . ALA B 74  ? 0.8678 1.0090 1.0018 -0.1645 0.0813  -0.0393 74  ALA B CA    
1444 C C     . ALA B 74  ? 0.8147 0.9473 0.9449 -0.1665 0.0681  -0.0442 74  ALA B C     
1445 O O     . ALA B 74  ? 0.8796 1.0228 1.0262 -0.1756 0.0638  -0.0504 74  ALA B O     
1446 C CB    . ALA B 74  ? 0.8785 0.9901 0.9923 -0.1715 0.0938  -0.0319 74  ALA B CB    
1447 N N     . LYS B 75  ? 0.6705 0.7849 0.7797 -0.1584 0.0615  -0.0420 75  LYS B N     
1448 C CA    . LYS B 75  ? 0.5817 0.6868 0.6855 -0.1593 0.0498  -0.0466 75  LYS B CA    
1449 C C     . LYS B 75  ? 0.6791 0.7989 0.7847 -0.1476 0.0377  -0.0495 75  LYS B C     
1450 O O     . LYS B 75  ? 0.7712 0.9146 0.8893 -0.1398 0.0371  -0.0498 75  LYS B O     
1451 C CB    . LYS B 75  ? 0.5410 0.6078 0.6171 -0.1612 0.0529  -0.0412 75  LYS B CB    
1452 C CG    . LYS B 75  ? 0.5363 0.5865 0.5911 -0.1530 0.0587  -0.0326 75  LYS B CG    
1453 C CD    . LYS B 75  ? 0.5191 0.5334 0.5493 -0.1559 0.0643  -0.0261 75  LYS B CD    
1454 C CE    . LYS B 75  ? 0.4841 0.4845 0.4936 -0.1476 0.0695  -0.0174 75  LYS B CE    
1455 N NZ    . LYS B 75  ? 0.5403 0.5068 0.5250 -0.1481 0.0740  -0.0101 75  LYS B NZ    
1456 N N     . ASN B 76  ? 0.5832 0.6877 0.6755 -0.1457 0.0286  -0.0514 76  ASN B N     
1457 C CA    . ASN B 76  ? 0.4910 0.6062 0.5822 -0.1351 0.0166  -0.0541 76  ASN B CA    
1458 C C     . ASN B 76  ? 0.4238 0.5146 0.4903 -0.1282 0.0166  -0.0481 76  ASN B C     
1459 O O     . ASN B 76  ? 0.4624 0.5402 0.5168 -0.1257 0.0090  -0.0499 76  ASN B O     
1460 C CB    . ASN B 76  ? 0.4976 0.6181 0.5942 -0.1379 0.0049  -0.0621 76  ASN B CB    
1461 C CG    . ASN B 76  ? 0.5214 0.6618 0.6220 -0.1260 -0.0077 -0.0652 76  ASN B CG    
1462 O OD1   . ASN B 76  ? 0.5372 0.6927 0.6425 -0.1165 -0.0073 -0.0620 76  ASN B OD1   
1463 N ND2   . ASN B 76  ? 0.6045 0.7441 0.7019 -0.1260 -0.0187 -0.0713 76  ASN B ND2   
1464 N N     . THR B 77  ? 0.2446 0.3290 0.3032 -0.1251 0.0253  -0.0413 77  THR B N     
1465 C CA    . THR B 77  ? 0.2929 0.3546 0.3287 -0.1196 0.0259  -0.0350 77  THR B CA    
1466 C C     . THR B 77  ? 0.2072 0.2813 0.2442 -0.1109 0.0271  -0.0321 77  THR B C     
1467 O O     . THR B 77  ? 0.2600 0.3484 0.3075 -0.1106 0.0341  -0.0317 77  THR B O     
1468 C CB    . THR B 77  ? 0.3519 0.3862 0.3706 -0.1247 0.0355  -0.0286 77  THR B CB    
1469 O OG1   . THR B 77  ? 0.3293 0.3488 0.3456 -0.1325 0.0351  -0.0312 77  THR B OG1   
1470 C CG2   . THR B 77  ? 0.3241 0.3381 0.3204 -0.1178 0.0351  -0.0217 77  THR B CG2   
1471 N N     . VAL B 78  ? 0.1820 0.2488 0.2072 -0.1028 0.0207  -0.0299 78  VAL B N     
1472 C CA    . VAL B 78  ? 0.1570 0.2286 0.1793 -0.0905 0.0209  -0.0261 78  VAL B CA    
1473 C C     . VAL B 78  ? 0.1995 0.2464 0.1996 -0.0870 0.0235  -0.0192 78  VAL B C     
1474 O O     . VAL B 78  ? 0.1730 0.2015 0.1598 -0.0873 0.0201  -0.0170 78  VAL B O     
1475 C CB    . VAL B 78  ? 0.2180 0.3011 0.2450 -0.0790 0.0106  -0.0282 78  VAL B CB    
1476 C CG1   . VAL B 78  ? 0.2324 0.3117 0.2520 -0.0672 0.0115  -0.0236 78  VAL B CG1   
1477 C CG2   . VAL B 78  ? 0.2391 0.3512 0.2890 -0.0800 0.0071  -0.0347 78  VAL B CG2   
1478 N N     . TYR B 79  ? 0.1430 0.1904 0.1388 -0.0829 0.0292  -0.0163 79  TYR B N     
1479 C CA    . TYR B 79  ? 0.1486 0.1764 0.1241 -0.0799 0.0307  -0.0106 79  TYR B CA    
1480 C C     . TYR B 79  ? 0.1380 0.1682 0.1111 -0.0694 0.0267  -0.0102 79  TYR B C     
1481 O O     . TYR B 79  ? 0.1573 0.2009 0.1406 -0.0652 0.0286  -0.0129 79  TYR B O     
1482 C CB    . TYR B 79  ? 0.1624 0.1845 0.1297 -0.0858 0.0413  -0.0080 79  TYR B CB    
1483 C CG    . TYR B 79  ? 0.2065 0.2255 0.1771 -0.0979 0.0484  -0.0079 79  TYR B CG    
1484 C CD1   . TYR B 79  ? 0.2396 0.2363 0.1960 -0.1008 0.0475  -0.0039 79  TYR B CD1   
1485 C CD2   . TYR B 79  ? 0.2760 0.3126 0.2646 -0.1018 0.0543  -0.0120 79  TYR B CD2   
1486 C CE1   . TYR B 79  ? 0.2208 0.2111 0.1800 -0.1082 0.0528  -0.0041 79  TYR B CE1   
1487 C CE2   . TYR B 79  ? 0.2955 0.3279 0.2883 -0.1098 0.0591  -0.0122 79  TYR B CE2   
1488 C CZ    . TYR B 79  ? 0.2961 0.3046 0.2738 -0.1134 0.0586  -0.0083 79  TYR B CZ    
1489 O OH    . TYR B 79  ? 0.3475 0.3501 0.3291 -0.1219 0.0644  -0.0084 79  TYR B OH    
1490 N N     . LEU B 80  ? 0.1449 0.1617 0.1052 -0.0652 0.0218  -0.0068 80  LEU B N     
1491 C CA    . LEU B 80  ? 0.1771 0.1930 0.1336 -0.0577 0.0191  -0.0062 80  LEU B CA    
1492 C C     . LEU B 80  ? 0.2167 0.2215 0.1576 -0.0592 0.0217  -0.0035 80  LEU B C     
1493 O O     . LEU B 80  ? 0.1512 0.1452 0.0813 -0.0592 0.0184  0.0003  80  LEU B O     
1494 C CB    . LEU B 80  ? 0.1242 0.1369 0.0805 -0.0524 0.0117  -0.0049 80  LEU B CB    
1495 C CG    . LEU B 80  ? 0.1441 0.1549 0.0978 -0.0467 0.0099  -0.0042 80  LEU B CG    
1496 C CD1   . LEU B 80  ? 0.1849 0.2038 0.1466 -0.0432 0.0130  -0.0071 80  LEU B CD1   
1497 C CD2   . LEU B 80  ? 0.1422 0.1504 0.0960 -0.0423 0.0047  -0.0023 80  LEU B CD2   
1498 N N     . GLN B 81  ? 0.1466 0.1544 0.0854 -0.0595 0.0274  -0.0056 81  GLN B N     
1499 C CA    . GLN B 81  ? 0.1595 0.1577 0.0808 -0.0603 0.0292  -0.0041 81  GLN B CA    
1500 C C     . GLN B 81  ? 0.1900 0.1858 0.1080 -0.0556 0.0230  -0.0054 81  GLN B C     
1501 O O     . GLN B 81  ? 0.1941 0.1944 0.1198 -0.0525 0.0237  -0.0093 81  GLN B O     
1502 C CB    . GLN B 81  ? 0.1693 0.1710 0.0883 -0.0625 0.0389  -0.0070 81  GLN B CB    
1503 C CG    . GLN B 81  ? 0.1878 0.1787 0.0843 -0.0636 0.0413  -0.0057 81  GLN B CG    
1504 C CD    . GLN B 81  ? 0.2526 0.2330 0.1364 -0.0671 0.0418  0.0008  81  GLN B CD    
1505 O OE1   . GLN B 81  ? 0.2111 0.1922 0.1018 -0.0715 0.0474  0.0026  81  GLN B OE1   
1506 N NE2   . GLN B 81  ? 0.2211 0.1919 0.0901 -0.0637 0.0346  0.0041  81  GLN B NE2   
1507 N N     . MET B 82  ? 0.1698 0.1587 0.0771 -0.0551 0.0171  -0.0022 82  MET B N     
1508 C CA    . MET B 82  ? 0.2018 0.1912 0.1096 -0.0523 0.0105  -0.0036 82  MET B CA    
1509 C C     . MET B 82  ? 0.1905 0.1757 0.0820 -0.0535 0.0085  -0.0048 82  MET B C     
1510 O O     . MET B 82  ? 0.1860 0.1675 0.0667 -0.0527 0.0041  -0.0005 82  MET B O     
1511 C CB    . MET B 82  ? 0.2001 0.1898 0.1130 -0.0495 0.0042  0.0004  82  MET B CB    
1512 C CG    . MET B 82  ? 0.2345 0.2278 0.1602 -0.0480 0.0052  0.0006  82  MET B CG    
1513 S SD    . MET B 82  ? 0.2506 0.2404 0.1770 -0.0447 0.0001  0.0050  82  MET B SD    
1514 C CE    . MET B 82  ? 0.2288 0.2226 0.1565 -0.0415 -0.0054 0.0056  82  MET B CE    
1515 N N     . ASN B 83  ? 0.2220 0.2069 0.1105 -0.0546 0.0114  -0.0108 83  ASN B N     
1516 C CA    . ASN B 83  ? 0.2373 0.2179 0.1079 -0.0563 0.0096  -0.0138 83  ASN B CA    
1517 C C     . ASN B 83  ? 0.2085 0.1913 0.0818 -0.0573 0.0024  -0.0189 83  ASN B C     
1518 O O     . ASN B 83  ? 0.1913 0.1769 0.0802 -0.0570 0.0019  -0.0204 83  ASN B O     
1519 C CB    . ASN B 83  ? 0.2072 0.1841 0.0690 -0.0576 0.0193  -0.0183 83  ASN B CB    
1520 C CG    . ASN B 83  ? 0.2101 0.1867 0.0708 -0.0582 0.0272  -0.0133 83  ASN B CG    
1521 O OD1   . ASN B 83  ? 0.3213 0.2959 0.1809 -0.0583 0.0247  -0.0066 83  ASN B OD1   
1522 N ND2   . ASN B 83  ? 0.2584 0.2365 0.1207 -0.0584 0.0373  -0.0168 83  ASN B ND2   
1523 N N     . SER B 84  ? 0.3048 0.2868 0.1644 -0.0580 -0.0030 -0.0211 84  SER B N     
1524 C CA    . SER B 84  ? 0.3409 0.3265 0.2037 -0.0606 -0.0102 -0.0274 84  SER B CA    
1525 C C     . SER B 84  ? 0.2860 0.2801 0.1653 -0.0615 -0.0162 -0.0253 84  SER B C     
1526 O O     . SER B 84  ? 0.2255 0.2205 0.1176 -0.0646 -0.0156 -0.0298 84  SER B O     
1527 C CB    . SER B 84  ? 0.4891 0.4674 0.3511 -0.0639 -0.0041 -0.0366 84  SER B CB    
1528 O OG    . SER B 84  ? 0.5528 0.5246 0.4000 -0.0621 0.0018  -0.0385 84  SER B OG    
1529 N N     . LEU B 85  ? 0.2203 0.2193 0.1012 -0.0572 -0.0205 -0.0174 85  LEU B N     
1530 C CA    . LEU B 85  ? 0.2246 0.2317 0.1240 -0.0552 -0.0235 -0.0138 85  LEU B CA    
1531 C C     . LEU B 85  ? 0.1909 0.2094 0.0991 -0.0585 -0.0316 -0.0183 85  LEU B C     
1532 O O     . LEU B 85  ? 0.2054 0.2282 0.1044 -0.0600 -0.0385 -0.0221 85  LEU B O     
1533 C CB    . LEU B 85  ? 0.1744 0.1816 0.0710 -0.0490 -0.0256 -0.0050 85  LEU B CB    
1534 C CG    . LEU B 85  ? 0.1842 0.1820 0.0788 -0.0477 -0.0174 -0.0012 85  LEU B CG    
1535 C CD1   . LEU B 85  ? 0.2792 0.2718 0.1651 -0.0431 -0.0189 0.0065  85  LEU B CD1   
1536 C CD2   . LEU B 85  ? 0.2503 0.2499 0.1617 -0.0473 -0.0133 -0.0016 85  LEU B CD2   
1537 N N     . LYS B 86  ? 0.1719 0.1959 0.0992 -0.0593 -0.0302 -0.0178 86  LYS B N     
1538 C CA    . LYS B 86  ? 0.2170 0.2540 0.1592 -0.0637 -0.0354 -0.0214 86  LYS B CA    
1539 C C     . LYS B 86  ? 0.1758 0.2241 0.1319 -0.0578 -0.0374 -0.0145 86  LYS B C     
1540 O O     . LYS B 86  ? 0.1461 0.1880 0.1020 -0.0520 -0.0323 -0.0084 86  LYS B O     
1541 C CB    . LYS B 86  ? 0.2042 0.2351 0.1570 -0.0705 -0.0286 -0.0268 86  LYS B CB    
1542 C CG    . LYS B 86  ? 0.2897 0.3058 0.2307 -0.0750 -0.0238 -0.0340 86  LYS B CG    
1543 C CD    . LYS B 86  ? 0.3405 0.3472 0.2927 -0.0787 -0.0154 -0.0360 86  LYS B CD    
1544 C CE    . LYS B 86  ? 0.4458 0.4345 0.3872 -0.0783 -0.0074 -0.0401 86  LYS B CE    
1545 N NZ    . LYS B 86  ? 0.5018 0.4826 0.4369 -0.0868 -0.0080 -0.0511 86  LYS B NZ    
1546 N N     . PRO B 87  ? 0.1945 0.2605 0.1635 -0.0592 -0.0445 -0.0159 87  PRO B N     
1547 C CA    . PRO B 87  ? 0.1865 0.2640 0.1703 -0.0525 -0.0445 -0.0095 87  PRO B CA    
1548 C C     . PRO B 87  ? 0.2124 0.2828 0.2062 -0.0525 -0.0340 -0.0069 87  PRO B C     
1549 O O     . PRO B 87  ? 0.1863 0.2574 0.1834 -0.0448 -0.0314 -0.0008 87  PRO B O     
1550 C CB    . PRO B 87  ? 0.2440 0.3450 0.2442 -0.0563 -0.0529 -0.0137 87  PRO B CB    
1551 C CG    . PRO B 87  ? 0.2930 0.3944 0.2786 -0.0612 -0.0616 -0.0203 87  PRO B CG    
1552 C CD    . PRO B 87  ? 0.2570 0.3354 0.2274 -0.0661 -0.0535 -0.0237 87  PRO B CD    
1553 N N     . GLU B 88  ? 0.1626 0.2242 0.1588 -0.0601 -0.0276 -0.0113 88  GLU B N     
1554 C CA    . GLU B 88  ? 0.1965 0.2491 0.1979 -0.0586 -0.0178 -0.0078 88  GLU B CA    
1555 C C     . GLU B 88  ? 0.1824 0.2221 0.1709 -0.0512 -0.0144 -0.0032 88  GLU B C     
1556 O O     . GLU B 88  ? 0.2026 0.2368 0.1934 -0.0478 -0.0081 0.0003  88  GLU B O     
1557 C CB    . GLU B 88  ? 0.3326 0.3753 0.3367 -0.0671 -0.0117 -0.0128 88  GLU B CB    
1558 C CG    . GLU B 88  ? 0.5810 0.6086 0.5698 -0.0689 -0.0108 -0.0172 88  GLU B CG    
1559 C CD    . GLU B 88  ? 0.7769 0.7924 0.7679 -0.0767 -0.0046 -0.0228 88  GLU B CD    
1560 O OE1   . GLU B 88  ? 0.8392 0.8609 0.8399 -0.0859 -0.0064 -0.0282 88  GLU B OE1   
1561 O OE2   . GLU B 88  ? 0.8161 0.8156 0.7994 -0.0736 0.0022  -0.0219 88  GLU B OE2   
1562 N N     . ASP B 89  ? 0.1303 0.1655 0.1052 -0.0491 -0.0183 -0.0034 89  ASP B N     
1563 C CA    . ASP B 89  ? 0.1206 0.1459 0.0859 -0.0438 -0.0153 0.0003  89  ASP B CA    
1564 C C     . ASP B 89  ? 0.1184 0.1464 0.0834 -0.0368 -0.0175 0.0057  89  ASP B C     
1565 O O     . ASP B 89  ? 0.1628 0.1824 0.1213 -0.0335 -0.0150 0.0080  89  ASP B O     
