data_9GV4
# 
_entry.id   9GV4 
# 
_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   9GV4         pdb_00009gv4 10.2210/pdb9gv4/pdb 
WWPDB D_1292141922 ?            ?                   
# 
_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                        9GV4 
_pdbx_database_status.recvd_initial_deposition_date   2024-09-21 
_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_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 
'Pevec, M.' 1 0000-0001-5968-3895 
'Hadzi, S.' 2 0000-0002-5615-7918 
# 
_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 1   ? ? ? ? 
2 non-polymer syn 1,2-ETHANEDIOL 62.068    1   ? ? ? ? 
3 non-polymer syn 'SULFATE ION'  96.063    5   ? ? ? ? 
4 non-polymer syn GLYCEROL       92.094    2   ? ? ? ? 
5 water       nat water          18.015    126 ? ? ? ? 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;QVQLQESGGGLVQAGGSLRLSCAASGSRFSSNTMTWYRQAPGKQREWVATMRSIGTTRYASSVEGRFTLSRDNAKNTVYL
QMNSLKPEDTAVYYCNLRRGGGIYWGQGTQVTVSSHHHHHH
;
_entity_poly.pdbx_seq_one_letter_code_can   
;QVQLQESGGGLVQAGGSLRLSCAASGSRFSSNTMTWYRQAPGKQREWVATMRSIGTTRYASSVEGRFTLSRDNAKNTVYL
QMNSLKPEDTAVYYCNLRRGGGIYWGQGTQVTVSSHHHHHH
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 1,2-ETHANEDIOL EDO 
3 'SULFATE ION'  SO4 
4 GLYCEROL       GOL 
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 
# 
_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                       pHEN6c 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
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 
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  
GOL non-polymer         . GLYCEROL        'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3'       92.094  
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 
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 
SO4 non-polymer         . 'SULFATE ION'   ?                               'O4 S -2'        96.063  
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 117 117 117 HIS HIS A . n 
A 1 118 HIS 118 118 118 HIS HIS A . n 
A 1 119 HIS 119 119 119 HIS HIS A . n 
A 1 120 HIS 120 120 ?   ?   ?   A . n 
A 1 121 HIS 121 121 ?   ?   ?   A . 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 
B 2 EDO 1   201 201 EDO EDO A . 
C 3 SO4 1   202 1   SO4 SO4 A . 
D 3 SO4 1   203 2   SO4 SO4 A . 
E 3 SO4 1   204 3   SO4 SO4 A . 
F 3 SO4 1   205 4   SO4 SO4 A . 
G 3 SO4 1   206 5   SO4 SO4 A . 
H 4 GOL 1   207 6   GOL GOL A . 
I 4 GOL 1   208 7   GOL GOL A . 
J 5 HOH 1   301 72  HOH HOH A . 
J 5 HOH 2   302 133 HOH HOH A . 
J 5 HOH 3   303 113 HOH HOH A . 
J 5 HOH 4   304 93  HOH HOH A . 
J 5 HOH 5   305 82  HOH HOH A . 
J 5 HOH 6   306 80  HOH HOH A . 
J 5 HOH 7   307 135 HOH HOH A . 
J 5 HOH 8   308 29  HOH HOH A . 
J 5 HOH 9   309 88  HOH HOH A . 
J 5 HOH 10  310 132 HOH HOH A . 
J 5 HOH 11  311 58  HOH HOH A . 
J 5 HOH 12  312 14  HOH HOH A . 
J 5 HOH 13  313 124 HOH HOH A . 
J 5 HOH 14  314 148 HOH HOH A . 
J 5 HOH 15  315 104 HOH HOH A . 
J 5 HOH 16  316 5   HOH HOH A . 
J 5 HOH 17  317 76  HOH HOH A . 
J 5 HOH 18  318 11  HOH HOH A . 
J 5 HOH 19  319 79  HOH HOH A . 
J 5 HOH 20  320 77  HOH HOH A . 
J 5 HOH 21  321 84  HOH HOH A . 
J 5 HOH 22  322 15  HOH HOH A . 
J 5 HOH 23  323 27  HOH HOH A . 
J 5 HOH 24  324 103 HOH HOH A . 
J 5 HOH 25  325 23  HOH HOH A . 
J 5 HOH 26  326 10  HOH HOH A . 
J 5 HOH 27  327 149 HOH HOH A . 
J 5 HOH 28  328 51  HOH HOH A . 
J 5 HOH 29  329 24  HOH HOH A . 
J 5 HOH 30  330 56  HOH HOH A . 
J 5 HOH 31  331 90  HOH HOH A . 
J 5 HOH 32  332 13  HOH HOH A . 