1566 C CB    . ASP B 89  ? 0.1800 0.1981 0.1312 -0.0457 -0.0161 -0.0019 89  ASP B CB    
1567 C CG    . ASP B 89  ? 0.2180 0.2300 0.1675 -0.0508 -0.0120 -0.0076 89  ASP B CG    
1568 O OD1   . ASP B 89  ? 0.1581 0.1658 0.1140 -0.0505 -0.0065 -0.0077 89  ASP B OD1   
1569 O OD2   . ASP B 89  ? 0.2187 0.2289 0.1586 -0.0543 -0.0141 -0.0119 89  ASP B OD2   
1570 N N     . THR B 90  ? 0.1476 0.1874 0.1204 -0.0344 -0.0220 0.0071  90  THR B N     
1571 C CA    . THR B 90  ? 0.1201 0.1608 0.0924 -0.0259 -0.0231 0.0121  90  THR B CA    
1572 C C     . THR B 90  ? 0.1340 0.1698 0.1102 -0.0229 -0.0163 0.0137  90  THR B C     
1573 O O     . THR B 90  ? 0.1094 0.1507 0.0961 -0.0250 -0.0121 0.0129  90  THR B O     
1574 C CB    . THR B 90  ? 0.1227 0.1806 0.1060 -0.0226 -0.0289 0.0131  90  THR B CB    
1575 O OG1   . THR B 90  ? 0.1439 0.2057 0.1194 -0.0242 -0.0369 0.0117  90  THR B OG1   
1576 C CG2   . THR B 90  ? 0.1256 0.1832 0.1089 -0.0118 -0.0287 0.0183  90  THR B CG2   
1577 N N     . ALA B 91  ? 0.1167 0.1409 0.0830 -0.0185 -0.0148 0.0158  91  ALA B N     
1578 C CA    . ALA B 91  ? 0.1140 0.1328 0.0803 -0.0155 -0.0095 0.0162  91  ALA B CA    
1579 C C     . ALA B 91  ? 0.1210 0.1269 0.0757 -0.0119 -0.0096 0.0171  91  ALA B C     
1580 O O     . ALA B 91  ? 0.1543 0.1533 0.1007 -0.0133 -0.0121 0.0177  91  ALA B O     
1581 C CB    . ALA B 91  ? 0.1091 0.1250 0.0758 -0.0204 -0.0059 0.0139  91  ALA B CB    
1582 N N     . VAL B 92  ? 0.1265 0.1278 0.0793 -0.0078 -0.0062 0.0168  92  VAL B N     
1583 C CA    . VAL B 92  ? 0.1588 0.1466 0.1007 -0.0073 -0.0058 0.0151  92  VAL B CA    
1584 C C     . VAL B 92  ? 0.1251 0.1125 0.0660 -0.0132 -0.0055 0.0120  92  VAL B C     
1585 O O     . VAL B 92  ? 0.1730 0.1656 0.1176 -0.0125 -0.0036 0.0115  92  VAL B O     
1586 C CB    . VAL B 92  ? 0.2019 0.1849 0.1403 -0.0001 -0.0029 0.0147  92  VAL B CB    
1587 C CG1   . VAL B 92  ? 0.1880 0.1562 0.1148 -0.0014 -0.0033 0.0111  92  VAL B CG1   
1588 C CG2   . VAL B 92  ? 0.1704 0.1562 0.1123 0.0077  -0.0025 0.0180  92  VAL B CG2   
1589 N N     . TYR B 93  ? 0.1284 0.1099 0.0646 -0.0183 -0.0067 0.0104  93  TYR B N     
1590 C CA    . TYR B 93  ? 0.1242 0.1085 0.0620 -0.0234 -0.0064 0.0072  93  TYR B CA    
1591 C C     . TYR B 93  ? 0.1313 0.1098 0.0646 -0.0246 -0.0071 0.0034  93  TYR B C     
1592 O O     . TYR B 93  ? 0.1853 0.1528 0.1123 -0.0262 -0.0070 0.0029  93  TYR B O     
1593 C CB    . TYR B 93  ? 0.1617 0.1465 0.0994 -0.0293 -0.0061 0.0072  93  TYR B CB    
1594 C CG    . TYR B 93  ? 0.1183 0.1100 0.0601 -0.0295 -0.0061 0.0084  93  TYR B CG    
1595 C CD1   . TYR B 93  ? 0.1527 0.1457 0.0939 -0.0273 -0.0082 0.0111  93  TYR B CD1   
1596 C CD2   . TYR B 93  ? 0.1371 0.1341 0.0835 -0.0318 -0.0044 0.0062  93  TYR B CD2   
1597 C CE1   . TYR B 93  ? 0.1173 0.1174 0.0628 -0.0292 -0.0091 0.0105  93  TYR B CE1   
1598 C CE2   . TYR B 93  ? 0.1675 0.1679 0.1165 -0.0331 -0.0040 0.0059  93  TYR B CE2   
1599 C CZ    . TYR B 93  ? 0.1134 0.1155 0.0619 -0.0328 -0.0067 0.0075  93  TYR B CZ    
1600 O OH    . TYR B 93  ? 0.1137 0.1198 0.0653 -0.0357 -0.0071 0.0056  93  TYR B OH    
1601 N N     . TYR B 94  ? 0.1280 0.1130 0.0638 -0.0240 -0.0081 0.0007  94  TYR B N     
1602 C CA    . TYR B 94  ? 0.1353 0.1189 0.0680 -0.0258 -0.0105 -0.0045 94  TYR B CA    
1603 C C     . TYR B 94  ? 0.1305 0.1253 0.0714 -0.0306 -0.0120 -0.0075 94  TYR B C     
1604 O O     . TYR B 94  ? 0.1220 0.1252 0.0689 -0.0289 -0.0109 -0.0055 94  TYR B O     
1605 C CB    . TYR B 94  ? 0.1390 0.1236 0.0663 -0.0188 -0.0118 -0.0053 94  TYR B CB    
1606 C CG    . TYR B 94  ? 0.1640 0.1401 0.0847 -0.0128 -0.0091 -0.0029 94  TYR B CG    
1607 C CD1   . TYR B 94  ? 0.1579 0.1382 0.0827 -0.0083 -0.0056 0.0025  94  TYR B CD1   
1608 C CD2   . TYR B 94  ? 0.1588 0.1229 0.0702 -0.0117 -0.0093 -0.0063 94  TYR B CD2   
1609 C CE1   . TYR B 94  ? 0.2000 0.1764 0.1220 -0.0024 -0.0025 0.0047  94  TYR B CE1   
1610 C CE2   . TYR B 94  ? 0.1656 0.1227 0.0716 -0.0044 -0.0058 -0.0041 94  TYR B CE2   
1611 C CZ    . TYR B 94  ? 0.1566 0.1219 0.0692 0.0004  -0.0024 0.0017  94  TYR B CZ    
1612 O OH    . TYR B 94  ? 0.1934 0.1559 0.1043 0.0079  0.0017  0.0039  94  TYR B OH    
1613 N N     . CYS B 95  ? 0.1378 0.1328 0.0796 -0.0367 -0.0141 -0.0129 95  CYS B N     
1614 C CA    . CYS B 95  ? 0.1343 0.1449 0.0864 -0.0397 -0.0166 -0.0169 95  CYS B CA    
1615 C C     . CYS B 95  ? 0.1430 0.1577 0.0923 -0.0388 -0.0228 -0.0230 95  CYS B C     
1616 O O     . CYS B 95  ? 0.1635 0.1658 0.1028 -0.0398 -0.0238 -0.0259 95  CYS B O     
1617 C CB    . CYS B 95  ? 0.2706 0.2838 0.2306 -0.0499 -0.0134 -0.0190 95  CYS B CB    
1618 S SG    . CYS B 95  ? 0.2778 0.2744 0.2313 -0.0599 -0.0124 -0.0230 95  CYS B SG    
1619 N N     . ASN B 96  ? 0.1398 0.1719 0.0968 -0.0358 -0.0272 -0.0252 96  ASN B N     
1620 C CA    . ASN B 96  ? 0.1503 0.1899 0.1052 -0.0361 -0.0349 -0.0324 96  ASN B CA    
1621 C C     . ASN B 96  ? 0.2297 0.2928 0.2018 -0.0391 -0.0390 -0.0366 96  ASN B C     
1622 O O     . ASN B 96  ? 0.2310 0.3038 0.2138 -0.0367 -0.0355 -0.0327 96  ASN B O     
1623 C CB    . ASN B 96  ? 0.3714 0.4078 0.3120 -0.0245 -0.0383 -0.0304 96  ASN B CB    
1624 C CG    . ASN B 96  ? 0.3198 0.3689 0.2635 -0.0143 -0.0400 -0.0255 96  ASN B CG    
1625 O OD1   . ASN B 96  ? 0.3803 0.4448 0.3382 -0.0149 -0.0411 -0.0258 96  ASN B OD1   
1626 N ND2   . ASN B 96  ? 0.2501 0.2918 0.1799 -0.0042 -0.0392 -0.0206 96  ASN B ND2   
1627 N N     . LEU B 97  ? 0.2697 0.3431 0.2445 -0.0437 -0.0468 -0.0453 97  LEU B N     
1628 C CA    . LEU B 97  ? 0.2274 0.3270 0.2223 -0.0485 -0.0515 -0.0511 97  LEU B CA    
1629 C C     . LEU B 97  ? 0.2417 0.3555 0.2342 -0.0408 -0.0629 -0.0553 97  LEU B C     
1630 O O     . LEU B 97  ? 0.2662 0.3677 0.2452 -0.0415 -0.0672 -0.0594 97  LEU B O     
1631 C CB    . LEU B 97  ? 0.1962 0.2931 0.2008 -0.0650 -0.0488 -0.0578 97  LEU B CB    
1632 C CG    . LEU B 97  ? 0.2439 0.3643 0.2705 -0.0700 -0.0524 -0.0633 97  LEU B CG    
1633 C CD1   . LEU B 97  ? 0.2998 0.4430 0.3453 -0.0671 -0.0484 -0.0599 97  LEU B CD1   
1634 C CD2   . LEU B 97  ? 0.3515 0.4614 0.3833 -0.0851 -0.0486 -0.0686 97  LEU B CD2   
1635 N N     . ARG B 98  ? 0.2406 0.3767 0.2446 -0.0317 -0.0666 -0.0530 98  ARG B N     
1636 C CA    . ARG B 98  ? 0.3703 0.5198 0.3745 -0.0239 -0.0768 -0.0553 98  ARG B CA    
1637 C C     . ARG B 98  ? 0.5172 0.6872 0.5446 -0.0338 -0.0801 -0.0625 98  ARG B C     
1638 O O     . ARG B 98  ? 0.5494 0.7359 0.5975 -0.0366 -0.0753 -0.0620 98  ARG B O     
1639 C CB    . ARG B 98  ? 0.3571 0.5170 0.3593 -0.0065 -0.0788 -0.0475 98  ARG B CB    
1640 N N     . ARG B 99  ? 0.5757 0.7454 0.5996 -0.0387 -0.0879 -0.0694 99  ARG B N     
1641 C CA    . ARG B 99  ? 0.5872 0.7772 0.6334 -0.0487 -0.0918 -0.0767 99  ARG B CA    
1642 C C     . ARG B 99  ? 0.5488 0.7447 0.5875 -0.0465 -0.1046 -0.0822 99  ARG B C     
1643 O O     . ARG B 99  ? 0.4544 0.6299 0.4743 -0.0508 -0.1073 -0.0863 99  ARG B O     
1644 C CB    . ARG B 99  ? 0.5799 0.7574 0.6333 -0.0665 -0.0839 -0.0813 99  ARG B CB    
1645 N N     . GLY B 100 ? 0.5794 0.8026 0.6316 -0.0389 -0.1124 -0.0825 100 GLY B N     
1646 C CA    . GLY B 100 ? 0.6566 0.8892 0.7032 -0.0372 -0.1255 -0.0880 100 GLY B CA    
1647 C C     . GLY B 100 ? 0.6947 0.9052 0.7086 -0.0292 -0.1297 -0.0861 100 GLY B C     
1648 O O     . GLY B 100 ? 0.7291 0.9275 0.7304 -0.0374 -0.1348 -0.0935 100 GLY B O     
1649 N N     . GLY B 101 ? 0.6736 0.8774 0.6731 -0.0134 -0.1267 -0.0764 101 GLY B N     
1650 C CA    . GLY B 101 ? 0.6638 0.8475 0.6325 -0.0051 -0.1287 -0.0733 101 GLY B CA    
1651 C C     . GLY B 101 ? 0.6132 0.7667 0.5632 -0.0125 -0.1213 -0.0747 101 GLY B C     
1652 O O     . GLY B 101 ? 0.6642 0.8010 0.5886 -0.0071 -0.1220 -0.0734 101 GLY B O     
1653 N N     . GLY B 102 ? 0.4638 0.6096 0.4255 -0.0241 -0.1136 -0.0769 102 GLY B N     
1654 C CA    . GLY B 102 ? 0.4575 0.5743 0.4018 -0.0292 -0.1062 -0.0775 102 GLY B CA    
1655 C C     . GLY B 102 ? 0.4172 0.5256 0.3634 -0.0257 -0.0952 -0.0693 102 GLY B C     
1656 O O     . GLY B 102 ? 0.3920 0.5170 0.3570 -0.0240 -0.0926 -0.0655 102 GLY B O     
1657 N N     . ILE B 103 ? 0.3882 0.4721 0.3152 -0.0244 -0.0885 -0.0669 103 ILE B N     
1658 C CA    . ILE B 103 ? 0.4405 0.5154 0.3682 -0.0225 -0.0785 -0.0601 103 ILE B CA    
1659 C C     . ILE B 103 ? 0.3610 0.4130 0.2805 -0.0316 -0.0726 -0.0644 103 ILE B C     
1660 O O     . ILE B 103 ? 0.4501 0.4845 0.3496 -0.0296 -0.0729 -0.0672 103 ILE B O     
1661 C CB    . ILE B 103 ? 0.5052 0.5741 0.4173 -0.0077 -0.0748 -0.0501 103 ILE B CB    
1662 C CG1   . ILE B 103 ? 0.5525 0.6407 0.4719 0.0028  -0.0796 -0.0450 103 ILE B CG1   
1663 C CG2   . ILE B 103 ? 0.4821 0.5414 0.3946 -0.0072 -0.0651 -0.0440 103 ILE B CG2   
1664 C CD1   . ILE B 103 ? 0.5982 0.6780 0.5045 0.0167  -0.0740 -0.0339 103 ILE B CD1   
1665 N N     . TYR B 104 ? 0.2720 0.3232 0.2055 -0.0408 -0.0662 -0.0641 104 TYR B N     
1666 C CA    . TYR B 104 ? 0.2173 0.2461 0.1449 -0.0496 -0.0596 -0.0669 104 TYR B CA    
1667 C C     . TYR B 104 ? 0.2726 0.2918 0.1990 -0.0476 -0.0499 -0.0573 104 TYR B C     
1668 O O     . TYR B 104 ? 0.2362 0.2682 0.1758 -0.0456 -0.0473 -0.0510 104 TYR B O     
1669 C CB    . TYR B 104 ? 0.3183 0.3498 0.2626 -0.0639 -0.0595 -0.0733 104 TYR B CB    
1670 C CG    . TYR B 104 ? 0.4828 0.5288 0.4334 -0.0656 -0.0699 -0.0809 104 TYR B CG    
1671 C CD1   . TYR B 104 ? 0.5517 0.5839 0.4877 -0.0664 -0.0755 -0.0889 104 TYR B CD1   
1672 C CD2   . TYR B 104 ? 0.5163 0.5902 0.4870 -0.0659 -0.0744 -0.0804 104 TYR B CD2   
1673 C CE1   . TYR B 104 ? 0.5265 0.5720 0.4665 -0.0691 -0.0861 -0.0957 104 TYR B CE1   
1674 C CE2   . TYR B 104 ? 0.5703 0.6594 0.5472 -0.0676 -0.0845 -0.0869 104 TYR B CE2   
1675 C CZ    . TYR B 104 ? 0.5625 0.6374 0.5236 -0.0700 -0.0907 -0.0944 104 TYR B CZ    
1676 O OH    . TYR B 104 ? 0.6566 0.7474 0.6231 -0.0727 -0.1016 -0.1010 104 TYR B OH    
1677 N N     . TRP B 105 ? 0.2092 0.2044 0.1214 -0.0455 -0.0440 -0.0549 105 TRP B N     
1678 C CA    . TRP B 105 ? 0.2287 0.2142 0.1402 -0.0399 -0.0355 -0.0444 105 TRP B CA    
1679 C C     . TRP B 105 ? 0.2150 0.1825 0.1267 -0.0482 -0.0295 -0.0439 105 TRP B C     
1680 O O     . TRP B 105 ? 0.2228 0.1741 0.1258 -0.0535 -0.0295 -0.0504 105 TRP B O     
1681 C CB    . TRP B 105 ? 0.2012 0.1767 0.0971 -0.0277 -0.0331 -0.0402 105 TRP B CB    
1682 C CG    . TRP B 105 ? 0.1947 0.1839 0.0890 -0.0179 -0.0355 -0.0360 105 TRP B CG    
1683 C CD1   . TRP B 105 ? 0.2042 0.2037 0.0920 -0.0139 -0.0430 -0.0405 105 TRP B CD1   
1684 C CD2   . TRP B 105 ? 0.1808 0.1731 0.0788 -0.0107 -0.0301 -0.0260 105 TRP B CD2   
1685 N NE1   . TRP B 105 ? 0.2057 0.2126 0.0916 -0.0035 -0.0418 -0.0325 105 TRP B NE1   
1686 C CE2   . TRP B 105 ? 0.1992 0.2011 0.0919 -0.0024 -0.0334 -0.0240 105 TRP B CE2   
1687 C CE3   . TRP B 105 ? 0.1685 0.1564 0.0733 -0.0108 -0.0233 -0.0190 105 TRP B CE3   
1688 C CZ2   . TRP B 105 ? 0.2027 0.2067 0.0968 0.0048  -0.0284 -0.0150 105 TRP B CZ2   
1689 C CZ3   . TRP B 105 ? 0.1748 0.1675 0.0825 -0.0046 -0.0195 -0.0115 105 TRP B CZ3   
1690 C CH2   . TRP B 105 ? 0.2121 0.2113 0.1145 0.0027  -0.0214 -0.0094 105 TRP B CH2   
1691 N N     . GLY B 106 ? 0.1894 0.1584 0.1093 -0.0489 -0.0242 -0.0362 106 GLY B N     
1692 C CA    . GLY B 106 ? 0.2613 0.2116 0.1774 -0.0530 -0.0180 -0.0328 106 GLY B CA    
1693 C C     . GLY B 106 ? 0.2186 0.1530 0.1220 -0.0429 -0.0151 -0.0283 106 GLY B C     
1694 O O     . GLY B 106 ? 0.2172 0.1567 0.1166 -0.0334 -0.0163 -0.0269 106 GLY B O     
1695 N N     . GLN B 107 ? 0.2410 0.1561 0.1382 -0.0442 -0.0105 -0.0253 107 GLN B N     
1696 C CA    . GLN B 107 ? 0.2249 0.1253 0.1111 -0.0336 -0.0078 -0.0220 107 GLN B CA    
1697 C C     . GLN B 107 ? 0.2760 0.1872 0.1674 -0.0244 -0.0064 -0.0132 107 GLN B C     
1698 O O     . GLN B 107 ? 0.3015 0.2076 0.1880 -0.0145 -0.0043 -0.0104 107 GLN B O     
1699 C CB    . GLN B 107 ? 0.3795 0.2535 0.2559 -0.0363 -0.0036 -0.0217 107 GLN B CB    
1700 C CG    . GLN B 107 ? 0.5567 0.4268 0.4350 -0.0372 -0.0002 -0.0128 107 GLN B CG    
1701 C CD    . GLN B 107 ? 0.6278 0.5026 0.5133 -0.0509 0.0009  -0.0139 107 GLN B CD    
1702 O OE1   . GLN B 107 ? 0.5327 0.4194 0.4263 -0.0596 -0.0017 -0.0212 107 GLN B OE1   
1703 N NE2   . GLN B 107 ? 0.6912 0.5574 0.5734 -0.0523 0.0050  -0.0065 107 GLN B NE2   
1704 N N     . GLY B 108 ? 0.2795 0.2061 0.1814 -0.0277 -0.0071 -0.0095 108 GLY B N     
1705 C CA    . GLY B 108 ? 0.2645 0.2008 0.1717 -0.0212 -0.0063 -0.0026 108 GLY B CA    
1706 C C     . GLY B 108 ? 0.2868 0.2139 0.1909 -0.0207 -0.0046 0.0030  108 GLY B C     
1707 O O     . GLY B 108 ? 0.3142 0.2228 0.2089 -0.0199 -0.0028 0.0032  108 GLY B O     
1708 N N     . THR B 109 ? 0.2255 0.1635 0.1356 -0.0206 -0.0052 0.0075  109 THR B N     
1709 C CA    . THR B 109 ? 0.2418 0.1727 0.1467 -0.0193 -0.0049 0.0131  109 THR B CA    
1710 C C     . THR B 109 ? 0.2371 0.1832 0.1490 -0.0145 -0.0073 0.0169  109 THR B C     
1711 O O     . THR B 109 ? 0.1790 0.1391 0.0994 -0.0174 -0.0080 0.0151  109 THR B O     
1712 C CB    . THR B 109 ? 0.2490 0.1745 0.1503 -0.0290 -0.0029 0.0131  109 THR B CB    
1713 O OG1   . THR B 109 ? 0.3277 0.2413 0.2186 -0.0265 -0.0020 0.0195  109 THR B OG1   
1714 C CG2   . THR B 109 ? 0.2209 0.1635 0.1311 -0.0338 -0.0034 0.0117  109 THR B CG2   
1715 N N     . GLN B 110 ? 0.1981 0.1412 0.1066 -0.0069 -0.0088 0.0218  110 GLN B N     
1716 C CA    . GLN B 110 ? 0.2387 0.1988 0.1559 -0.0026 -0.0123 0.0244  110 GLN B CA    
1717 C C     . GLN B 110 ? 0.2455 0.2098 0.1594 -0.0075 -0.0151 0.0260  110 GLN B C     
1718 O O     . GLN B 110 ? 0.2647 0.2165 0.1660 -0.0076 -0.0151 0.0295  110 GLN B O     
1719 C CB    . GLN B 110 ? 0.2432 0.2025 0.1601 0.0089  -0.0138 0.0286  110 GLN B CB    
1720 C CG    . GLN B 110 ? 0.2801 0.2599 0.2078 0.0128  -0.0188 0.0309  110 GLN B CG    
1721 C CD    . GLN B 110 ? 0.4471 0.4450 0.3914 0.0120  -0.0171 0.0279  110 GLN B CD    
1722 O OE1   . GLN B 110 ? 0.4863 0.4810 0.4325 0.0148  -0.0123 0.0263  110 GLN B OE1   
1723 N NE2   . GLN B 110 ? 0.4773 0.4931 0.4326 0.0080  -0.0205 0.0270  110 GLN B NE2   
1724 N N     . VAL B 111 ? 0.1532 0.1332 0.0767 -0.0114 -0.0168 0.0235  111 VAL B N     
1725 C CA    . VAL B 111 ? 0.1569 0.1424 0.0768 -0.0151 -0.0200 0.0237  111 VAL B CA    
1726 C C     . VAL B 111 ? 0.1863 0.1890 0.1163 -0.0116 -0.0255 0.0239  111 VAL B C     
1727 O O     . VAL B 111 ? 0.1784 0.1923 0.1223 -0.0126 -0.0243 0.0212  111 VAL B O     
1728 C CB    . VAL B 111 ? 0.2089 0.1963 0.1306 -0.0239 -0.0168 0.0190  111 VAL B CB    
1729 C CG1   . VAL B 111 ? 0.1732 0.1662 0.0906 -0.0273 -0.0197 0.0177  111 VAL B CG1   
1730 C CG2   . VAL B 111 ? 0.2083 0.1832 0.1230 -0.0281 -0.0119 0.0185  111 VAL B CG2   
1731 N N     . THR B 112 ? 0.1689 0.1742 0.0919 -0.0076 -0.0314 0.0271  112 THR B N     
1732 C CA    . THR B 112 ? 0.1614 0.1866 0.0955 -0.0047 -0.0384 0.0265  112 THR B CA    
1733 C C     . THR B 112 ? 0.1684 0.1984 0.0943 -0.0100 -0.0439 0.0239  112 THR B C     
1734 O O     . THR B 112 ? 0.2370 0.2566 0.1444 -0.0077 -0.0460 0.0275  112 THR B O     
1735 C CB    . THR B 112 ? 0.2078 0.2357 0.1418 0.0078  -0.0426 0.0324  112 THR B CB    
1736 O OG1   . THR B 112 ? 0.2406 0.2620 0.1802 0.0130  -0.0365 0.0336  112 THR B OG1   
1737 C CG2   . THR B 112 ? 0.2328 0.2869 0.1825 0.0106  -0.0506 0.0311  112 THR B CG2   
1738 N N     . VAL B 113 ? 0.1937 0.2380 0.1316 -0.0170 -0.0458 0.0177  113 VAL B N     
1739 C CA    . VAL B 113 ? 0.1997 0.2486 0.1296 -0.0229 -0.0513 0.0131  113 VAL B CA    
1740 C C     . VAL B 113 ? 0.2451 0.3168 0.1869 -0.0210 -0.0615 0.0111  113 VAL B C     
1741 O O     . VAL B 113 ? 0.1808 0.2674 0.1437 -0.0251 -0.0611 0.0072  113 VAL B O     
1742 C CB    . VAL B 113 ? 0.1752 0.2203 0.1083 -0.0333 -0.0455 0.0059  113 VAL B CB    
1743 C CG1   . VAL B 113 ? 0.1740 0.2204 0.0949 -0.0389 -0.0505 0.0002  113 VAL B CG1   
1744 C CG2   . VAL B 113 ? 0.1553 0.1834 0.0820 -0.0341 -0.0361 0.0077  113 VAL B CG2   
1745 N N     . SER B 114 ? 0.2986 0.3739 0.2269 -0.0151 -0.0706 0.0140  114 SER B N     
1746 C CA    . SER B 114 ? 0.3444 0.4451 0.2843 -0.0118 -0.0826 0.0123  114 SER B CA    
1747 C C     . SER B 114 ? 0.4037 0.5122 0.3467 -0.0221 -0.0870 0.0016  114 SER B C     
1748 O O     . SER B 114 ? 0.3602 0.4530 0.2861 -0.0275 -0.0839 -0.0025 114 SER B O     
1749 C CB    . SER B 114 ? 0.4054 0.5016 0.3293 0.0018  -0.0897 0.0197  114 SER B CB    
1750 O OG    . SER B 114 ? 0.4043 0.4795 0.3008 0.0012  -0.0885 0.0201  114 SER B OG    
1751 N N     . SER B 115 ? 0.4556 0.5876 0.4216 -0.0242 -0.0933 -0.0032 115 SER B N     
1752 C CA    . SER B 115 ? 0.5191 0.6583 0.4908 -0.0338 -0.0982 -0.0139 115 SER B CA    
1753 C C     . SER B 115 ? 0.5793 0.7069 0.5529 -0.0472 -0.0887 -0.0211 115 SER B C     
1754 O O     . SER B 115 ? 0.6126 0.7504 0.6081 -0.0559 -0.0858 -0.0261 115 SER B O     
1755 C CB    . SER B 115 ? 0.5141 0.6445 0.4614 -0.0292 -0.1066 -0.0151 115 SER B CB    
1756 O OG    . SER B 115 ? 0.4813 0.6214 0.4271 -0.0169 -0.1165 -0.0084 115 SER B OG    
1757 O "O5'" A DG  C 1   ? 0.2188 0.2268 0.0876 0.0309  -0.0489 0.0256  1   DG  C "O5'" 
1758 O "O5'" B DG  C 1   ? 0.2573 0.2309 0.0928 0.0321  -0.0527 0.0229  1   DG  C "O5'" 
1759 C "C5'" A DG  C 1   ? 0.2543 0.2385 0.1024 0.0377  -0.0477 0.0257  1   DG  C "C5'" 
1760 C "C5'" B DG  C 1   ? 0.2512 0.2356 0.1011 0.0331  -0.0454 0.0255  1   DG  C "C5'" 
1761 C "C4'" A DG  C 1   ? 0.2846 0.2424 0.1195 0.0365  -0.0331 0.0277  1   DG  C "C4'" 
1762 C "C4'" B DG  C 1   ? 0.2875 0.2459 0.1238 0.0349  -0.0320 0.0278  1   DG  C "C4'" 
1763 O "O4'" A DG  C 1   ? 0.2780 0.2238 0.1068 0.0280  -0.0263 0.0276  1   DG  C "O4'" 
1764 O "O4'" B DG  C 1   ? 0.2482 0.1893 0.0761 0.0274  -0.0224 0.0285  1   DG  C "O4'" 
1765 C "C3'" A DG  C 1   ? 0.2736 0.2363 0.1200 0.0363  -0.0267 0.0297  1   DG  C "C3'" 
1766 C "C3'" B DG  C 1   ? 0.2751 0.2386 0.1225 0.0357  -0.0264 0.0298  1   DG  C "C3'" 
1767 O "O3'" A DG  C 1   ? 0.2985 0.2360 0.1311 0.0394  -0.0189 0.0317  1   DG  C "O3'" 
1768 O "O3'" B DG  C 1   ? 0.2992 0.2375 0.1324 0.0393  -0.0191 0.0317  1   DG  C "O3'" 
1769 C "C2'" A DG  C 1   ? 0.2421 0.2100 0.1012 0.0250  -0.0208 0.0295  1   DG  C "C2'" 
1770 C "C2'" B DG  C 1   ? 0.2112 0.1798 0.0725 0.0243  -0.0200 0.0296  1   DG  C "C2'" 
1771 C "C1'" A DG  C 1   ? 0.2537 0.2003 0.0940 0.0220  -0.0164 0.0299  1   DG  C "C1'" 
1772 C "C1'" B DG  C 1   ? 0.2282 0.1749 0.0718 0.0209  -0.0142 0.0302  1   DG  C "C1'" 
1773 N N9    A DG  C 1   ? 0.2366 0.1894 0.0877 0.0124  -0.0135 0.0281  1   DG  C N9    
1774 N N9    B DG  C 1   ? 0.2564 0.2095 0.1103 0.0116  -0.0117 0.0285  1   DG  C N9    
1775 C C8    A DG  C 1   ? 0.2529 0.1901 0.1001 0.0077  -0.0015 0.0299  1   DG  C C8    
1776 C C8    B DG  C 1   ? 0.2425 0.1807 0.0931 0.0068  0.0000  0.0302  1   DG  C C8    
1777 N N7    A DG  C 1   ? 0.2156 0.1601 0.0712 0.0012  -0.0017 0.0277  1   DG  C N7    
1778 N N7    B DG  C 1   ? 0.2138 0.1587 0.0714 0.0007  -0.0004 0.0280  1   DG  C N7    
1779 C C5    A DG  C 1   ? 0.2142 0.1804 0.0814 -0.0005 -0.0143 0.0246  1   DG  C C5    
1780 C C5    B DG  C 1   ? 0.2029 0.1687 0.0709 -0.0007 -0.0132 0.0248  1   DG  C C5    
1781 C C6    A DG  C 1   ? 0.2037 0.1834 0.0830 -0.0081 -0.0194 0.0219  1   DG  C C6    
1782 C C6    B DG  C 1   ? 0.2090 0.1877 0.0878 -0.0081 -0.0188 0.0220  1   DG  C C6    
1783 O O6    A DG  C 1   ? 0.2039 0.1763 0.0821 -0.0138 -0.0145 0.0211  1   DG  C O6    
1784 O O6    B DG  C 1   ? 0.1960 0.1668 0.0729 -0.0137 -0.0141 0.0211  1   DG  C O6    
1785 N N1    A DG  C 1   ? 0.2030 0.2064 0.0972 -0.0083 -0.0303 0.0210  1   DG  C N1    
1786 N N1    B DG  C 1   ? 0.2065 0.2086 0.0998 -0.0082 -0.0298 0.0210  1   DG  C N1    
1787 C C2    A DG  C 1   ? 0.2124 0.2257 0.1085 0.0003  -0.0357 0.0223  1   DG  C C2    
1788 C C2    B DG  C 1   ? 0.2240 0.2361 0.1196 0.0004  -0.0348 0.0224  1   DG  C C2    
1789 N N2    A DG  C 1   ? 0.1771 0.2171 0.0927 0.0002  -0.0442 0.0224  1   DG  C N2    
1790 N N2    B DG  C 1   ? 0.1773 0.2158 0.0918 0.0005  -0.0435 0.0224  1   DG  C N2    
1791 N N3    A DG  C 1   ? 0.1969 0.1942 0.0771 0.0089  -0.0319 0.0240  1   DG  C N3    
1792 N N3    B DG  C 1   ? 0.1957 0.1922 0.0763 0.0087  -0.0304 0.0243  1   DG  C N3    
1793 C C4    A DG  C 1   ? 0.2054 0.1792 0.0721 0.0068  -0.0212 0.0252  1   DG  C C4    
1794 C C4    B DG  C 1   ? 0.2038 0.1773 0.0717 0.0065  -0.0197 0.0254  1   DG  C C4    
1795 P P     . DG  C 2   ? 0.3160 0.2482 0.1526 0.0404  -0.0152 0.0332  2   DG  C P     
1796 O OP1   . DG  C 2   ? 0.2809 0.1865 0.0992 0.0460  -0.0115 0.0345  2   DG  C OP1   
1797 O OP2   . DG  C 2   ? 0.2800 0.2379 0.1329 0.0443  -0.0213 0.0315  2   DG  C OP2   
1798 O "O5'" . DG  C 2   ? 0.3012 0.2287 0.1487 0.0279  -0.0070 0.0347  2   DG  C "O5'" 
1799 C "C5'" . DG  C 2   ? 0.2497 0.1574 0.0903 0.0219  0.0034  0.0379  2   DG  C "C5'" 
1800 C "C4'" . DG  C 2   ? 0.2774 0.1955 0.1430 0.0103  0.0093  0.0379  2   DG  C "C4'" 
1801 O "O4'" . DG  C 2   ? 0.2090 0.1456 0.0824 0.0083  0.0060  0.0350  2   DG  C "O4'" 
1802 C "C3'" . DG  C 2   ? 0.2470 0.1739 0.1320 0.0061  0.0052  0.0362  2   DG  C "C3'" 
1803 O "O3'" . DG  C 2   ? 0.2238 0.1340 0.1146 -0.0004 0.0111  0.0395  2   DG  C "O3'" 
1804 C "C2'" . DG  C 2   ? 0.2317 0.1803 0.1376 0.0001  0.0042  0.0339  2   DG  C "C2'" 
1805 C "C1'" . DG  C 2   ? 0.1891 0.1382 0.0859 0.0004  0.0082  0.0343  2   DG  C "C1'" 
1806 N N9    . DG  C 2   ? 0.1749 0.1426 0.0784 -0.0008 0.0026  0.0310  2   DG  C N9    
1807 C C8    . DG  C 2   ? 0.2331 0.2169 0.1387 0.0031  -0.0061 0.0288  2   DG  C C8    
1808 N N7    . DG  C 2   ? 0.1587 0.1563 0.0727 -0.0013 -0.0084 0.0271  2   DG  C N7    
1809 C C5    . DG  C 2   ? 0.1591 0.1463 0.0722 -0.0069 -0.0014 0.0276  2   DG  C C5    
1810 C C6    . DG  C 2   ? 0.1667 0.1564 0.0826 -0.0125 -0.0002 0.0262  2   DG  C C6    