J 5 HOH 33  333 12  HOH HOH A . 
J 5 HOH 34  334 110 HOH HOH A . 
J 5 HOH 35  335 28  HOH HOH A . 
J 5 HOH 36  336 53  HOH HOH A . 
J 5 HOH 37  337 129 HOH HOH A . 
J 5 HOH 38  338 87  HOH HOH A . 
J 5 HOH 39  339 126 HOH HOH A . 
J 5 HOH 40  340 108 HOH HOH A . 
J 5 HOH 41  341 74  HOH HOH A . 
J 5 HOH 42  342 91  HOH HOH A . 
J 5 HOH 43  343 78  HOH HOH A . 
J 5 HOH 44  344 34  HOH HOH A . 
J 5 HOH 45  345 4   HOH HOH A . 
J 5 HOH 46  346 37  HOH HOH A . 
J 5 HOH 47  347 141 HOH HOH A . 
J 5 HOH 48  348 75  HOH HOH A . 
J 5 HOH 49  349 30  HOH HOH A . 
J 5 HOH 50  350 1   HOH HOH A . 
J 5 HOH 51  351 50  HOH HOH A . 
J 5 HOH 52  352 22  HOH HOH A . 
J 5 HOH 53  353 31  HOH HOH A . 
J 5 HOH 54  354 71  HOH HOH A . 
J 5 HOH 55  355 54  HOH HOH A . 
J 5 HOH 56  356 62  HOH HOH A . 
J 5 HOH 57  357 48  HOH HOH A . 
J 5 HOH 58  358 3   HOH HOH A . 
J 5 HOH 59  359 38  HOH HOH A . 
J 5 HOH 60  360 17  HOH HOH A . 
J 5 HOH 61  361 98  HOH HOH A . 
J 5 HOH 62  362 39  HOH HOH A . 
J 5 HOH 63  363 89  HOH HOH A . 
J 5 HOH 64  364 9   HOH HOH A . 
J 5 HOH 65  365 8   HOH HOH A . 
J 5 HOH 66  366 55  HOH HOH A . 
J 5 HOH 67  367 46  HOH HOH A . 
J 5 HOH 68  368 69  HOH HOH A . 
J 5 HOH 69  369 61  HOH HOH A . 
J 5 HOH 70  370 41  HOH HOH A . 
J 5 HOH 71  371 63  HOH HOH A . 
J 5 HOH 72  372 42  HOH HOH A . 
J 5 HOH 73  373 109 HOH HOH A . 
J 5 HOH 74  374 60  HOH HOH A . 
J 5 HOH 75  375 118 HOH HOH A . 
J 5 HOH 76  376 47  HOH HOH A . 
J 5 HOH 77  377 95  HOH HOH A . 
J 5 HOH 78  378 16  HOH HOH A . 
J 5 HOH 79  379 18  HOH HOH A . 
J 5 HOH 80  380 26  HOH HOH A . 
J 5 HOH 81  381 112 HOH HOH A . 
J 5 HOH 82  382 107 HOH HOH A . 
J 5 HOH 83  383 52  HOH HOH A . 
J 5 HOH 84  384 85  HOH HOH A . 
J 5 HOH 85  385 44  HOH HOH A . 
J 5 HOH 86  386 101 HOH HOH A . 
J 5 HOH 87  387 119 HOH HOH A . 
J 5 HOH 88  388 21  HOH HOH A . 
J 5 HOH 89  389 2   HOH HOH A . 
J 5 HOH 90  390 73  HOH HOH A . 
J 5 HOH 91  391 81  HOH HOH A . 
J 5 HOH 92  392 6   HOH HOH A . 
J 5 HOH 93  393 25  HOH HOH A . 
J 5 HOH 94  394 67  HOH HOH A . 
J 5 HOH 95  395 106 HOH HOH A . 
J 5 HOH 96  396 136 HOH HOH A . 
J 5 HOH 97  397 64  HOH HOH A . 
J 5 HOH 98  398 86  HOH HOH A . 
J 5 HOH 99  399 45  HOH HOH A . 
J 5 HOH 100 400 36  HOH HOH A . 
J 5 HOH 101 401 35  HOH HOH A . 
J 5 HOH 102 402 139 HOH HOH A . 
J 5 HOH 103 403 137 HOH HOH A . 
J 5 HOH 104 404 128 HOH HOH A . 
J 5 HOH 105 405 146 HOH HOH A . 
J 5 HOH 106 406 33  HOH HOH A . 
J 5 HOH 107 407 105 HOH HOH A . 
J 5 HOH 108 408 70  HOH HOH A . 
J 5 HOH 109 409 120 HOH HOH A . 