1811 O O6    . DG  C 2   ? 0.1650 0.1667 0.0863 -0.0160 -0.0056 0.0243  2   DG  C O6    
1812 N N1    . DG  C 2   ? 0.1634 0.1387 0.0756 -0.0140 0.0097  0.0280  2   DG  C N1    
1813 C C2    . DG  C 2   ? 0.2152 0.1786 0.1263 -0.0118 0.0182  0.0317  2   DG  C C2    
1814 N N2    . DG  C 2   ? 0.1790 0.1327 0.0908 -0.0125 0.0297  0.0346  2   DG  C N2    
1815 N N3    . DG  C 2   ? 0.1786 0.1388 0.0882 -0.0090 0.0167  0.0331  2   DG  C N3    
1816 C C4    . DG  C 2   ? 0.1690 0.1401 0.0775 -0.0060 0.0062  0.0304  2   DG  C C4    
1817 P P     . DT  C 3   ? 0.3312 0.2276 0.2185 0.0003  0.0041  0.0383  3   DT  C P     
1818 O OP1   . DT  C 3   ? 0.3777 0.2592 0.2775 -0.0106 0.0107  0.0426  3   DT  C OP1   
1819 O OP2   . DT  C 3   ? 0.2960 0.1823 0.1566 0.0131  -0.0006 0.0374  3   DT  C OP2   
1820 O "O5'" . DT  C 3   ? 0.2684 0.1835 0.1717 -0.0010 -0.0053 0.0335  3   DT  C "O5'" 
1821 C "C5'" . DT  C 3   ? 0.2682 0.1738 0.1625 0.0037  -0.0145 0.0304  3   DT  C "C5'" 
1822 C "C4'" . DT  C 3   ? 0.2424 0.1637 0.1501 0.0024  -0.0206 0.0268  3   DT  C "C4'" 
1823 O "O4'" . DT  C 3   ? 0.2457 0.1702 0.1775 -0.0097 -0.0207 0.0276  3   DT  C "O4'" 
1824 C "C3'" . DT  C 3   ? 0.2587 0.2047 0.1714 0.0062  -0.0177 0.0264  3   DT  C "C3'" 
1825 O "O3'" . DT  C 3   ? 0.2718 0.2223 0.1710 0.0178  -0.0207 0.0251  3   DT  C "O3'" 
1826 C "C2'" . DT  C 3   ? 0.1700 0.1263 0.1013 -0.0006 -0.0199 0.0249  3   DT  C "C2'" 
1827 C "C1'" . DT  C 3   ? 0.1936 0.1391 0.1392 -0.0106 -0.0201 0.0265  3   DT  C "C1'" 
1828 N N1    . DT  C 3   ? 0.1910 0.1461 0.1539 -0.0176 -0.0101 0.0302  3   DT  C N1    
1829 C C2    . DT  C 3   ? 0.1826 0.1535 0.1593 -0.0194 -0.0090 0.0296  3   DT  C C2    
1830 O O2    . DT  C 3   ? 0.1983 0.1758 0.1735 -0.0162 -0.0155 0.0265  3   DT  C O2    
1831 N N3    . DT  C 3   ? 0.1823 0.1582 0.1714 -0.0236 0.0016  0.0334  3   DT  C N3    
1832 C C4    . DT  C 3   ? 0.2789 0.2450 0.2671 -0.0260 0.0122  0.0382  3   DT  C C4    
1833 O O4    . DT  C 3   ? 0.2968 0.2656 0.2933 -0.0276 0.0235  0.0421  3   DT  C O4    
1834 C C5    . DT  C 3   ? 0.3825 0.3312 0.3558 -0.0250 0.0105  0.0389  3   DT  C C5    
1835 C C7    . DT  C 3   ? 0.4198 0.3526 0.3872 -0.0268 0.0230  0.0449  3   DT  C C7    
1836 C C6    . DT  C 3   ? 0.3041 0.2481 0.2658 -0.0209 -0.0012 0.0346  3   DT  C C6    
1837 P P     . DT  C 4   ? 0.2375 0.2110 0.1390 0.0231  -0.0176 0.0264  4   DT  C P     
1838 O OP1   . DT  C 4   ? 0.2250 0.2008 0.1147 0.0368  -0.0194 0.0266  4   DT  C OP1   
1839 O OP2   . DT  C 4   ? 0.2955 0.2675 0.1957 0.0194  -0.0144 0.0281  4   DT  C OP2   
1840 O "O5'" . DT  C 4   ? 0.2201 0.2116 0.1387 0.0164  -0.0161 0.0257  4   DT  C "O5'" 
1841 C "C5'" . DT  C 4   ? 0.1900 0.1845 0.1080 0.0207  -0.0175 0.0247  4   DT  C "C5'" 
1842 C "C4'" . DT  C 4   ? 0.1760 0.1933 0.1042 0.0207  -0.0134 0.0263  4   DT  C "C4'" 
1843 O "O4'" . DT  C 4   ? 0.1625 0.1854 0.1030 0.0097  -0.0115 0.0260  4   DT  C "O4'" 
1844 C "C3'" . DT  C 4   ? 0.1858 0.2194 0.1173 0.0249  -0.0127 0.0285  4   DT  C "C3'" 
1845 O "O3'" . DT  C 4   ? 0.1970 0.2513 0.1390 0.0278  -0.0088 0.0311  4   DT  C "O3'" 
1846 C "C2'" . DT  C 4   ? 0.1483 0.1830 0.0857 0.0144  -0.0133 0.0277  4   DT  C "C2'" 
1847 C "C1'" . DT  C 4   ? 0.1389 0.1729 0.0845 0.0058  -0.0105 0.0269  4   DT  C "C1'" 
1848 N N1    . DT  C 4   ? 0.1382 0.1629 0.0852 -0.0024 -0.0089 0.0261  4   DT  C N1    
1849 C C2    . DT  C 4   ? 0.1188 0.1489 0.0708 -0.0092 -0.0069 0.0259  4   DT  C C2    
1850 O O2    . DT  C 4   ? 0.1185 0.1613 0.0760 -0.0111 -0.0075 0.0263  4   DT  C O2    
1851 N N3    . DT  C 4   ? 0.1530 0.1717 0.1031 -0.0136 -0.0034 0.0257  4   DT  C N3    
1852 C C4    . DT  C 4   ? 0.1342 0.1406 0.0832 -0.0131 -0.0003 0.0268  4   DT  C C4    
1853 O O4    . DT  C 4   ? 0.1308 0.1294 0.0804 -0.0160 0.0058  0.0280  4   DT  C O4    
1854 C C5    . DT  C 4   ? 0.1349 0.1368 0.0817 -0.0086 -0.0035 0.0270  4   DT  C C5    
1855 C C7    . DT  C 4   ? 0.1399 0.1276 0.0882 -0.0103 -0.0006 0.0289  4   DT  C C7    
1856 C C6    . DT  C 4   ? 0.1303 0.1396 0.0737 -0.0029 -0.0082 0.0262  4   DT  C C6    
1857 P P     . DG  C 5   ? 0.1998 0.2751 0.1486 0.0382  -0.0079 0.0347  5   DG  C P     
1858 O OP1   . DG  C 5   ? 0.1489 0.2415 0.1099 0.0401  -0.0001 0.0387  5   DG  C OP1   
1859 O OP2   . DG  C 5   ? 0.2243 0.2840 0.1544 0.0513  -0.0101 0.0343  5   DG  C OP2   
1860 O "O5'" . DG  C 5   ? 0.1585 0.2485 0.1201 0.0299  -0.0138 0.0345  5   DG  C "O5'" 
1861 C "C5'" . DG  C 5   ? 0.1386 0.2360 0.1127 0.0160  -0.0141 0.0337  5   DG  C "C5'" 
1862 C "C4'" . DG  C 5   ? 0.1931 0.3202 0.1914 0.0133  -0.0134 0.0376  5   DG  C "C4'" 
1863 O "O4'" . DG  C 5   ? 0.1132 0.2406 0.1196 -0.0014 -0.0126 0.0367  5   DG  C "O4'" 
1864 C "C3'" . DG  C 5   ? 0.1760 0.3212 0.1856 0.0147  -0.0234 0.0381  5   DG  C "C3'" 
1865 O "O3'" . DG  C 5   ? 0.2450 0.4229 0.2837 0.0151  -0.0207 0.0435  5   DG  C "O3'" 
1866 C "C2'" . DG  C 5   ? 0.1992 0.3332 0.2042 0.0005  -0.0309 0.0339  5   DG  C "C2'" 
1867 C "C1'" . DG  C 5   ? 0.1363 0.2697 0.1491 -0.0101 -0.0227 0.0348  5   DG  C "C1'" 
1868 N N9    . DG  C 5   ? 0.1292 0.2390 0.1269 -0.0194 -0.0233 0.0307  5   DG  C N9    
1869 C C8    . DG  C 5   ? 0.1199 0.2263 0.1219 -0.0319 -0.0223 0.0301  5   DG  C C8    
1870 N N7    . DG  C 5   ? 0.1752 0.2577 0.1594 -0.0353 -0.0213 0.0268  5   DG  C N7    
1871 C C5    . DG  C 5   ? 0.1702 0.2414 0.1406 -0.0260 -0.0211 0.0256  5   DG  C C5    
1872 C C6    . DG  C 5   ? 0.1313 0.1793 0.0845 -0.0248 -0.0178 0.0237  5   DG  C C6    
1873 O O6    . DG  C 5   ? 0.1612 0.1944 0.1067 -0.0299 -0.0144 0.0224  5   DG  C O6    
1874 N N1    . DG  C 5   ? 0.1336 0.1756 0.0789 -0.0161 -0.0174 0.0242  5   DG  C N1    
1875 C C2    . DG  C 5   ? 0.1538 0.2076 0.1029 -0.0079 -0.0206 0.0257  5   DG  C C2    
1876 N N2    . DG  C 5   ? 0.1399 0.1803 0.0764 -0.0004 -0.0196 0.0260  5   DG  C N2    
1877 N N3    . DG  C 5   ? 0.1273 0.2038 0.0919 -0.0065 -0.0232 0.0275  5   DG  C N3    
1878 C C4    . DG  C 5   ? 0.1342 0.2197 0.1108 -0.0166 -0.0229 0.0277  5   DG  C C4    
1879 P P     . DG  C 6   ? 0.2231 0.4308 0.2849 0.0181  -0.0321 0.0458  6   DG  C P     
1880 O OP1   . DG  C 6   ? 0.2932 0.5336 0.3849 0.0240  -0.0220 0.0537  6   DG  C OP1   
1881 O OP2   . DG  C 6   ? 0.2791 0.4722 0.3190 0.0294  -0.0416 0.0426  6   DG  C OP2   
1882 O "O5'" . DG  C 6   ? 0.1948 0.4057 0.2682 -0.0016 -0.0434 0.0426  6   DG  C "O5'" 
1883 C "C5'" . DG  C 6   ? 0.1572 0.3797 0.2519 -0.0161 -0.0372 0.0455  6   DG  C "C5'" 
1884 C "C4'" . DG  C 6   ? 0.1532 0.3634 0.2447 -0.0341 -0.0495 0.0403  6   DG  C "C4'" 
1885 O "O4'" . DG  C 6   ? 0.1708 0.3427 0.2264 -0.0350 -0.0471 0.0346  6   DG  C "O4'" 
1886 C "C3'" . DG  C 6   ? 0.1772 0.3948 0.2726 -0.0356 -0.0706 0.0369  6   DG  C "C3'" 
1887 O "O3'" . DG  C 6   ? 0.2550 0.4796 0.3685 -0.0540 -0.0813 0.0356  6   DG  C "O3'" 
1888 C "C2'" . DG  C 6   ? 0.1503 0.3284 0.2025 -0.0309 -0.0749 0.0301  6   DG  C "C2'" 
1889 C "C1'" . DG  C 6   ? 0.1557 0.3115 0.1950 -0.0397 -0.0621 0.0290  6   DG  C "C1'" 
1890 N N9    . DG  C 6   ? 0.1698 0.2912 0.1740 -0.0342 -0.0578 0.0251  6   DG  C N9    
1891 C C8    . DG  C 6   ? 0.1943 0.3042 0.1800 -0.0207 -0.0564 0.0246  6   DG  C C8    
1892 N N7    . DG  C 6   ? 0.1702 0.2504 0.1302 -0.0202 -0.0509 0.0221  6   DG  C N7    
1893 C C5    . DG  C 6   ? 0.1598 0.2312 0.1196 -0.0323 -0.0489 0.0204  6   DG  C C5    
1894 C C6    . DG  C 6   ? 0.2245 0.2679 0.1634 -0.0353 -0.0422 0.0183  6   DG  C C6    
1895 O O6    . DG  C 6   ? 0.2068 0.2305 0.1274 -0.0289 -0.0356 0.0181  6   DG  C O6    
1896 N N1    . DG  C 6   ? 0.2002 0.2398 0.1426 -0.0468 -0.0424 0.0171  6   DG  C N1    
1897 C C2    . DG  C 6   ? 0.2345 0.2943 0.1994 -0.0566 -0.0483 0.0182  6   DG  C C2    
1898 N N2    . DG  C 6   ? 0.1774 0.2250 0.1394 -0.0679 -0.0472 0.0170  6   DG  C N2    
1899 N N3    . DG  C 6   ? 0.2493 0.3389 0.2387 -0.0551 -0.0538 0.0210  6   DG  C N3    
1900 C C4    . DG  C 6   ? 0.1625 0.2564 0.1470 -0.0416 -0.0538 0.0219  6   DG  C C4    
1901 P P     . DT  C 7   ? 0.3319 0.5898 0.4907 -0.0581 -0.0831 0.0393  7   DT  C P     
1902 O OP1   . DT  C 7   ? 0.4104 0.6814 0.5891 -0.0628 -0.0627 0.0469  7   DT  C OP1   
1903 O OP2   . DT  C 7   ? 0.2982 0.5743 0.4665 -0.0415 -0.0907 0.0397  7   DT  C OP2   
1904 O "O5'" . DT  C 7   ? 0.4382 0.6806 0.5961 -0.0754 -0.1008 0.0319  7   DT  C "O5'" 
1905 C "C5'" . DT  C 7   ? 0.4503 0.6736 0.5842 -0.0714 -0.1210 0.0235  7   DT  C "C5'" 
1906 C "C4'" . DT  C 7   ? 0.4585 0.6432 0.5609 -0.0845 -0.1291 0.0163  7   DT  C "C4'" 
1907 O "O4'" . DT  C 7   ? 0.4584 0.6492 0.5853 -0.1024 -0.1306 0.0163  7   DT  C "O4'" 
1908 C "C3'" . DT  C 7   ? 0.4012 0.5557 0.4688 -0.0855 -0.1163 0.0167  7   DT  C "C3'" 
1909 O "O3'" . DT  C 7   ? 0.3787 0.4922 0.4056 -0.0874 -0.1266 0.0088  7   DT  C "O3'" 
1910 C "C2'" . DT  C 7   ? 0.3680 0.5301 0.4573 -0.1003 -0.1038 0.0213  7   DT  C "C2'" 
1911 C "C1'" . DT  C 7   ? 0.4359 0.6023 0.5448 -0.1123 -0.1185 0.0175  7   DT  C "C1'" 
1912 N N1    . DT  C 7   ? 0.6220 0.8080 0.7673 -0.1253 -0.1085 0.0231  7   DT  C N1    
1913 C C2    . DT  C 7   ? 0.6843 0.8483 0.8175 -0.1360 -0.0968 0.0246  7   DT  C C2    
1914 O O2    . DT  C 7   ? 0.6090 0.7402 0.7047 -0.1355 -0.0940 0.0217  7   DT  C O2    
1915 N N3    . DT  C 7   ? 0.7787 0.9599 0.9449 -0.1463 -0.0871 0.0300  7   DT  C N3    
1916 C C4    . DT  C 7   ? 0.8043 1.0234 1.0158 -0.1479 -0.0873 0.0338  7   DT  C C4    
1917 O O4    . DT  C 7   ? 0.8822 1.1128 1.1204 -0.1577 -0.0761 0.0388  7   DT  C O4    
1918 C C5    . DT  C 7   ? 0.7257 0.9686 0.9499 -0.1364 -0.1006 0.0317  7   DT  C C5    
1919 C C7    . DT  C 7   ? 0.7194 1.0054 0.9930 -0.1359 -0.1018 0.0354  7   DT  C C7    
1920 C C6    . DT  C 7   ? 0.6731 0.8973 0.8627 -0.1255 -0.1109 0.0264  7   DT  C C6    
1921 P P     . DG  C 8   ? 0.3970 0.4849 0.3831 -0.0706 -0.1311 0.0047  8   DG  C P     
1922 O OP1   . DG  C 8   ? 0.4259 0.4719 0.3739 -0.0737 -0.1395 -0.0027 8   DG  C OP1   
1923 O OP2   . DG  C 8   ? 0.3387 0.4545 0.3439 -0.0582 -0.1389 0.0060  8   DG  C OP2   
1924 O "O5'" . DG  C 8   ? 0.3483 0.4273 0.3177 -0.0644 -0.1120 0.0092  8   DG  C "O5'" 
1925 C "C5'" . DG  C 8   ? 0.3483 0.4072 0.3072 -0.0714 -0.0977 0.0090  8   DG  C "C5'" 
1926 C "C4'" . DG  C 8   ? 0.2738 0.2986 0.1949 -0.0603 -0.0861 0.0073  8   DG  C "C4'" 
1927 O "O4'" . DG  C 8   ? 0.2145 0.2521 0.1418 -0.0473 -0.0758 0.0112  8   DG  C "O4'" 
1928 C "C3'" . DG  C 8   ? 0.3449 0.3346 0.2253 -0.0556 -0.0972 0.0020  8   DG  C "C3'" 
1929 O "O3'" . DG  C 8   ? 0.4833 0.4402 0.3387 -0.0611 -0.0917 -0.0009 8   DG  C "O3'" 
1930 C "C2'" . DG  C 8   ? 0.4101 0.3904 0.2727 -0.0393 -0.0872 0.0043  8   DG  C "C2'" 
1931 C "C1'" . DG  C 8   ? 0.2926 0.3054 0.1885 -0.0361 -0.0756 0.0097  8   DG  C "C1'" 
1932 N N9    . DG  C 8   ? 0.3037 0.3354 0.2087 -0.0257 -0.0815 0.0118  8   DG  C N9    
1933 C C8    . DG  C 8   ? 0.2143 0.2807 0.1501 -0.0266 -0.0919 0.0136  8   DG  C C8    