J 5 HOH 110 410 142 HOH HOH A . 
J 5 HOH 111 411 116 HOH HOH A . 
J 5 HOH 112 412 138 HOH HOH A . 
J 5 HOH 113 413 150 HOH HOH A . 
J 5 HOH 114 414 115 HOH HOH A . 
J 5 HOH 115 415 66  HOH HOH A . 
J 5 HOH 116 416 100 HOH HOH A . 
J 5 HOH 117 417 121 HOH HOH A . 
J 5 HOH 118 418 117 HOH HOH A . 
J 5 HOH 119 419 59  HOH HOH A . 
J 5 HOH 120 420 57  HOH HOH A . 
J 5 HOH 121 421 65  HOH HOH A . 
J 5 HOH 122 422 111 HOH HOH A . 
J 5 HOH 123 423 68  HOH HOH A . 
J 5 HOH 124 424 40  HOH HOH A . 
J 5 HOH 125 425 19  HOH HOH A . 
J 5 HOH 126 426 32  HOH HOH A . 
# 
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 HIS 119 ? C   ? A HIS 119 C   
2 1 Y 1 A HIS 119 ? O   ? A HIS 119 O   
3 1 Y 1 A HIS 119 ? CB  ? A HIS 119 CB  
4 1 Y 1 A HIS 119 ? CG  ? A HIS 119 CG  
5 1 Y 1 A HIS 119 ? ND1 ? A HIS 119 ND1 
6 1 Y 1 A HIS 119 ? CD2 ? A HIS 119 CD2 
7 1 Y 1 A HIS 119 ? CE1 ? A HIS 119 CE1 
8 1 Y 1 A HIS 119 ? NE2 ? A HIS 119 NE2 
# 
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'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .                  2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS     ? ? ? .                  3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .                  4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9GV4 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     24.125 
_cell.length_a_esd                 ? 
_cell.length_b                     84.257 
_cell.length_b_esd                 ? 
_cell.length_c                     97.441 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        8 
_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                         9GV4 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                20 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'C 2 2 21' 
_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                   9GV4 
_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             1.67 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          26.50 
_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              7.25 
_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    
;1.6 M Ammonium sulphate
0.1 M HEPES, pH=7.25
cryoprotection=25% 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         2021-09-30 
_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                                       9GV4 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.53 
_reflns.d_resolution_low                               48.721 
_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                                     15415 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.8 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                6.5 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          16.1 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               0.96 
_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                                0.074 
_reflns.pdbx_Rpim_I_all                                0.029 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.068 
_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                                    1.53 
_reflns_shell.d_res_low                                     1.57 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           7056 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1099 
_reflns_shell.percent_possible_obs                          98.1 
_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                               6.4 
_reflns_shell.pdbx_chi_squared                              0.93 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     3.2 
_reflns_shell.pdbx_Rrim_I_all                               0.480 
_reflns_shell.pdbx_Rpim_I_all                               0.188 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.931 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.441 
_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                                 9GV4 
_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                            1.534 
_refine.ls_d_res_low                             48.721 
_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                     15380 
_refine.ls_number_reflns_R_free                  1539 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.75 
_refine.ls_percent_reflns_R_free                 10.01 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1732 
_refine.ls_R_factor_R_free                       0.2028 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1699 
_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                          1.34 
_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                 23.28 
_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                            0.23 
_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                       1.534 
_refine_hist.d_res_low                        48.721 
_refine_hist.number_atoms_solvent             126 
_refine_hist.number_atoms_total               1081 
_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        914 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         41 
_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' ? 0.007  ? 1036 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.941  ? 1409 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 16.314 ? 604  ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.054  ? 143  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.004  ? 182  ? 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' 1.534  1.5833 . . 134 1212 98.00  . . . . 0.3339 . . . . . . . . . . . 0.3972 
'X-RAY DIFFRACTION' 1.5833 1.6399 . . 138 1236 100.00 . . . . 0.3021 . . . . . . . . . . . 0.4062 
'X-RAY DIFFRACTION' 1.6399 1.7056 . . 138 1238 100.00 . . . . 0.2577 . . . . . . . . . . . 0.3003 
'X-RAY DIFFRACTION' 1.7056 1.7832 . . 137 1233 100.00 . . . . 0.2113 . . . . . . . . . . . 0.2668 
'X-RAY DIFFRACTION' 1.7832 1.8772 . . 139 1249 100.00 . . . . 0.1794 . . . . . . . . . . . 0.2297 
'X-RAY DIFFRACTION' 1.8772 1.9949 . . 140 1260 100.00 . . . . 0.1772 . . . . . . . . . . . 0.1819 
'X-RAY DIFFRACTION' 1.9949 2.1489 . . 136 1236 100.00 . . . . 0.1553 . . . . . . . . . . . 0.2134 
'X-RAY DIFFRACTION' 2.1489 2.3651 . . 141 1258 100.00 . . . . 0.1614 . . . . . . . . . . . 0.1971 
'X-RAY DIFFRACTION' 2.3651 2.7074 . . 142 1275 100.00 . . . . 0.1653 . . . . . . . . . . . 0.1938 
'X-RAY DIFFRACTION' 2.7074 3.4109 . . 143 1283 100.00 . . . . 0.1381 . . . . . . . . . . . 0.1818 
'X-RAY DIFFRACTION' 3.4109 48.721 . . 151 1361 100.00 . . . . 0.1380 . . . . . . . . . . . 0.1481 
# 
_struct.entry_id                     9GV4 
_struct.title                        'TBA G-quadruplex binding nanobody (free form)' 
_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        9GV4 
_struct_keywords.text            'Nanobody, G-quadruplex, TBA, thrombin, DNA, 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 2 ? 
C N N 3 ? 
D N N 3 ? 
E N N 3 ? 
F N N 3 ? 
G N N 3 ? 
H N N 4 ? 
I N N 4 ? 
J N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    PDB 
_struct_ref.db_code                    9GV4 
_struct_ref.pdbx_db_accession          9GV4 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   ? 
_struct_ref.pdbx_align_begin           1 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9GV4 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 121 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             9GV4 
_struct_ref_seq.db_align_beg                  1 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  121 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       1 
_struct_ref_seq.pdbx_auth_seq_align_end       121 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 1200 ? 
1 MORE         -48  ? 
1 'SSA (A^2)'  6870 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G,H,I,J 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'isothermal titration calorimetry' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
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 
# 
_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 ? A CYS 22 A CYS 95 1_555 ? ? ? ? ? ? ? 2.052 ? ? 
disulf2 disulf ? ? A CYS 22 SG ? ? ? 1_555 A CYS 95 SG B ? A CYS 22 A CYS 95 1_555 ? ? ? ? ? ? ? 2.031 ? ? 
# 
_struct_conn_type.id          disulf 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 CYS A 22 ? CYS A 95 A CYS A 22 ? 1_555 CYS A 95 ? 1_555 SG SG . . . None 'Disulfide bridge' 
2 CYS A 22 ? CYS A 95 B CYS A 22 ? 1_555 CYS A 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 ? 
# 
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 
# 
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  ? VAL A 12  ? GLY A 10  VAL A 12  
AA2 2 THR A 109 ? VAL A 113 ? THR A 109 VAL A 113 
AA2 3 ALA A 91  ? ARG A 99  ? ALA A 91  ARG A 99  
AA2 4 THR A 33  ? GLN A 39  ? THR A 33  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  ? VAL A 12  ? GLY A 10  VAL A 12  
AA3 2 THR A 109 ? VAL A 113 ? THR A 109 VAL A 113 
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 
# 
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 3   ? N GLN A 3   O SER A 25  ? O SER A 25  
AA1 2 3 N LEU A 18  ? N LEU A 18  O MET A 82  ? O MET A 82  
AA1 3 4 O GLN A 81  ? O GLN A 81  N THR A 68  ? N THR A 68  
AA2 1 2 N GLY A 10  ? N GLY A 10  O GLN A 110 ? O GLN A 110 
AA2 2 3 O VAL A 111 ? O VAL A 111 N ALA A 91  ? N ALA A 91  
AA2 3 4 O ARG A 98  ? O ARG A 98  N THR A 33  ? N THR A 33  
AA2 4 5 N TRP A 36  ? N TRP A 36  O VAL A 48  ? O VAL A 48  
AA2 5 6 N THR A 50  ? N THR A 50  O ARG A 58  ? O ARG A 58  
AA3 1 2 N GLY A 10  ? N GLY A 10  O GLN A 110 ? O GLN A 110 
AA3 2 3 O VAL A 111 ? O VAL A 111 N ALA A 91  ? N ALA A 91  
AA3 3 4 N ARG A 99  ? N ARG A 99  O GLY A 102 ? O GLY A 102 
# 
_pdbx_entry_details.entry_id                   9GV4 
_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 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   OE1 
_pdbx_validate_close_contact.auth_asym_id_1   A 
_pdbx_validate_close_contact.auth_comp_id_1   GLN 
_pdbx_validate_close_contact.auth_seq_id_1    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   OH 
_pdbx_validate_close_contact.auth_asym_id_2   A 
_pdbx_validate_close_contact.auth_comp_id_2   TYR 
_pdbx_validate_close_contact.auth_seq_id_2    104 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             2.17 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             CA 
_pdbx_validate_rmsd_angle.auth_asym_id_1             A 
_pdbx_validate_rmsd_angle.auth_comp_id_1             CYS 
_pdbx_validate_rmsd_angle.auth_seq_id_1              95 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             A 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CB 
_pdbx_validate_rmsd_angle.auth_asym_id_2             A 
_pdbx_validate_rmsd_angle.auth_comp_id_2             CYS 
_pdbx_validate_rmsd_angle.auth_seq_id_2              95 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             A 
_pdbx_validate_rmsd_angle.auth_atom_id_3             SG 
_pdbx_validate_rmsd_angle.auth_asym_id_3             A 
_pdbx_validate_rmsd_angle.auth_comp_id_3             CYS 
_pdbx_validate_rmsd_angle.auth_seq_id_3              95 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             A 
_pdbx_validate_rmsd_angle.angle_value                121.52 
_pdbx_validate_rmsd_angle.angle_target_value         114.20 
_pdbx_validate_rmsd_angle.angle_deviation            7.32 
_pdbx_validate_rmsd_angle.angle_standard_deviation   1.10 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 A SO4 204 ? E SO4 . 