1934 N N7    . DG  C 8   ? 0.2382 0.3137 0.1738 -0.0133 -0.0941 0.0157  8   DG  C N7    
1935 C C5    . DG  C 8   ? 0.2758 0.3187 0.1778 -0.0049 -0.0846 0.0153  8   DG  C C5    
1936 C C6    . DG  C 8   ? 0.3498 0.3817 0.2339 0.0097  -0.0819 0.0172  8   DG  C C6    
1937 O O6    . DG  C 8   ? 0.3438 0.3919 0.2359 0.0200  -0.0881 0.0192  8   DG  C O6    
1938 N N1    . DG  C 8   ? 0.3444 0.3419 0.1990 0.0121  -0.0694 0.0174  8   DG  C N1    
1939 C C2    . DG  C 8   ? 0.3557 0.3347 0.2008 0.0037  -0.0605 0.0161  8   DG  C C2    
1940 N N2    . DG  C 8   ? 0.2593 0.2103 0.0820 0.0081  -0.0467 0.0180  8   DG  C N2    
1941 N N3    . DG  C 8   ? 0.2401 0.2277 0.0986 -0.0079 -0.0636 0.0138  8   DG  C N3    
1942 C C4    . DG  C 8   ? 0.2593 0.2777 0.1452 -0.0125 -0.0760 0.0134  8   DG  C C4    
1943 P P     . DT  C 9   ? 0.5270 0.4383 0.3371 -0.0551 -0.0959 -0.0063 9   DT  C P     
1944 O OP1   . DT  C 9   ? 0.6104 0.5146 0.4239 -0.0683 -0.1092 -0.0105 9   DT  C OP1   
1945 O OP2   . DT  C 9   ? 0.6023 0.5090 0.3992 -0.0409 -0.0993 -0.0067 9   DT  C OP2   
1946 O "O5'" . DT  C 9   ? 0.3698 0.2536 0.1547 -0.0497 -0.0745 -0.0042 9   DT  C "O5'" 
1947 C "C5'" . DT  C 9   ? 0.3801 0.2713 0.1823 -0.0575 -0.0636 -0.0021 9   DT  C "C5'" 
1948 C "C4'" . DT  C 9   ? 0.3843 0.2457 0.1609 -0.0491 -0.0450 -0.0007 9   DT  C "C4'" 
1949 O "O4'" . DT  C 9   ? 0.3362 0.2080 0.1209 -0.0376 -0.0299 0.0044  9   DT  C "O4'" 
1950 C "C3'" . DT  C 9   ? 0.4640 0.2812 0.1966 -0.0423 -0.0466 -0.0046 9   DT  C "C3'" 
1951 O "O3'" . DT  C 9   ? 0.5114 0.3042 0.2277 -0.0392 -0.0321 -0.0038 9   DT  C "O3'" 
1952 C "C2'" . DT  C 9   ? 0.3757 0.1906 0.1017 -0.0277 -0.0380 -0.0017 9   DT  C "C2'" 
1953 C "C1'" . DT  C 9   ? 0.3624 0.2023 0.1130 -0.0260 -0.0223 0.0046  9   DT  C "C1'" 
1954 N N1    . DT  C 9   ? 0.3525 0.2045 0.1112 -0.0176 -0.0179 0.0081  9   DT  C N1    
1955 C C2    . DT  C 9   ? 0.4251 0.2592 0.1719 -0.0059 -0.0026 0.0111  9   DT  C C2    
1956 O O2    . DT  C 9   ? 0.4342 0.2443 0.1648 -0.0007 0.0078  0.0110  9   DT  C O2    
1957 N N3    . DT  C 9   ? 0.3658 0.2098 0.1204 -0.0005 0.0004  0.0143  9   DT  C N3    
1958 C C4    . DT  C 9   ? 0.3403 0.2087 0.1111 -0.0033 -0.0101 0.0148  9   DT  C C4    
1959 O O4    . DT  C 9   ? 0.3701 0.2417 0.1439 0.0028  -0.0061 0.0178  9   DT  C O4    
1960 C C5    . DT  C 9   ? 0.2936 0.1829 0.0786 -0.0138 -0.0254 0.0119  9   DT  C C5    
1961 C C7    . DT  C 9   ? 0.2813 0.2032 0.0939 -0.0151 -0.0353 0.0125  9   DT  C C7    
1962 C C6    . DT  C 9   ? 0.3006 0.1825 0.0823 -0.0214 -0.0281 0.0088  9   DT  C C6    
1963 P P     . DG  C 10  ? 0.5486 0.3165 0.2490 -0.0496 -0.0403 -0.0083 10  DG  C P     
1964 O OP1   . DG  C 10  ? 0.5097 0.2648 0.1991 -0.0548 -0.0611 -0.0132 10  DG  C OP1   
1965 O OP2   . DG  C 10  ? 0.5562 0.2964 0.2361 -0.0380 -0.0210 -0.0060 10  DG  C OP2   
1966 O "O5'" . DG  C 10  ? 0.4407 0.2427 0.1794 -0.0644 -0.0428 -0.0066 10  DG  C "O5'" 
1967 C "C5'" . DG  C 10  ? 0.3963 0.2120 0.1548 -0.0604 -0.0249 -0.0014 10  DG  C "C5'" 
1968 C "C4'" . DG  C 10  ? 0.3889 0.2276 0.1781 -0.0743 -0.0292 -0.0002 10  DG  C "C4'" 
1969 O "O4'" . DG  C 10  ? 0.3483 0.2260 0.1715 -0.0797 -0.0375 0.0015  10  DG  C "O4'" 
1970 C "C3'" . DG  C 10  ? 0.3449 0.1936 0.1503 -0.0702 -0.0136 0.0047  10  DG  C "C3'" 
1971 O "O3'" . DG  C 10  ? 0.4244 0.2683 0.2342 -0.0831 -0.0172 0.0045  10  DG  C "O3'" 
1972 C "C2'" . DG  C 10  ? 0.3171 0.2064 0.1575 -0.0669 -0.0108 0.0087  10  DG  C "C2'" 
1973 C "C1'" . DG  C 10  ? 0.3304 0.2369 0.1838 -0.0775 -0.0265 0.0068  10  DG  C "C1'" 
1974 N N9    . DG  C 10  ? 0.2632 0.1983 0.1362 -0.0717 -0.0284 0.0087  10  DG  C N9    
1975 C C8    . DG  C 10  ? 0.2650 0.2320 0.1667 -0.0771 -0.0353 0.0106  10  DG  C C8    
1976 N N7    . DG  C 10  ? 0.2168 0.2003 0.1265 -0.0683 -0.0355 0.0120  10  DG  C N7    
1977 C C5    . DG  C 10  ? 0.2229 0.1844 0.1094 -0.0583 -0.0283 0.0111  10  DG  C C5    
1978 C C6    . DG  C 10  ? 0.2100 0.1731 0.0925 -0.0475 -0.0245 0.0125  10  DG  C C6    
1979 O O6    . DG  C 10  ? 0.2143 0.1968 0.1098 -0.0436 -0.0281 0.0140  10  DG  C O6    
1980 N N1    . DG  C 10  ? 0.2677 0.2055 0.1281 -0.0404 -0.0142 0.0129  10  DG  C N1    
1981 C C2    . DG  C 10  ? 0.2429 0.1569 0.0859 -0.0413 -0.0082 0.0118  10  DG  C C2    
1982 N N2    . DG  C 10  ? 0.2565 0.1505 0.0820 -0.0318 0.0042  0.0137  10  DG  C N2    
1983 N N3    . DG  C 10  ? 0.2695 0.1783 0.1117 -0.0503 -0.0129 0.0097  10  DG  C N3    
1984 C C4    . DG  C 10  ? 0.2707 0.2040 0.1358 -0.0596 -0.0231 0.0095  10  DG  C C4    
1985 P P     . DG  C 11  ? 0.4358 0.2786 0.2520 -0.0800 -0.0039 0.0088  11  DG  C P     
1986 O OP1   . DG  C 11  ? 0.5362 0.3542 0.3385 -0.0935 -0.0089 0.0071  11  DG  C OP1   
1987 O OP2   . DG  C 11  ? 0.4951 0.3286 0.3005 -0.0628 0.0093  0.0106  11  DG  C OP2   
1988 O "O5'" . DG  C 11  ? 0.3888 0.2734 0.2433 -0.0816 -0.0020 0.0134  11  DG  C "O5'" 
1989 C "C5'" . DG  C 11  ? 0.3965 0.3015 0.2726 -0.0953 -0.0101 0.0145  11  DG  C "C5'" 
1990 C "C4'" . DG  C 11  ? 0.3514 0.2924 0.2568 -0.0901 -0.0054 0.0190  11  DG  C "C4'" 
1991 O "O4'" . DG  C 11  ? 0.3088 0.2637 0.2183 -0.0820 -0.0094 0.0175  11  DG  C "O4'" 
1992 C "C3'" . DG  C 11  ? 0.3396 0.2797 0.2447 -0.0789 0.0066  0.0224  11  DG  C "C3'" 
1993 O "O3'" . DG  C 11  ? 0.3744 0.3252 0.2924 -0.0829 0.0117  0.0270  11  DG  C "O3'" 
1994 C "C2'" . DG  C 11  ? 0.2529 0.2114 0.1680 -0.0671 0.0074  0.0225  11  DG  C "C2'" 
1995 C "C1'" . DG  C 11  ? 0.2074 0.1810 0.1312 -0.0721 -0.0021 0.0208  11  DG  C "C1'" 
1996 N N9    . DG  C 11  ? 0.1798 0.1568 0.1008 -0.0626 -0.0030 0.0194  11  DG  C N9    
1997 C C8    . DG  C 11  ? 0.1875 0.1466 0.0927 -0.0545 0.0022  0.0183  11  DG  C C8    
1998 N N7    . DG  C 11  ? 0.1787 0.1448 0.0864 -0.0479 0.0022  0.0186  11  DG  C N7    
1999 C C5    . DG  C 11  ? 0.1651 0.1538 0.0888 -0.0502 -0.0043 0.0193  11  DG  C C5    
2000 C C6    . DG  C 11  ? 0.1555 0.1568 0.0852 -0.0445 -0.0072 0.0198  11  DG  C C6    
2001 O O6    . DG  C 11  ? 0.1573 0.1511 0.0794 -0.0379 -0.0042 0.0200  11  DG  C O6    
2002 N N1    . DG  C 11  ? 0.1458 0.1696 0.0919 -0.0466 -0.0125 0.0211  11  DG  C N1    
2003 C C2    . DG  C 11  ? 0.1852 0.2201 0.1441 -0.0546 -0.0134 0.0226  11  DG  C C2    
2004 N N2    . DG  C 11  ? 0.1360 0.1955 0.1137 -0.0542 -0.0161 0.0253  11  DG  C N2    
2005 N N3    . DG  C 11  ? 0.1544 0.1762 0.1078 -0.0619 -0.0105 0.0223  11  DG  C N3    
2006 C C4    . DG  C 11  ? 0.1645 0.1624 0.0987 -0.0587 -0.0068 0.0202  11  DG  C C4    
2007 P P     . DT  C 12  ? 0.3457 0.2710 0.2474 -0.0835 0.0197  0.0293  12  DT  C P     
2008 O OP1   . DT  C 12  ? 0.3868 0.3257 0.3023 -0.0867 0.0261  0.0352  12  DT  C OP1   
2009 O OP2   . DT  C 12  ? 0.2948 0.1896 0.1749 -0.0924 0.0159  0.0259  12  DT  C OP2   
2010 O "O5'" . DT  C 12  ? 0.3888 0.3047 0.2789 -0.0666 0.0243  0.0284  12  DT  C "O5'" 
2011 C "C5'" . DT  C 12  ? 0.2657 0.1869 0.1592 -0.0563 0.0291  0.0315  12  DT  C "C5'" 
2012 C "C4'" . DT  C 12  ? 0.2556 0.1736 0.1463 -0.0426 0.0295  0.0299  12  DT  C "C4'" 
2013 O "O4'" . DT  C 12  ? 0.2303 0.1260 0.1046 -0.0356 0.0341  0.0313  12  DT  C "O4'" 
2014 C "C3'" . DT  C 12  ? 0.2933 0.2320 0.2001 -0.0333 0.0270  0.0306  12  DT  C "C3'" 
2015 O "O3'" . DT  C 12  ? 0.3396 0.2817 0.2523 -0.0268 0.0263  0.0290  12  DT  C "O3'" 
2016 C "C2'" . DT  C 12  ? 0.2335 0.1625 0.1324 -0.0248 0.0289  0.0331  12  DT  C "C2'" 
2017 C "C1'" . DT  C 12  ? 0.2262 0.1299 0.1071 -0.0237 0.0334  0.0332  12  DT  C "C1'" 
2018 N N1    . DT  C 12  ? 0.2430 0.1270 0.1065 -0.0212 0.0373  0.0363  12  DT  C N1    
2019 C C2    . DT  C 12  ? 0.3156 0.1947 0.1739 -0.0320 0.0413  0.0389  12  DT  C C2    
2020 O O2    . DT  C 12  ? 0.2434 0.1370 0.1143 -0.0436 0.0404  0.0386  12  DT  C O2    
2021 N N3    . DT  C 12  ? 0.2740 0.1355 0.1185 -0.0270 0.0450  0.0408  12  DT  C N3    
2022 C C4    . DT  C 12  ? 0.3722 0.2162 0.2011 -0.0127 0.0449  0.0413  12  DT  C C4    
2023 O O4    . DT  C 12  ? 0.3106 0.1377 0.1254 -0.0086 0.0481  0.0426  12  DT  C O4    
2024 C C5    . DT  C 12  ? 0.2913 0.1409 0.1255 -0.0022 0.0406  0.0401  12  DT  C C5    
2025 C C7    . DT  C 12  ? 0.3532 0.1905 0.1782 0.0152  0.0386  0.0411  12  DT  C C7    
2026 C C6    . DT  C 12  ? 0.2549 0.1263 0.1093 -0.0073 0.0374  0.0372  12  DT  C C6    
2027 P P     . DT  C 13  ? 0.3733 0.3340 0.3001 -0.0286 0.0225  0.0276  13  DT  C P     
2028 O OP1   . DT  C 13  ? 0.3401 0.3013 0.2623 -0.0392 0.0203  0.0264  13  DT  C OP1   
2029 O OP2   . DT  C 13  ? 0.3294 0.3048 0.2692 -0.0231 0.0183  0.0284  13  DT  C OP2   
2030 O "O5'" . DT  C 13  ? 0.3342 0.2891 0.2603 -0.0239 0.0263  0.0272  13  DT  C "O5'" 
2031 C "C5'" . DT  C 13  ? 0.2545 0.2186 0.1964 -0.0159 0.0274  0.0289  13  DT  C "C5'" 
2032 C "C4'" . DT  C 13  ? 0.2277 0.1981 0.1763 -0.0165 0.0293  0.0291  13  DT  C "C4'" 
2033 O "O4'" . DT  C 13  ? 0.2371 0.2196 0.1908 -0.0211 0.0225  0.0277  13  DT  C "O4'" 
2034 C "C3'" . DT  C 13  ? 0.3131 0.2663 0.2415 -0.0182 0.0347  0.0281  13  DT  C "C3'" 
2035 O "O3'" . DT  C 13  ? 0.4419 0.3958 0.3749 -0.0140 0.0411  0.0303  13  DT  C "O3'" 
2036 C "C2'" . DT  C 13  ? 0.3552 0.3119 0.2770 -0.0269 0.0266  0.0253  13  DT  C "C2'" 
2037 C "C1'" . DT  C 13  ? 0.2561 0.2327 0.1972 -0.0255 0.0227  0.0263  13  DT  C "C1'" 
2038 N N1    . DT  C 13  ? 0.1587 0.1466 0.1015 -0.0303 0.0154  0.0249  13  DT  C N1    
2039 C C2    . DT  C 13  ? 0.1595 0.1551 0.1061 -0.0291 0.0125  0.0248  13  DT  C C2    
2040 O O2    . DT  C 13  ? 0.1580 0.1499 0.1059 -0.0257 0.0161  0.0260  13  DT  C O2    
2041 N N3    . DT  C 13  ? 0.1308 0.1381 0.0801 -0.0313 0.0067  0.0243  13  DT  C N3    
2042 C C4    . DT  C 13  ? 0.1266 0.1408 0.0786 -0.0357 0.0048  0.0245  13  DT  C C4    
2043 O O4    . DT  C 13  ? 0.1778 0.2058 0.1363 -0.0364 0.0014  0.0252  13  DT  C O4    
2044 C C5    . DT  C 13  ? 0.1357 0.1393 0.0828 -0.0389 0.0086  0.0248  13  DT  C C5    
2045 C C7    . DT  C 13  ? 0.1527 0.1602 0.1022 -0.0451 0.0090  0.0264  13  DT  C C7    
2046 C C6    . DT  C 13  ? 0.2109 0.2009 0.1520 -0.0354 0.0130  0.0246  13  DT  C C6    
2047 P P     . DG  C 14  ? 0.4335 0.3762 0.3644 -0.0046 0.0548  0.0342  14  DG  C P     
2048 O OP1   . DG  C 14  ? 0.5002 0.4612 0.4614 0.0005  0.0561  0.0379  14  DG  C OP1   
2049 O OP2   . DG  C 14  ? 0.3068 0.2233 0.2073 -0.0033 0.0576  0.0320  14  DG  C OP2   
2050 O "O5'" . DG  C 14  ? 0.4216 0.3618 0.3506 -0.0032 0.0619  0.0367  14  DG  C "O5'" 
2051 C "C5'" . DG  C 14  ? 0.3843 0.3045 0.2828 -0.0048 0.0613  0.0340  14  DG  C "C5'" 
2052 C "C4'" . DG  C 14  ? 0.3152 0.2289 0.2109 0.0010  0.0729  0.0383  14  DG  C "C4'" 
2053 O "O4'" . DG  C 14  ? 0.2528 0.1811 0.1628 -0.0039 0.0675  0.0391  14  DG  C "O4'" 
2054 C "C3'" . DG  C 14  ? 0.3205 0.2069 0.1819 0.0054  0.0736  0.0346  14  DG  C "C3'" 
2055 O "O3'" . DG  C 14  ? 0.3208 0.2008 0.1856 0.0150  0.0882  0.0388  14  DG  C "O3'" 
2056 C "C2'" . DG  C 14  ? 0.3074 0.1957 0.1598 -0.0009 0.0618  0.0319  14  DG  C "C2'" 