2 1 A HOH 312 ? J HOH . 
3 1 A HOH 345 ? J HOH . 
# 
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 120 ? A HIS 120 
2 1 Y 1 A HIS 121 ? A 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  
EDO C1   C N N 88  
EDO O1   O N N 89  
EDO C2   C N N 90  
EDO O2   O N N 91  
EDO H11  H N N 92  
EDO H12  H N N 93  
EDO HO1  H N N 94  
EDO H21  H N N 95  
EDO H22  H N N 96  
EDO HO2  H N N 97  
GLN N    N N N 98  
GLN CA   C N S 99  
GLN C    C N N 100 
GLN O    O N N 101 
GLN CB   C N N 102 
GLN CG   C N N 103 
GLN CD   C N N 104 
GLN OE1  O N N 105 
GLN NE2  N N N 106 
GLN OXT  O N N 107 
GLN H    H N N 108 
GLN H2   H N N 109 
GLN HA   H N N 110 
GLN HB2  H N N 111 
GLN HB3  H N N 112 
GLN HG2  H N N 113 
GLN HG3  H N N 114 
GLN HE21 H N N 115 
GLN HE22 H N N 116 
GLN HXT  H N N 117 
GLU N    N N N 118 
GLU CA   C N S 119 
GLU C    C N N 120 
GLU O    O N N 121 
GLU CB   C N N 122 
GLU CG   C N N 123 
GLU CD   C N N 124 
GLU OE1  O N N 125 
GLU OE2  O N N 126 
GLU OXT  O N N 127 
GLU H    H N N 128 
GLU H2   H N N 129 
GLU HA   H N N 130 
GLU HB2  H N N 131 
GLU HB3  H N N 132 
GLU HG2  H N N 133 
GLU HG3  H N N 134 
GLU HE2  H N N 135 
GLU HXT  H N N 136 
GLY N    N N N 137 
GLY CA   C N N 138 
GLY C    C N N 139 
GLY O    O N N 140 
GLY OXT  O N N 141 
GLY H    H N N 142 
GLY H2   H N N 143 
GLY HA2  H N N 144 
GLY HA3  H N N 145 
GLY HXT  H N N 146 
GOL C1   C N N 147 
GOL O1   O N N 148 
GOL C2   C N N 149 
GOL O2   O N N 150 
GOL C3   C N N 151 
GOL O3   O N N 152 
GOL H11  H N N 153 
GOL H12  H N N 154 
GOL HO1  H N N 155 
GOL H2   H N N 156 
GOL HO2  H N N 157 
GOL H31  H N N 158 
GOL H32  H N N 159 
GOL HO3  H N N 160 
HIS N    N N N 161 
HIS CA   C N S 162 
HIS C    C N N 163 
HIS O    O N N 164 
HIS CB   C N N 165 
HIS CG   C Y N 166 
HIS ND1  N Y N 167 
HIS CD2  C Y N 168 
HIS CE1  C Y N 169 
HIS NE2  N Y N 170 
HIS OXT  O N N 171 
HIS H    H N N 172 
HIS H2   H N N 173 
HIS HA   H N N 174 
HIS HB2  H N N 175 
HIS HB3  H N N 176 
HIS HD1  H N N 177 
HIS HD2  H N N 178 
HIS HE1  H N N 179 
HIS HE2  H N N 180 
HIS HXT  H N N 181 
HOH O    O N N 182 
HOH H1   H N N 183 
HOH H2   H N N 184 
ILE N    N N N 185 
ILE CA   C N S 186 
ILE C    C N N 187 
ILE O    O N N 188 
ILE CB   C N S 189 
ILE CG1  C N N 190 
ILE CG2  C N N 191 
ILE CD1  C N N 192 
ILE OXT  O N N 193 
ILE H    H N N 194 
ILE H2   H N N 195 
ILE HA   H N N 196 
ILE HB   H N N 197 
ILE HG12 H N N 198 
ILE HG13 H N N 199 
ILE HG21 H N N 200 
ILE HG22 H N N 201 
ILE HG23 H N N 202 
ILE HD11 H N N 203 
ILE HD12 H N N 204 
ILE HD13 H N N 205 
ILE HXT  H N N 206 
LEU N    N N N 207 
LEU CA   C N S 208 
LEU C    C N N 209 
LEU O    O N N 210 
LEU CB   C N N 211 
LEU CG   C N N 212 
LEU CD1  C N N 213 
LEU CD2  C N N 214 
LEU OXT  O N N 215 
LEU H    H N N 216 
LEU H2   H N N 217 
LEU HA   H N N 218 
LEU HB2  H N N 219 
LEU HB3  H N N 220 
LEU HG   H N N 221 
LEU HD11 H N N 222 
LEU HD12 H N N 223 
LEU HD13 H N N 224 
LEU HD21 H N N 225 
LEU HD22 H N N 226 
LEU HD23 H N N 227 
LEU HXT  H N N 228 
LYS N    N N N 229 
LYS CA   C N S 230 
LYS C    C N N 231 
LYS O    O N N 232 
LYS CB   C N N 233 
LYS CG   C N N 234 
LYS CD   C N N 235 
LYS CE   C N N 236 
LYS NZ   N N N 237 
LYS OXT  O N N 238 
LYS H    H N N 239 
LYS H2   H N N 240 
LYS HA   H N N 241 
LYS HB2  H N N 242 
LYS HB3  H N N 243 
LYS HG2  H N N 244 
LYS HG3  H N N 245 
LYS HD2  H N N 246 
LYS HD3  H N N 247 
LYS HE2  H N N 248 
LYS HE3  H N N 249 
LYS HZ1  H N N 250 
LYS HZ2  H N N 251 
LYS HZ3  H N N 252 
LYS HXT  H N N 253 
MET N    N N N 254 
MET CA   C N S 255 
MET C    C N N 256 
MET O    O N N 257 
MET CB   C N N 258 
MET CG   C N N 259 
MET SD   S N N 260 
MET CE   C N N 261 
MET OXT  O N N 262 
MET H    H N N 263 
MET H2   H N N 264 
MET HA   H N N 265 
MET HB2  H N N 266 
MET HB3  H N N 267 
MET HG2  H N N 268 
MET HG3  H N N 269 
MET HE1  H N N 270 
MET HE2  H N N 271 
MET HE3  H N N 272 
MET HXT  H N N 273 
PHE N    N N N 274 
PHE CA   C N S 275 
PHE C    C N N 276 
PHE O    O N N 277 
PHE CB   C N N 278 
PHE CG   C Y N 279 
PHE CD1  C Y N 280 
PHE CD2  C Y N 281 
PHE CE1  C Y N 282 
PHE CE2  C Y N 283 
PHE CZ   C Y N 284 
PHE OXT  O N N 285 
PHE H    H N N 286 
PHE H2   H N N 287 
PHE HA   H N N 288 
PHE HB2  H N N 289 
PHE HB3  H N N 290 
PHE HD1  H N N 291 
PHE HD2  H N N 292 
PHE HE1  H N N 293 
PHE HE2  H N N 294 
PHE HZ   H N N 295 
PHE HXT  H N N 296 
PRO N    N N N 297 
PRO CA   C N S 298 
PRO C    C N N 299 
PRO O    O N N 300 
PRO CB   C N N 301 
PRO CG   C N N 302 
PRO CD   C N N 303 
PRO OXT  O N N 304 
PRO H    H N N 305 
PRO HA   H N N 306 
PRO HB2  H N N 307 
PRO HB3  H N N 308 
PRO HG2  H N N 309 
PRO HG3  H N N 310 
PRO HD2  H N N 311 
PRO HD3  H N N 312 
PRO HXT  H N N 313 
SER N    N N N 314 
SER CA   C N S 315 
SER C    C N N 316 
SER O    O N N 317 
SER CB   C N N 318 
SER OG   O N N 319 
SER OXT  O N N 320 
SER H    H N N 321 
SER H2   H N N 322 
SER HA   H N N 323 
SER HB2  H N N 324 
SER HB3  H N N 325 
SER HG   H N N 326 
SER HXT  H N N 327 
SO4 S    S N N 328 
SO4 O1   O N N 329 
SO4 O2   O N N 330 
SO4 O3   O N N 331 
SO4 O4   O N N 332 
THR N    N N N 333 
THR CA   C N S 334 
THR C    C N N 335 
THR O    O N N 336 
THR CB   C N R 337 
THR OG1  O N N 338 
THR CG2  C N N 339 
THR OXT  O N N 340 
THR H    H N N 341 
THR H2   H N N 342 
THR HA   H N N 343 
THR HB   H N N 344 