2057 C "C1'" . DG  C 14  ? 0.2488 0.1613 0.1328 -0.0034 0.0643  0.0367  14  DG  C "C1'" 
2058 N N9    . DG  C 14  ? 0.2114 0.1371 0.1005 -0.0100 0.0504  0.0338  14  DG  C N9    
2059 C C8    . DG  C 14  ? 0.2031 0.1343 0.0982 -0.0101 0.0491  0.0356  14  DG  C C8    
2060 N N7    . DG  C 14  ? 0.2055 0.1497 0.1054 -0.0139 0.0357  0.0320  14  DG  C N7    
2061 C C5    . DG  C 14  ? 0.1836 0.1329 0.0834 -0.0179 0.0284  0.0282  14  DG  C C5    
2062 C C6    . DG  C 14  ? 0.1813 0.1458 0.0882 -0.0228 0.0164  0.0249  14  DG  C C6    
2063 O O6    . DG  C 14  ? 0.1685 0.1455 0.0819 -0.0226 0.0094  0.0245  14  DG  C O6    
2064 N N1    . DG  C 14  ? 0.1727 0.1355 0.0775 -0.0273 0.0142  0.0229  14  DG  C N1    
2065 C C2    . DG  C 14  ? 0.2007 0.1467 0.0946 -0.0259 0.0217  0.0232  14  DG  C C2    
2066 N N2    . DG  C 14  ? 0.1909 0.1335 0.0814 -0.0311 0.0183  0.0211  14  DG  C N2    
2067 N N3    . DG  C 14  ? 0.1993 0.1317 0.0859 -0.0192 0.0334  0.0262  14  DG  C N3    
2068 C C4    . DG  C 14  ? 0.2150 0.1514 0.1069 -0.0161 0.0366  0.0289  14  DG  C C4    
2069 P P     . DG  C 15  ? 0.3635 0.2096 0.1916 0.0241  0.0936  0.0364  15  DG  C P     
2070 O OP1   . DG  C 15  ? 0.3514 0.1948 0.1904 0.0352  0.1123  0.0428  15  DG  C OP1   
2071 O OP2   . DG  C 15  ? 0.3770 0.1999 0.1739 0.0227  0.0843  0.0299  15  DG  C OP2   
2072 O "O5'" . DG  C 15  ? 0.3623 0.2053 0.1798 0.0210  0.0863  0.0349  15  DG  C "O5'" 
2073 C "C5'" . DG  C 15  ? 0.3045 0.1609 0.1431 0.0216  0.0940  0.0402  15  DG  C "C5'" 
2074 C "C4'" . DG  C 15  ? 0.3171 0.1662 0.1386 0.0194  0.0844  0.0377  15  DG  C "C4'" 
2075 O "O4'" . DG  C 15  ? 0.2855 0.1520 0.1145 0.0098  0.0688  0.0348  15  DG  C "O4'" 
2076 C "C3'" . DG  C 15  ? 0.3496 0.1655 0.1289 0.0255  0.0794  0.0326  15  DG  C "C3'" 
2077 O "O3'" . DG  C 15  ? 0.3683 0.1714 0.1344 0.0306  0.0821  0.0340  15  DG  C "O3'" 
2078 C "C2'" . DG  C 15  ? 0.3405 0.1610 0.1106 0.0168  0.0592  0.0266  15  DG  C "C2'" 
2079 C "C1'" . DG  C 15  ? 0.3421 0.1935 0.1423 0.0094  0.0554  0.0295  15  DG  C "C1'" 
2080 N N9    . DG  C 15  ? 0.2845 0.1509 0.0896 0.0003  0.0403  0.0262  15  DG  C N9    
2081 C C8    . DG  C 15  ? 0.2889 0.1505 0.0855 -0.0049 0.0330  0.0222  15  DG  C C8    
2082 N N7    . DG  C 15  ? 0.3183 0.1982 0.1260 -0.0139 0.0197  0.0201  15  DG  C N7    
2083 C C5    . DG  C 15  ? 0.2791 0.1769 0.1031 -0.0126 0.0180  0.0223  15  DG  C C5    
2084 C C6    . DG  C 15  ? 0.2339 0.1583 0.0801 -0.0171 0.0064  0.0210  15  DG  C C6    
2085 O O6    . DG  C 15  ? 0.2153 0.1561 0.0751 -0.0238 -0.0033 0.0184  15  DG  C O6    
2086 N N1    . DG  C 15  ? 0.2475 0.1768 0.0985 -0.0121 0.0089  0.0240  15  DG  C N1    
2087 C C2    . DG  C 15  ? 0.2379 0.1493 0.0763 -0.0059 0.0213  0.0282  15  DG  C C2    
2088 N N2    . DG  C 15  ? 0.2337 0.1489 0.0773 -0.0029 0.0219  0.0308  15  DG  C N2    
2089 N N3    . DG  C 15  ? 0.2612 0.1528 0.0862 -0.0021 0.0331  0.0297  15  DG  C N3    
2090 C C4    . DG  C 15  ? 0.2922 0.1777 0.1093 -0.0048 0.0306  0.0265  15  DG  C C4    
2091 O "O5'" A DG  D 1   ? 0.1191 0.0879 0.1344 0.0195  0.0171  -0.0191 1   DG  D "O5'" 
2092 O "O5'" B DG  D 1   ? 0.1266 0.0830 0.1319 0.0224  -0.0007 -0.0082 1   DG  D "O5'" 
2093 C "C5'" A DG  D 1   ? 0.1953 0.1506 0.2007 0.0207  0.0077  -0.0132 1   DG  D "C5'" 
2094 C "C5'" B DG  D 1   ? 0.1889 0.1395 0.1975 0.0235  0.0065  -0.0140 1   DG  D "C5'" 
2095 C "C4'" A DG  D 1   ? 0.1798 0.1219 0.1665 0.0142  0.0116  -0.0136 1   DG  D "C4'" 
2096 C "C4'" B DG  D 1   ? 0.1819 0.1229 0.1696 0.0149  0.0115  -0.0138 1   DG  D "C4'" 
2097 O "O4'" A DG  D 1   ? 0.1804 0.1334 0.1579 0.0066  0.0157  -0.0147 1   DG  D "O4'" 
2098 O "O4'" B DG  D 1   ? 0.1259 0.0810 0.1076 0.0086  0.0152  -0.0145 1   DG  D "O4'" 
2099 C "C3'" A DG  D 1   ? 0.1821 0.1048 0.1515 0.0113  0.0057  -0.0081 1   DG  D "C3'" 
2100 C "C3'" B DG  D 1   ? 0.1800 0.1028 0.1489 0.0108  0.0061  -0.0083 1   DG  D "C3'" 
2101 O "O3'" A DG  D 1   ? 0.1839 0.0915 0.1413 0.0057  0.0115  -0.0114 1   DG  D "O3'" 
2102 O "O3'" B DG  D 1   ? 0.1894 0.0968 0.1467 0.0056  0.0117  -0.0115 1   DG  D "O3'" 
2103 C "C2'" A DG  D 1   ? 0.1432 0.0772 0.1046 0.0040  0.0054  -0.0054 1   DG  D "C2'" 
2104 C "C2'" B DG  D 1   ? 0.1674 0.1032 0.1292 0.0033  0.0068  -0.0064 1   DG  D "C2'" 
2105 C "C1'" A DG  D 1   ? 0.1287 0.0794 0.0947 0.0009  0.0122  -0.0112 1   DG  D "C1'" 
2106 C "C1'" B DG  D 1   ? 0.1543 0.1064 0.1223 0.0018  0.0132  -0.0122 1   DG  D "C1'" 
2107 N N9    A DG  D 1   ? 0.1349 0.1018 0.1031 0.0001  0.0110  -0.0103 1   DG  D N9    
2108 N N9    B DG  D 1   ? 0.1429 0.1104 0.1110 -0.0001 0.0120  -0.0115 1   DG  D N9    
2109 C C8    A DG  D 1   ? 0.1265 0.1036 0.0906 -0.0039 0.0124  -0.0142 1   DG  D C8    
2110 C C8    B DG  D 1   ? 0.1254 0.1019 0.0885 -0.0046 0.0133  -0.0156 1   DG  D C8    
2111 N N7    A DG  D 1   ? 0.0970 0.0839 0.0631 -0.0018 0.0097  -0.0125 1   DG  D N7    
2112 N N7    B DG  D 1   ? 0.1530 0.1398 0.1176 -0.0031 0.0103  -0.0143 1   DG  D N7    
2113 C C5    A DG  D 1   ? 0.1285 0.1133 0.1009 0.0019  0.0078  -0.0077 1   DG  D C5    
2114 C C5    B DG  D 1   ? 0.1186 0.1039 0.0889 0.0008  0.0085  -0.0090 1   DG  D C5    
2115 C C6    A DG  D 1   ? 0.1060 0.0973 0.0824 0.0040  0.0054  -0.0049 1   DG  D C6    
2116 C C6    B DG  D 1   ? 0.1106 0.1025 0.0838 0.0028  0.0059  -0.0061 1   DG  D C6    
2117 O O6    A DG  D 1   ? 0.1040 0.1012 0.0770 0.0038  0.0049  -0.0053 1   DG  D O6    
2118 O O6    B DG  D 1   ? 0.0827 0.0809 0.0526 0.0026  0.0047  -0.0069 1   DG  D O6    
2119 N N1    A DG  D 1   ? 0.0880 0.0773 0.0737 0.0074  0.0022  -0.0024 1   DG  D N1    
2120 N N1    B DG  D 1   ? 0.1016 0.0916 0.0833 0.0059  0.0033  -0.0030 1   DG  D N1    
2121 C C2    A DG  D 1   ? 0.1112 0.0920 0.1018 0.0106  -0.0002 -0.0023 1   DG  D C2    
2122 C C2    B DG  D 1   ? 0.1073 0.0898 0.0951 0.0091  0.0016  -0.0028 1   DG  D C2    
2123 N N2    A DG  D 1   ? 0.0991 0.0810 0.1017 0.0157  -0.0067 -0.0013 1   DG  D N2    
2124 N N2    B DG  D 1   ? 0.0955 0.0799 0.0951 0.0136  -0.0039 -0.0015 1   DG  D N2    
2125 N N3    A DG  D 1   ? 0.1124 0.0833 0.0969 0.0095  0.0024  -0.0039 1   DG  D N3    
2126 N N3    B DG  D 1   ? 0.1215 0.0946 0.1051 0.0085  0.0041  -0.0048 1   DG  D N3    
2127 C C4    A DG  D 1   ? 0.1228 0.0969 0.0982 0.0040  0.0072  -0.0067 1   DG  D C4    
2128 C C4    B DG  D 1   ? 0.1202 0.0954 0.0944 0.0032  0.0084  -0.0077 1   DG  D C4    
2129 P P     . DG  D 2   ? 0.2517 0.1312 0.1849 -0.0013 0.0103  -0.0074 2   DG  D P     
2130 O OP1   . DG  D 2   ? 0.2563 0.1176 0.1829 -0.0035 0.0160  -0.0121 2   DG  D OP1   
2131 O OP2   . DG  D 2   ? 0.2727 0.1383 0.1992 0.0051  -0.0008 0.0005  2   DG  D OP2   
2132 O "O5'" . DG  D 2   ? 0.2462 0.1386 0.1710 -0.0144 0.0158  -0.0093 2   DG  D "O5'" 
2133 C "C5'" . DG  D 2   ? 0.2398 0.1494 0.1705 -0.0209 0.0226  -0.0177 2   DG  D "C5'" 
2134 C "C4'" . DG  D 2   ? 0.1640 0.0913 0.0954 -0.0290 0.0242  -0.0207 2   DG  D "C4'" 
2135 O "O4'" . DG  D 2   ? 0.1512 0.0961 0.0929 -0.0217 0.0188  -0.0172 2   DG  D "O4'" 
2136 C "C3'" . DG  D 2   ? 0.2258 0.1374 0.1410 -0.0390 0.0274  -0.0186 2   DG  D "C3'" 
2137 O "O3'" . DG  D 2   ? 0.2686 0.1759 0.1780 -0.0524 0.0366  -0.0273 2   DG  D "O3'" 
2138 C "C2'" . DG  D 2   ? 0.1987 0.1306 0.1210 -0.0390 0.0253  -0.0184 2   DG  D "C2'" 
2139 C "C1'" . DG  D 2   ? 0.1556 0.1100 0.0960 -0.0282 0.0199  -0.0190 2   DG  D "C1'" 
2140 N N9    . DG  D 2   ? 0.1501 0.1120 0.0951 -0.0212 0.0142  -0.0132 2   DG  D N9    
2141 C C8    . DG  D 2   ? 0.1979 0.1481 0.1392 -0.0154 0.0087  -0.0053 2   DG  D C8    
2142 N N7    . DG  D 2   ? 0.1459 0.1080 0.0943 -0.0110 0.0048  -0.0030 2   DG  D N7    
2143 C C5    . DG  D 2   ? 0.1265 0.1061 0.0815 -0.0129 0.0076  -0.0087 2   DG  D C5    
2144 C C6    . DG  D 2   ? 0.1330 0.1263 0.0944 -0.0094 0.0053  -0.0091 2   DG  D C6    
2145 O O6    . DG  D 2   ? 0.0903 0.0841 0.0532 -0.0059 0.0020  -0.0048 2   DG  D O6    
2146 N N1    . DG  D 2   ? 0.0872 0.0933 0.0533 -0.0100 0.0059  -0.0163 2   DG  D N1    
2147 C C2    . DG  D 2   ? 0.1510 0.1602 0.1184 -0.0144 0.0084  -0.0234 2   DG  D C2    
2148 N N2    . DG  D 2   ? 0.0913 0.1154 0.0661 -0.0126 0.0051  -0.0314 2   DG  D N2    
2149 N N3    . DG  D 2   ? 0.1307 0.1280 0.0924 -0.0198 0.0126  -0.0236 2   DG  D N3    
2150 C C4    . DG  D 2   ? 0.1100 0.0913 0.0644 -0.0183 0.0121  -0.0154 2   DG  D C4    
2151 P P     . DT  D 3   ? 0.3531 0.2226 0.2348 -0.0642 0.0437  -0.0250 3   DT  D P     
2152 O OP1   . DT  D 3   ? 0.3711 0.2441 0.2541 -0.0788 0.0548  -0.0371 3   DT  D OP1   
2153 O OP2   . DT  D 3   ? 0.3464 0.1863 0.2154 -0.0530 0.0361  -0.0151 3   DT  D OP2   
2154 O "O5'" . DT  D 3   ? 0.3026 0.1681 0.1716 -0.0708 0.0456  -0.0216 3   DT  D "O5'" 
2155 C "C5'" . DT  D 3   ? 0.3835 0.2141 0.2202 -0.0780 0.0490  -0.0160 3   DT  D "C5'" 
2156 C "C4'" . DT  D 3   ? 0.3162 0.1533 0.1459 -0.0839 0.0518  -0.0168 3   DT  D "C4'" 
2157 O "O4'" . DT  D 3   ? 0.3609 0.2290 0.2103 -0.0949 0.0637  -0.0312 3   DT  D "O4'" 
2158 C "C3'" . DT  D 3   ? 0.2970 0.1474 0.1381 -0.0730 0.0411  -0.0097 3   DT  D "C3'" 
2159 O "O3'" . DT  D 3   ? 0.3404 0.1622 0.1590 -0.0642 0.0293  0.0021  3   DT  D "O3'" 
2160 C "C2'" . DT  D 3   ? 0.2781 0.1503 0.1266 -0.0826 0.0497  -0.0181 3   DT  D "C2'" 
2161 C "C1'" . DT  D 3   ? 0.2613 0.1519 0.1252 -0.0936 0.0620  -0.0334 3   DT  D "C1'" 
2162 N N1    . DT  D 3   ? 0.2180 0.1492 0.1190 -0.0875 0.0588  -0.0419 3   DT  D N1    
2163 C C2    . DT  D 3   ? 0.3141 0.2733 0.2342 -0.0839 0.0573  -0.0472 3   DT  D C2    
2164 O O2    . DT  D 3   ? 0.3725 0.3260 0.2840 -0.0877 0.0601  -0.0452 3   DT  D O2    
2165 N N3    . DT  D 3   ? 0.3036 0.2942 0.2522 -0.0743 0.0502  -0.0541 3   DT  D N3    
2166 C C4    . DT  D 3   ? 0.3042 0.3011 0.2618 -0.0695 0.0453  -0.0567 3   DT  D C4    
2167 O O4    . DT  D 3   ? 0.3513 0.3720 0.3281 -0.0610 0.0375  -0.0624 3   DT  D O4    
2168 C C5    . DT  D 3   ? 0.2933 0.2628 0.2323 -0.0749 0.0493  -0.0521 3   DT  D C5    
2169 C C7    . DT  D 3   ? 0.3293 0.3018 0.2748 -0.0712 0.0458  -0.0555 3   DT  D C7    
2170 C C6    . DT  D 3   ? 0.2137 0.1515 0.1264 -0.0829 0.0555  -0.0449 3   DT  D C6    
2171 P P     . DT  D 4   ? 0.3270 0.1590 0.1624 -0.0449 0.0126  0.0102  4   DT  D P     
2172 O OP1   . DT  D 4   ? 0.3779 0.1766 0.1906 -0.0371 0.0000  0.0189  4   DT  D OP1   
2173 O OP2   . DT  D 4   ? 0.3469 0.2066 0.2142 -0.0364 0.0125  0.0051  4   DT  D OP2   
2174 O "O5'" . DT  D 4   ? 0.2385 0.0946 0.0834 -0.0454 0.0119  0.0090  4   DT  D "O5'" 
2175 C "C5'" . DT  D 4   ? 0.2627 0.1005 0.0829 -0.0511 0.0104  0.0123  4   DT  D "C5'" 
2176 C "C4'" . DT  D 4   ? 0.3090 0.1587 0.1379 -0.0408 -0.0018 0.0172  4   DT  D "C4'" 
2177 O "O4'" . DT  D 4   ? 0.2123 0.0972 0.0665 -0.0413 0.0041  0.0107  4   DT  D "O4'" 
2178 C "C3'" . DT  D 4   ? 0.2373 0.0908 0.0828 -0.0241 -0.0170 0.0225  4   DT  D "C3'" 
2179 O "O3'" . DT  D 4   ? 0.2625 0.1148 0.1048 -0.0188 -0.0289 0.0259  4   DT  D "O3'" 