THR HG1  H N N 345 
THR HG21 H N N 346 
THR HG22 H N N 347 
THR HG23 H N N 348 
THR HXT  H N N 349 
TRP N    N N N 350 
TRP CA   C N S 351 
TRP C    C N N 352 
TRP O    O N N 353 
TRP CB   C N N 354 
TRP CG   C Y N 355 
TRP CD1  C Y N 356 
TRP CD2  C Y N 357 
TRP NE1  N Y N 358 
TRP CE2  C Y N 359 
TRP CE3  C Y N 360 
TRP CZ2  C Y N 361 
TRP CZ3  C Y N 362 
TRP CH2  C Y N 363 
TRP OXT  O N N 364 
TRP H    H N N 365 
TRP H2   H N N 366 
TRP HA   H N N 367 
TRP HB2  H N N 368 
TRP HB3  H N N 369 
TRP HD1  H N N 370 
TRP HE1  H N N 371 
TRP HE3  H N N 372 
TRP HZ2  H N N 373 
TRP HZ3  H N N 374 
TRP HH2  H N N 375 
TRP HXT  H N N 376 
TYR N    N N N 377 
TYR CA   C N S 378 
TYR C    C N N 379 
TYR O    O N N 380 
TYR CB   C N N 381 
TYR CG   C Y N 382 
TYR CD1  C Y N 383 
TYR CD2  C Y N 384 
TYR CE1  C Y N 385 
TYR CE2  C Y N 386 
TYR CZ   C Y N 387 
TYR OH   O N N 388 
TYR OXT  O N N 389 
TYR H    H N N 390 
TYR H2   H N N 391 
TYR HA   H N N 392 
TYR HB2  H N N 393 
TYR HB3  H N N 394 
TYR HD1  H N N 395 
TYR HD2  H N N 396 
TYR HE1  H N N 397 
TYR HE2  H N N 398 
TYR HH   H N N 399 
TYR HXT  H N N 400 
VAL N    N N N 401 
VAL CA   C N S 402 
VAL C    C N N 403 
VAL O    O N N 404 
VAL CB   C N N 405 
VAL CG1  C N N 406 
VAL CG2  C N N 407 
VAL OXT  O N N 408 
VAL H    H N N 409 
VAL H2   H N N 410 
VAL HA   H N N 411 
VAL HB   H N N 412 
VAL HG11 H N N 413 
VAL HG12 H N N 414 
VAL HG13 H N N 415 
VAL HG21 H N N 416 
VAL HG22 H N N 417 
VAL HG23 H N N 418 
VAL HXT  H N N 419 
# 
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  
EDO C1  O1   sing N N 83  
EDO C1  C2   sing N N 84  
EDO C1  H11  sing N N 85  
EDO C1  H12  sing N N 86  
EDO O1  HO1  sing N N 87  
EDO C2  O2   sing N N 88  
EDO C2  H21  sing N N 89  
EDO C2  H22  sing N N 90  
EDO O2  HO2  sing N N 91  
GLN N   CA   sing N N 92  
GLN N   H    sing N N 93  
GLN N   H2   sing N N 94  
GLN CA  C    sing N N 95  
GLN CA  CB   sing N N 96  
GLN CA  HA   sing N N 97  
GLN C   O    doub N N 98  
GLN C   OXT  sing N N 99  
GLN CB  CG   sing N N 100 
GLN CB  HB2  sing N N 101 
GLN CB  HB3  sing N N 102 
GLN CG  CD   sing N N 103 
GLN CG  HG2  sing N N 104 
GLN CG  HG3  sing N N 105 
GLN CD  OE1  doub N N 106 
GLN CD  NE2  sing N N 107 
GLN NE2 HE21 sing N N 108 
GLN NE2 HE22 sing N N 109 
GLN OXT HXT  sing N N 110 
GLU N   CA   sing N N 111 
GLU N   H    sing N N 112 
GLU N   H2   sing N N 113 
GLU CA  C    sing N N 114 
GLU CA  CB   sing N N 115 
GLU CA  HA   sing N N 116 
GLU C   O    doub N N 117 
GLU C   OXT  sing N N 118 
GLU CB  CG   sing N N 119 
GLU CB  HB2  sing N N 120 
GLU CB  HB3  sing N N 121 
GLU CG  CD   sing N N 122 
GLU CG  HG2  sing N N 123 