2180 C "C2'" . DT  D 4   ? 0.1954 0.0868 0.0774 -0.0196 -0.0115 0.0159  4   DT  D "C2'" 
2181 C "C1'" . DT  D 4   ? 0.1825 0.0901 0.0654 -0.0279 -0.0036 0.0113  4   DT  D "C1'" 
2182 N N1    . DT  D 4   ? 0.1754 0.1107 0.0807 -0.0290 0.0048  0.0031  4   DT  D N1    
2183 C C2    . DT  D 4   ? 0.1313 0.0888 0.0545 -0.0231 0.0026  0.0013  4   DT  D C2    
2184 O O2    . DT  D 4   ? 0.1537 0.1119 0.0783 -0.0182 -0.0043 0.0054  4   DT  D O2    
2185 N N3    . DT  D 4   ? 0.1395 0.1166 0.0777 -0.0232 0.0076  -0.0060 4   DT  D N3    
2186 C C4    . DT  D 4   ? 0.1593 0.1405 0.1004 -0.0287 0.0140  -0.0131 4   DT  D C4    
2187 O O4    . DT  D 4   ? 0.1257 0.1252 0.0810 -0.0267 0.0146  -0.0202 4   DT  D O4    
2188 C C5    . DT  D 4   ? 0.1505 0.1105 0.0751 -0.0369 0.0184  -0.0119 4   DT  D C5    
2189 C C7    . DT  D 4   ? 0.1634 0.1263 0.0908 -0.0456 0.0267  -0.0209 4   DT  D C7    
2190 C C6    . DT  D 4   ? 0.1655 0.1013 0.0709 -0.0366 0.0139  -0.0033 4   DT  D C6    
2191 P P     . DG  D 5   ? 0.3013 0.1539 0.1587 -0.0027 -0.0472 0.0289  5   DG  D P     
2192 O OP1   . DG  D 5   ? 0.2573 0.1071 0.1070 -0.0028 -0.0558 0.0292  5   DG  D OP1   
2193 O OP2   . DG  D 5   ? 0.3014 0.1324 0.1516 0.0022  -0.0508 0.0303  5   DG  D OP2   
2194 O "O5'" . DG  D 5   ? 0.3605 0.2500 0.2552 0.0028  -0.0438 0.0245  5   DG  D "O5'" 
2195 C "C5'" . DG  D 5   ? 0.4136 0.3179 0.3364 0.0144  -0.0513 0.0222  5   DG  D "C5'" 
2196 C "C4'" . DG  D 5   ? 0.2924 0.2086 0.2263 0.0187  -0.0625 0.0217  5   DG  D "C4'" 
2197 O "O4'" . DG  D 5   ? 0.2048 0.1402 0.1432 0.0111  -0.0531 0.0193  5   DG  D "O4'" 
2198 C "C3'" . DG  D 5   ? 0.2050 0.1417 0.1758 0.0295  -0.0678 0.0158  5   DG  D "C3'" 
2199 O "O3'" . DG  D 5   ? 0.2257 0.1673 0.2048 0.0339  -0.0812 0.0141  5   DG  D "O3'" 
2200 C "C2'" . DG  D 5   ? 0.1354 0.0979 0.1246 0.0239  -0.0516 0.0110  5   DG  D "C2'" 
2201 C "C1'" . DG  D 5   ? 0.1427 0.1041 0.1132 0.0152  -0.0493 0.0137  5   DG  D "C1'" 
2202 N N9    . DG  D 5   ? 0.1264 0.0997 0.0977 0.0088  -0.0352 0.0117  5   DG  D N9    
2203 C C8    . DG  D 5   ? 0.1034 0.0880 0.0779 0.0052  -0.0315 0.0099  5   DG  D C8    
2204 N N7    . DG  D 5   ? 0.0965 0.0866 0.0689 0.0021  -0.0216 0.0083  5   DG  D N7    
2205 C C5    . DG  D 5   ? 0.0961 0.0805 0.0642 0.0021  -0.0181 0.0083  5   DG  D C5    
2206 C C6    . DG  D 5   ? 0.0899 0.0782 0.0560 -0.0003 -0.0102 0.0055  5   DG  D C6    
2207 O O6    . DG  D 5   ? 0.0815 0.0783 0.0486 -0.0012 -0.0063 0.0027  5   DG  D O6    
2208 N N1    . DG  D 5   ? 0.0982 0.0779 0.0601 -0.0010 -0.0087 0.0053  5   DG  D N1    
2209 C C2    . DG  D 5   ? 0.1871 0.1526 0.1453 0.0017  -0.0143 0.0084  5   DG  D C2    
2210 N N2    . DG  D 5   ? 0.1231 0.0779 0.0753 0.0003  -0.0111 0.0076  5   DG  D N2    
2211 N N3    . DG  D 5   ? 0.1574 0.1183 0.1175 0.0061  -0.0239 0.0114  5   DG  D N3    
2212 C C4    . DG  D 5   ? 0.1131 0.0856 0.0791 0.0055  -0.0252 0.0108  5   DG  D C4    
2213 P P     . DG  D 6   ? 0.3459 0.3087 0.3655 0.0441  -0.0871 0.0050  6   DG  D P     
2214 O OP1   . DG  D 6   ? 0.3302 0.2878 0.3473 0.0474  -0.1014 0.0035  6   DG  D OP1   
2215 O OP2   . DG  D 6   ? 0.3049 0.2636 0.3343 0.0502  -0.0824 0.0032  6   DG  D OP2   
2216 O "O5'" . DG  D 6   ? 0.3086 0.3014 0.3559 0.0399  -0.0767 -0.0014 6   DG  D "O5'" 
2217 C "C5'" . DG  D 6   ? 0.2240 0.2245 0.2673 0.0333  -0.0781 -0.0015 6   DG  D "C5'" 
2218 C "C4'" . DG  D 6   ? 0.1052 0.1256 0.1644 0.0257  -0.0601 -0.0067 6   DG  D "C4'" 
2219 O "O4'" . DG  D 6   ? 0.0984 0.1101 0.1362 0.0199  -0.0463 -0.0015 6   DG  D "O4'" 
2220 C "C3'" . DG  D 6   ? 0.0945 0.1345 0.1900 0.0287  -0.0523 -0.0170 6   DG  D "C3'" 
2221 O "O3'" . DG  D 6   ? 0.1380 0.1944 0.2490 0.0212  -0.0437 -0.0236 6   DG  D "O3'" 
2222 C "C2'" . DG  D 6   ? 0.1047 0.1373 0.1881 0.0262  -0.0371 -0.0142 6   DG  D "C2'" 
2223 C "C1'" . DG  D 6   ? 0.0856 0.1086 0.1394 0.0185  -0.0325 -0.0066 6   DG  D "C1'" 
2224 N N9    . DG  D 6   ? 0.1052 0.1188 0.1406 0.0160  -0.0233 -0.0027 6   DG  D N9    
2225 C C8    . DG  D 6   ? 0.1209 0.1255 0.1518 0.0193  -0.0226 -0.0017 6   DG  D C8    
2226 N N7    . DG  D 6   ? 0.1070 0.1071 0.1228 0.0151  -0.0142 0.0000  6   DG  D N7    
2227 C C5    . DG  D 6   ? 0.0786 0.0840 0.0885 0.0105  -0.0103 0.0006  6   DG  D C5    
2228 C C6    . DG  D 6   ? 0.0750 0.0793 0.0715 0.0071  -0.0043 0.0012  6   DG  D C6    
2229 O O6    . DG  D 6   ? 0.0988 0.0999 0.0872 0.0065  -0.0012 0.0005  6   DG  D O6    
2230 N N1    . DG  D 6   ? 0.0721 0.0792 0.0659 0.0050  -0.0034 0.0013  6   DG  D N1    
2231 C C2    . DG  D 6   ? 0.0718 0.0831 0.0747 0.0040  -0.0062 0.0006  6   DG  D C2    
2232 N N2    . DG  D 6   ? 0.0720 0.0823 0.0689 0.0012  -0.0039 0.0006  6   DG  D N2    
2233 N N3    . DG  D 6   ? 0.1075 0.1232 0.1251 0.0063  -0.0123 -0.0010 6   DG  D N3    
2234 C C4    . DG  D 6   ? 0.1133 0.1254 0.1337 0.0104  -0.0147 -0.0007 6   DG  D C4    
2235 P P     . DT  D 7   ? 0.1452 0.2200 0.2857 0.0224  -0.0554 -0.0335 7   DT  D P     
2236 O OP1   . DT  D 7   ? 0.2027 0.2654 0.3177 0.0207  -0.0687 -0.0263 7   DT  D OP1   
2237 O OP2   . DT  D 7   ? 0.1141 0.1942 0.2768 0.0312  -0.0612 -0.0407 7   DT  D OP2   
2238 O "O5'" . DT  D 7   ? 0.1398 0.2288 0.2949 0.0102  -0.0356 -0.0418 7   DT  D "O5'" 
2239 C "C5'" . DT  D 7   ? 0.1447 0.2430 0.3193 0.0071  -0.0179 -0.0503 7   DT  D "C5'" 
2240 C "C4'" . DT  D 7   ? 0.1943 0.2809 0.3449 -0.0048 0.0024  -0.0468 7   DT  D "C4'" 
2241 O "O4'" . DT  D 7   ? 0.0747 0.1626 0.2220 -0.0136 0.0031  -0.0483 7   DT  D "O4'" 
2242 C "C3'" . DT  D 7   ? 0.0723 0.1366 0.1831 -0.0032 0.0030  -0.0329 7   DT  D "C3'" 
2243 O "O3'" . DT  D 7   ? 0.1640 0.2178 0.2590 -0.0099 0.0206  -0.0326 7   DT  D "O3'" 
2244 C "C2'" . DT  D 7   ? 0.0732 0.1305 0.1657 -0.0059 -0.0048 -0.0268 7   DT  D "C2'" 
2245 C "C1'" . DT  D 7   ? 0.0765 0.1436 0.1858 -0.0154 0.0034  -0.0362 7   DT  D "C1'" 
2246 N N1    . DT  D 7   ? 0.0790 0.1466 0.1843 -0.0182 -0.0066 -0.0357 7   DT  D N1    
2247 C C2    . DT  D 7   ? 0.1978 0.2553 0.2880 -0.0276 0.0034  -0.0354 7   DT  D C2    
2248 O O2    . DT  D 7   ? 0.1416 0.1873 0.2192 -0.0335 0.0192  -0.0350 7   DT  D O2    
2249 N N3    . DT  D 7   ? 0.1305 0.1881 0.2171 -0.0301 -0.0062 -0.0358 7   DT  D N3    
2250 C C4    . DT  D 7   ? 0.1243 0.1894 0.2170 -0.0246 -0.0253 -0.0360 7   DT  D C4    
2251 O O4    . DT  D 7   ? 0.0973 0.1598 0.1825 -0.0284 -0.0326 -0.0370 7   DT  D O4    
2252 C C5    . DT  D 7   ? 0.0862 0.1579 0.1905 -0.0142 -0.0364 -0.0349 7   DT  D C5    
2253 C C7    . DT  D 7   ? 0.0956 0.1677 0.1991 -0.0070 -0.0592 -0.0338 7   DT  D C7    
2254 C C6    . DT  D 7   ? 0.0805 0.1538 0.1920 -0.0113 -0.0263 -0.0350 7   DT  D C6    
2255 P P     . DG  D 8   ? 0.1242 0.1720 0.2139 -0.0069 0.0287  -0.0326 8   DG  D P     
2256 O OP1   . DG  D 8   ? 0.2305 0.2644 0.2995 -0.0163 0.0459  -0.0334 8   DG  D OP1   
2257 O OP2   . DG  D 8   ? 0.1196 0.1826 0.2419 -0.0004 0.0254  -0.0413 8   DG  D OP2   
2258 O "O5'" . DG  D 8   ? 0.1039 0.1395 0.1688 -0.0002 0.0175  -0.0213 8   DG  D "O5'" 
2259 C "C5'" . DG  D 8   ? 0.0950 0.1194 0.1341 -0.0025 0.0157  -0.0140 8   DG  D "C5'" 
2260 C "C4'" . DG  D 8   ? 0.1053 0.1180 0.1220 -0.0007 0.0177  -0.0093 8   DG  D "C4'" 
2261 O "O4'" . DG  D 8   ? 0.1523 0.1664 0.1718 0.0046  0.0101  -0.0073 8   DG  D "O4'" 
2262 C "C3'" . DG  D 8   ? 0.2317 0.2371 0.2413 -0.0040 0.0304  -0.0130 8   DG  D "C3'" 
2263 O "O3'" . DG  D 8   ? 0.3138 0.3046 0.2992 -0.0075 0.0344  -0.0101 8   DG  D "O3'" 
2264 C "C2'" . DG  D 8   ? 0.2331 0.2353 0.2359 0.0004  0.0275  -0.0115 8   DG  D "C2'" 
2265 C "C1'" . DG  D 8   ? 0.1341 0.1429 0.1467 0.0053  0.0156  -0.0085 8   DG  D "C1'" 
2266 N N9    . DG  D 8   ? 0.1071 0.1197 0.1372 0.0093  0.0143  -0.0122 8   DG  D N9    
2267 C C8    . DG  D 8   ? 0.1231 0.1456 0.1784 0.0126  0.0106  -0.0168 8   DG  D C8    
2268 N N7    . DG  D 8   ? 0.1487 0.1708 0.2164 0.0184  0.0085  -0.0201 8   DG  D N7    
2269 C C5    . DG  D 8   ? 0.1562 0.1668 0.2041 0.0170  0.0127  -0.0172 8   DG  D C5    
2270 C C6    . DG  D 8   ? 0.2032 0.2058 0.2512 0.0206  0.0136  -0.0193 8   DG  D C6    
2271 O O6    . DG  D 8   ? 0.1379 0.1404 0.2038 0.0275  0.0101  -0.0236 8   DG  D O6    
2272 N N1    . DG  D 8   ? 0.1299 0.1234 0.1553 0.0161  0.0177  -0.0168 8   DG  D N1    
2273 C C2    . DG  D 8   ? 0.0931 0.0866 0.1009 0.0111  0.0190  -0.0135 8   DG  D C2    
2274 N N2    . DG  D 8   ? 0.0976 0.0849 0.0893 0.0084  0.0205  -0.0138 8   DG  D N2    
2275 N N3    . DG  D 8   ? 0.0929 0.0917 0.0998 0.0094  0.0176  -0.0112 8   DG  D N3    
2276 C C4    . DG  D 8   ? 0.0902 0.0968 0.1165 0.0116  0.0155  -0.0129 8   DG  D C4    
2277 P P     . DT  D 9   ? 0.2539 0.2258 0.2153 -0.0126 0.0465  -0.0117 9   DT  D P     
2278 O OP1   . DT  D 9   ? 0.2872 0.2495 0.2423 -0.0208 0.0561  -0.0136 9   DT  D OP1   
2279 O OP2   . DT  D 9   ? 0.2335 0.2068 0.1998 -0.0133 0.0539  -0.0167 9   DT  D OP2   
2280 O "O5'" . DT  D 9   ? 0.1744 0.1335 0.1091 -0.0067 0.0362  -0.0054 9   DT  D "O5'" 
2281 C "C5'" . DT  D 9   ? 0.1787 0.1380 0.1107 -0.0033 0.0273  -0.0017 9   DT  D "C5'" 
2282 C "C4'" . DT  D 9   ? 0.2095 0.1553 0.1175 0.0028  0.0189  0.0011  9   DT  D "C4'" 
2283 O "O4'" . DT  D 9   ? 0.1478 0.1061 0.0637 0.0075  0.0116  -0.0005 9   DT  D "O4'" 
2284 C "C3'" . DT  D 9   ? 0.2810 0.1999 0.1566 0.0007  0.0237  0.0019  9   DT  D "C3'" 
2285 O "O3'" . DT  D 9   ? 0.2664 0.1715 0.1270 0.0073  0.0125  0.0047  9   DT  D "O3'" 
2286 C "C2'" . DT  D 9   ? 0.2422 0.1670 0.1190 0.0022  0.0220  -0.0007 9   DT  D "C2'" 
2287 C "C1'" . DT  D 9   ? 0.1524 0.0977 0.0476 0.0090  0.0104  -0.0015 9   DT  D "C1'" 
2288 N N1    . DT  D 9   ? 0.1349 0.0929 0.0423 0.0088  0.0099  -0.0048 9   DT  D N1    
2289 C C2    . DT  D 9   ? 0.1526 0.1058 0.0462 0.0116  0.0036  -0.0075 9   DT  D C2    
2290 O O2    . DT  D 9   ? 0.1906 0.1319 0.0686 0.0149  -0.0034 -0.0065 9   DT  D O2    
2291 N N3    . DT  D 9   ? 0.1366 0.1007 0.0422 0.0099  0.0046  -0.0113 9   DT  D N3    
2292 C C4    . DT  D 9   ? 0.1195 0.0947 0.0461 0.0069  0.0105  -0.0116 9   DT  D C4    
2293 O O4    . DT  D 9   ? 0.1195 0.0988 0.0519 0.0054  0.0111  -0.0149 9   DT  D O4    
2294 C C5    . DT  D 9   ? 0.1459 0.1252 0.0855 0.0060  0.0142  -0.0083 9   DT  D C5    
2295 C C7    . DT  D 9   ? 0.1102 0.0983 0.0703 0.0052  0.0162  -0.0084 9   DT  D C7    
2296 C C6    . DT  D 9   ? 0.1568 0.1293 0.0877 0.0063  0.0142  -0.0057 9   DT  D C6    
2297 P P     . DG  D 10  ? 0.3060 0.1895 0.1520 0.0045  0.0158  0.0072  10  DG  D P     
2298 O OP1   . DG  D 10  ? 0.3414 0.2150 0.1835 -0.0077 0.0319  0.0055  10  DG  D OP1   
2299 O OP2   . DG  D 10  ? 0.2494 0.1144 0.0770 0.0134  0.0035  0.0085  10  DG  D OP2   
2300 O "O5'" . DG  D 10  ? 0.2887 0.1882 0.1517 0.0054  0.0149  0.0073  10  DG  D "O5'" 
2301 C "C5'" . DG  D 10  ? 0.3188 0.2282 0.1903 0.0150  0.0024  0.0067  10  DG  D "C5'" 
2302 C "C4'" . DG  D 10  ? 0.1605 0.0807 0.0495 0.0116  0.0048  0.0058  10  DG  D "C4'" 
2303 O "O4'" . DG  D 10  ? 0.1545 0.0974 0.0682 0.0052  0.0097  0.0041  10  DG  D "O4'" 
2304 C "C3'" . DG  D 10  ? 0.1537 0.0838 0.0525 0.0193  -0.0045 0.0033  10  DG  D "C3'" 
2305 O "O3'" . DG  D 10  ? 0.1754 0.0979 0.0730 0.0160  -0.0013 0.0034  10  DG  D "O3'" 
2306 C "C2'" . DG  D 10  ? 0.1224 0.0801 0.0456 0.0170  -0.0048 0.0008  10  DG  D "C2'" 
2307 C "C1'" . DG  D 10  ? 0.1457 0.1066 0.0761 0.0079  0.0035  0.0025  10  DG  D "C1'" 
2308 N N9    . DG  D 10  ? 0.1428 0.1201 0.0887 0.0062  0.0037  0.0018  10  DG  D N9    
2309 C C8    . DG  D 10  ? 0.1314 0.1197 0.0929 0.0019  0.0045  0.0014  10  DG  D C8    
2310 N N7    . DG  D 10  ? 0.0855 0.0817 0.0550 0.0027  0.0032  0.0013  10  DG  D N7    
2311 C C5    . DG  D 10  ? 0.0968 0.0893 0.0569 0.0061  0.0028  0.0008  10  DG  D C5    
2312 C C6    . DG  D 10  ? 0.1018 0.0984 0.0640 0.0071  0.0021  -0.0004 10  DG  D C6    
2313 O O6    . DG  D 10  ? 0.1020 0.1033 0.0730 0.0058  0.0023  -0.0003 10  DG  D O6    
2314 N N1    . DG  D 10  ? 0.0888 0.0811 0.0400 0.0106  -0.0001 -0.0022 10  DG  D N1    
2315 C C2    . DG  D 10  ? 0.1551 0.1378 0.0933 0.0145  -0.0034 -0.0021 10  DG  D C2    
2316 N N2    . DG  D 10  ? 0.1113 0.0901 0.0395 0.0194  -0.0092 -0.0047 10  DG  D N2    
2317 N N3    . DG  D 10  ? 0.1245 0.0995 0.0583 0.0142  -0.0023 -0.0001 10  DG  D N3    
2318 C C4    . DG  D 10  ? 0.1443 0.1260 0.0903 0.0090  0.0017  0.0010  10  DG  D C4    
2319 P P     . DG  D 11  ? 0.1541 0.0804 0.0581 0.0226  -0.0075 -0.0005 11  DG  D P     
2320 O OP1   . DG  D 11  ? 0.1748 0.0787 0.0644 0.0197  -0.0037 0.0007  11  DG  D OP1   
2321 O OP2   . DG  D 11  ? 0.1910 0.1221 0.0972 0.0342  -0.0175 -0.0043 11  DG  D OP2   
2322 O "O5'" . DG  D 11  ? 0.1419 0.0942 0.0687 0.0165  -0.0053 -0.0033 11  DG  D "O5'" 
2323 C "C5'" . DG  D 11  ? 0.1213 0.0774 0.0539 0.0068  -0.0001 -0.0022 11  DG  D "C5'" 
2324 C "C4'" . DG  D 11  ? 0.1307 0.1058 0.0772 0.0036  -0.0020 -0.0037 11  DG  D "C4'" 
2325 O "O4'" . DG  D 11  ? 0.1497 0.1337 0.1021 0.0041  -0.0026 -0.0020 11  DG  D "O4'" 
2326 C "C3'" . DG  D 11  ? 0.1326 0.1140 0.0814 0.0065  -0.0039 -0.0087 11  DG  D "C3'" 
2327 O "O3'" . DG  D 11  ? 0.1078 0.0907 0.0564 -0.0001 -0.0029 -0.0103 11  DG  D "O3'" 
2328 C "C2'" . DG  D 11  ? 0.0911 0.0850 0.0467 0.0071  -0.0049 -0.0095 11  DG  D "C2'" 
2329 C "C1'" . DG  D 11  ? 0.1327 0.1270 0.0900 0.0036  -0.0046 -0.0041 11  DG  D "C1'" 
2330 N N9    . DG  D 11  ? 0.1177 0.1174 0.0781 0.0055  -0.0050 -0.0037 11  DG  D N9    
2331 C C8    . DG  D 11  ? 0.1091 0.1098 0.0683 0.0111  -0.0066 -0.0063 11  DG  D C8    
2332 N N7    . DG  D 11  ? 0.0779 0.0839 0.0403 0.0102  -0.0064 -0.0065 11  DG  D N7    
2333 C C5    . DG  D 11  ? 0.0739 0.0805 0.0391 0.0049  -0.0048 -0.0031 11  DG  D C5    
2334 C C6    . DG  D 11  ? 0.1172 0.1250 0.0850 0.0028  -0.0043 -0.0018 11  DG  D C6    
2335 O O6    . DG  D 11  ? 0.0915 0.1011 0.0597 0.0034  -0.0034 -0.0037 11  DG  D O6    
2336 N N1    . DG  D 11  ? 0.1144 0.1193 0.0836 0.0002  -0.0064 0.0014  11  DG  D N1    
2337 C C2    . DG  D 11  ? 0.0820 0.0858 0.0513 -0.0012 -0.0088 0.0024  11  DG  D C2    
2338 N N2    . DG  D 11  ? 0.0801 0.0816 0.0513 -0.0022 -0.0142 0.0045  11  DG  D N2    
2339 N N3    . DG  D 11  ? 0.1005 0.1038 0.0672 -0.0012 -0.0074 0.0007  11  DG  D N3    
2340 C C4    . DG  D 11  ? 0.0826 0.0863 0.0470 0.0025  -0.0052 -0.0017 11  DG  D C4    
2341 P P     . DT  D 12  ? 0.1399 0.1158 0.0837 0.0000  -0.0010 -0.0159 12  DT  D P     
2342 O OP1   . DT  D 12  ? 0.1584 0.1351 0.0984 -0.0090 -0.0011 -0.0162 12  DT  D OP1   
2343 O OP2   . DT  D 12  ? 0.1262 0.0863 0.0632 0.0049  -0.0008 -0.0152 12  DT  D OP2   
2344 O "O5'" . DT  D 12  ? 0.1844 0.1696 0.1345 0.0043  0.0005  -0.0234 12  DT  D "O5'" 
2345 C "C5'" . DT  D 12  ? 0.1140 0.0999 0.0702 0.0152  -0.0024 -0.0274 12  DT  D "C5'" 
2346 C "C4'" . DT  D 12  ? 0.1149 0.1127 0.0833 0.0174  0.0008  -0.0394 12  DT  D "C4'" 
2347 O "O4'" . DT  D 12  ? 0.1261 0.1156 0.0899 0.0152  0.0049  -0.0440 12  DT  D "O4'" 
2348 C "C3'" . DT  D 12  ? 0.1513 0.1627 0.1239 0.0074  0.0073  -0.0430 12  DT  D "C3'" 
2349 O "O3'" . DT  D 12  ? 0.1008 0.1247 0.0846 0.0107  0.0052  -0.0452 12  DT  D "O3'" 
2350 C "C2'" . DT  D 12  ? 0.1996 0.2161 0.1785 0.0049  0.0152  -0.0559 12  DT  D "C2'" 
2351 C "C1'" . DT  D 12  ? 0.1370 0.1382 0.1082 0.0093  0.0131  -0.0547 12  DT  D "C1'" 
2352 N N1    . DT  D 12  ? 0.1400 0.1315 0.0950 -0.0025 0.0181  -0.0527 12  DT  D N1    
2353 C C2    . DT  D 12  ? 0.1926 0.1819 0.1466 -0.0058 0.0259  -0.0634 12  DT  D C2    
2354 O O2    . DT  D 12  ? 0.1788 0.1760 0.1495 0.0016  0.0290  -0.0745 12  DT  D O2    
2355 N N3    . DT  D 12  ? 0.2460 0.2240 0.1810 -0.0172 0.0283  -0.0600 12  DT  D N3    
2356 C C4    . DT  D 12  ? 0.1993 0.1699 0.1187 -0.0244 0.0222  -0.0493 12  DT  D C4    
2357 O O4    . DT  D 12  ? 0.2495 0.2117 0.1561 -0.0322 0.0212  -0.0464 12  DT  D O4    
2358 C C5    . DT  D 12  ? 0.2099 0.1858 0.1359 -0.0196 0.0148  -0.0399 12  DT  D C5    
2359 C C7    . DT  D 12  ? 0.1417 0.1136 0.0591 -0.0248 0.0072  -0.0301 12  DT  D C7    
2360 C C6    . DT  D 12  ? 0.1326 0.1175 0.0742 -0.0097 0.0141  -0.0415 12  DT  D C6    
2361 P P     . DT  D 13  ? 0.1046 0.1306 0.0829 0.0026  0.0064  -0.0383 13  DT  D P     
2362 O OP1   . DT  D 13  ? 0.1133 0.1266 0.0778 -0.0009 0.0036  -0.0267 13  DT  D OP1   
2363 O OP2   . DT  D 13  ? 0.1243 0.1581 0.1049 -0.0077 0.0159  -0.0465 13  DT  D OP2   
2364 O "O5'" . DT  D 13  ? 0.1001 0.1331 0.0882 0.0120  -0.0005 -0.0389 13  DT  D "O5'" 
2365 C "C5'" . DT  D 13  ? 0.1053 0.1555 0.1110 0.0140  0.0001  -0.0508 13  DT  D "C5'" 
2366 C "C4'" . DT  D 13  ? 0.0814 0.1353 0.0884 0.0157  -0.0048 -0.0481 13  DT  D "C4'" 
2367 O "O4'" . DT  D 13  ? 0.1216 0.1697 0.1180 0.0048  0.0011  -0.0408 13  DT  D "O4'" 
2368 C "C3'" . DT  D 13  ? 0.1395 0.1800 0.1350 0.0253  -0.0146 -0.0392 13  DT  D "C3'" 
2369 O "O3'" . DT  D 13  ? 0.1811 0.2293 0.1822 0.0291  -0.0204 -0.0433 13  DT  D "O3'" 
2370 C "C2'" . DT  D 13  ? 0.0981 0.1266 0.0793 0.0176  -0.0101 -0.0273 13  DT  D "C2'" 
2371 C "C1'" . DT  D 13  ? 0.0744 0.1119 0.0606 0.0083  -0.0040 -0.0302 13  DT  D "C1'" 
2372 N N1    . DT  D 13  ? 0.1070 0.1346 0.0825 0.0006  -0.0004 -0.0218 13  DT  D N1    
2373 C C2    . DT  D 13  ? 0.1528 0.1781 0.1256 -0.0037 0.0011  -0.0191 13  DT  D C2    
2374 O O2    . DT  D 13  ? 0.1004 0.1320 0.0787 -0.0030 0.0009  -0.0233 13  DT  D O2    
2375 N N3    . DT  D 13  ? 0.1092 0.1235 0.0724 -0.0082 0.0013  -0.0120 13  DT  D N3    
2376 C C4    . DT  D 13  ? 0.1111 0.1187 0.0679 -0.0094 -0.0007 -0.0081 13  DT  D C4    
2377 O O4    . DT  D 13  ? 0.1453 0.1436 0.0947 -0.0117 -0.0038 -0.0027 13  DT  D O4    
2378 C C5    . DT  D 13  ? 0.1077 0.1189 0.0673 -0.0068 -0.0003 -0.0116 13  DT  D C5    
2379 C C7    . DT  D 13  ? 0.0936 0.0979 0.0462 -0.0092 -0.0021 -0.0090 13  DT  D C7    
2380 C C6    . DT  D 13  ? 0.1008 0.1207 0.0692 -0.0016 0.0001  -0.0180 13  DT  D C6    
2381 P P     . DG  D 14  ? 0.2300 0.2831 0.2395 0.0435  -0.0339 -0.0522 14  DG  D P     
2382 O OP1   . DG  D 14  ? 0.2410 0.3159 0.2770 0.0448  -0.0321 -0.0679 14  DG  D OP1   
2383 O OP2   . DG  D 14  ? 0.2005 0.2286 0.1882 0.0525  -0.0412 -0.0431 14  DG  D OP2   
2384 O "O5'" . DG  D 14  ? 0.1971 0.2568 0.2075 0.0427  -0.0387 -0.0545 14  DG  D "O5'" 
2385 C "C5'" . DG  D 14  ? 0.2023 0.2435 0.1898 0.0428  -0.0411 -0.0437 14  DG  D "C5'" 
2386 C "C4'" . DG  D 14  ? 0.2015 0.2499 0.1933 0.0434  -0.0466 -0.0494 14  DG  D "C4'" 
2387 O "O4'" . DG  D 14  ? 0.1664 0.2264 0.1655 0.0311  -0.0370 -0.0516 14  DG  D "O4'" 
2388 C "C3'" . DG  D 14  ? 0.1440 0.1690 0.1112 0.0465  -0.0510 -0.0406 14  DG  D "C3'" 
2389 O "O3'" . DG  D 14  ? 0.1579 0.1891 0.1317 0.0505  -0.0593 -0.0481 14  DG  D "O3'" 
2390 C "C2'" . DG  D 14  ? 0.1153 0.1367 0.0733 0.0360  -0.0406 -0.0343 14  DG  D "C2'" 
2391 C "C1'" . DG  D 14  ? 0.1086 0.1538 0.0891 0.0284  -0.0356 -0.0438 14  DG  D "C1'" 
2392 N N9    . DG  D 14  ? 0.1318 0.1733 0.1113 0.0180  -0.0227 -0.0370 14  DG  D N9    
2393 C C8    . DG  D 14  ? 0.1132 0.1575 0.0958 0.0093  -0.0161 -0.0388 14  DG  D C8    
2394 N N7    . DG  D 14  ? 0.1057 0.1420 0.0847 0.0035  -0.0080 -0.0316 14  DG  D N7    
2395 C C5    . DG  D 14  ? 0.1440 0.1751 0.1195 0.0074  -0.0089 -0.0255 14  DG  D C5    
2396 C C6    . DG  D 14  ? 0.1286 0.1519 0.1007 0.0047  -0.0046 -0.0178 14  DG  D C6    
2397 O O6    . DG  D 14  ? 0.1194 0.1371 0.0900 -0.0002 -0.0009 -0.0142 14  DG  D O6    
2398 N N1    . DG  D 14  ? 0.1108 0.1311 0.0805 0.0090  -0.0069 -0.0150 14  DG  D N1    
2399 C C2    . DG  D 14  ? 0.1278 0.1483 0.0955 0.0160  -0.0126 -0.0181 14  DG  D C2    
2400 N N2    . DG  D 14  ? 0.1305 0.1434 0.0933 0.0186  -0.0131 -0.0146 14  DG  D N2    
2401 N N3    . DG  D 14  ? 0.1028 0.1286 0.0724 0.0208  -0.0189 -0.0246 14  DG  D N3    
2402 C C4    . DG  D 14  ? 0.0896 0.1226 0.0645 0.0157  -0.0166 -0.0285 14  DG  D C4    
2403 P P     . DG  D 15  ? 0.1843 0.1910 0.1316 0.0546  -0.0668 -0.0422 15  DG  D P     
2404 O OP1   . DG  D 15  ? 0.1758 0.1937 0.1362 0.0614  -0.0785 -0.0532 15  DG  D OP1   
2405 O OP2   . DG  D 15  ? 0.2252 0.2039 0.1475 0.0581  -0.0667 -0.0323 15  DG  D OP2   
2406 O "O5'" . DG  D 15  ? 0.1573 0.1609 0.0939 0.0434  -0.0575 -0.0374 15  DG  D "O5'" 
2407 C "C5'" . DG  D 15  ? 0.1474 0.1692 0.0990 0.0374  -0.0561 -0.0454 15  DG  D "C5'" 
2408 C "C4'" . DG  D 15  ? 0.1450 0.1574 0.0823 0.0281  -0.0460 -0.0404 15  DG  D "C4'" 
2409 O "O4'" . DG  D 15  ? 0.1397 0.1548 0.0817 0.0234  -0.0355 -0.0365 15  DG  D "O4'" 
2410 C "C3'" . DG  D 15  ? 0.1680 0.1536 0.0753 0.0285  -0.0449 -0.0319 15  DG  D "C3'" 
2411 O "O3'" . DG  D 15  ? 0.1760 0.1574 0.0737 0.0221  -0.0412 -0.0342 15  DG  D "O3'" 
2412 C "C2'" . DG  D 15  ? 0.1591 0.1358 0.0608 0.0257  -0.0340 -0.0241 15  DG  D "C2'" 
2413 C "C1'" . DG  D 15  ? 0.1340 0.1300 0.0562 0.0211  -0.0281 -0.0283 15  DG  D "C1'" 
2414 N N9    . DG  D 15  ? 0.1204 0.1165 0.0484 0.0192  -0.0200 -0.0224 15  DG  D N9    
2415 C C8    . DG  D 15  ? 0.1237 0.1113 0.0455 0.0227  -0.0205 -0.0171 15  DG  D C8    
2416 N N7    . DG  D 15  ? 0.1097 0.1009 0.0420 0.0184  -0.0127 -0.0130 15  DG  D N7    
2417 C C5    . DG  D 15  ? 0.0989 0.0987 0.0428 0.0131  -0.0077 -0.0146 15  DG  D C5    
2418 C C6    . DG  D 15  ? 0.0878 0.0909 0.0427 0.0087  -0.0019 -0.0116 15  DG  D C6    
2419 O O6    . DG  D 15  ? 0.1078 0.1102 0.0666 0.0083  -0.0003 -0.0075 15  DG  D O6    
2420 N N1    . DG  D 15  ? 0.0867 0.0916 0.0461 0.0049  0.0007  -0.0140 15  DG  D N1    
2421 C C2    . DG  D 15  ? 0.1552 0.1616 0.1115 0.0037  -0.0006 -0.0198 15  DG  D C2    
2422 N N2    . DG  D 15  ? 0.0939 0.0988 0.0537 -0.0013 0.0035  -0.0218 15  DG  D N2    
2423 N N3    . DG  D 15  ? 0.1122 0.1193 0.0607 0.0074  -0.0069 -0.0238 15  DG  D N3    
2424 C C4    . DG  D 15  ? 0.1234 0.1259 0.0650 0.0127  -0.0108 -0.0204 15  DG  D C4    
# 