GLU CG  HG3  sing N N 124 
GLU CD  OE1  doub N N 125 
GLU CD  OE2  sing N N 126 
GLU OE2 HE2  sing N N 127 
GLU OXT HXT  sing N N 128 
GLY N   CA   sing N N 129 
GLY N   H    sing N N 130 
GLY N   H2   sing N N 131 
GLY CA  C    sing N N 132 
GLY CA  HA2  sing N N 133 
GLY CA  HA3  sing N N 134 
GLY C   O    doub N N 135 
GLY C   OXT  sing N N 136 
GLY OXT HXT  sing N N 137 
GOL C1  O1   sing N N 138 
GOL C1  C2   sing N N 139 
GOL C1  H11  sing N N 140 
GOL C1  H12  sing N N 141 
GOL O1  HO1  sing N N 142 
GOL C2  O2   sing N N 143 
GOL C2  C3   sing N N 144 
GOL C2  H2   sing N N 145 
GOL O2  HO2  sing N N 146 
GOL C3  O3   sing N N 147 
GOL C3  H31  sing N N 148 
GOL C3  H32  sing N N 149 
GOL O3  HO3  sing N N 150 
HIS N   CA   sing N N 151 
HIS N   H    sing N N 152 
HIS N   H2   sing N N 153 
HIS CA  C    sing N N 154 
HIS CA  CB   sing N N 155 
HIS CA  HA   sing N N 156 
HIS C   O    doub N N 157 
HIS C   OXT  sing N N 158 
HIS CB  CG   sing N N 159 
HIS CB  HB2  sing N N 160 
HIS CB  HB3  sing N N 161 
HIS CG  ND1  sing Y N 162 
HIS CG  CD2  doub Y N 163 
HIS ND1 CE1  doub Y N 164 
HIS ND1 HD1  sing N N 165 
HIS CD2 NE2  sing Y N 166 
HIS CD2 HD2  sing N N 167 
HIS CE1 NE2  sing Y N 168 
HIS CE1 HE1  sing N N 169 
HIS NE2 HE2  sing N N 170 
HIS OXT HXT  sing N N 171 
HOH O   H1   sing N N 172 
HOH O   H2   sing N N 173 
ILE N   CA   sing N N 174 
ILE N   H    sing N N 175 
ILE N   H2   sing N N 176 
ILE CA  C    sing N N 177 
ILE CA  CB   sing N N 178 
ILE CA  HA   sing N N 179 
ILE C   O    doub N N 180 
ILE C   OXT  sing N N 181 
ILE CB  CG1  sing N N 182 
ILE CB  CG2  sing N N 183 
ILE CB  HB   sing N N 184 
ILE CG1 CD1  sing N N 185 
ILE CG1 HG12 sing N N 186 
ILE CG1 HG13 sing N N 187 
ILE CG2 HG21 sing N N 188 
ILE CG2 HG22 sing N N 189 
ILE CG2 HG23 sing N N 190 
ILE CD1 HD11 sing N N 191 
ILE CD1 HD12 sing N N 192 
ILE CD1 HD13 sing N N 193 
ILE OXT HXT  sing N N 194 
LEU N   CA   sing N N 195 
LEU N   H    sing N N 196 
LEU N   H2   sing N N 197 
LEU CA  C    sing N N 198 
LEU CA  CB   sing N N 199 
LEU CA  HA   sing N N 200 
LEU C   O    doub N N 201 
LEU C   OXT  sing N N 202 
LEU CB  CG   sing N N 203 
LEU CB  HB2  sing N N 204 
LEU CB  HB3  sing N N 205 
LEU CG  CD1  sing N N 206 
LEU CG  CD2  sing N N 207 
LEU CG  HG   sing N N 208 
LEU CD1 HD11 sing N N 209 
LEU CD1 HD12 sing N N 210 
LEU CD1 HD13 sing N N 211 
LEU CD2 HD21 sing N N 212 
LEU CD2 HD22 sing N N 213 
LEU CD2 HD23 sing N N 214 
LEU OXT HXT  sing N N 215 
LYS N   CA   sing N N 216 
LYS N   H    sing N N 217 
LYS N   H2   sing N N 218 
LYS CA  C    sing N N 219 
LYS CA  CB   sing N N 220 
LYS CA  HA   sing N N 221 
LYS C   O    doub N N 222 
LYS C   OXT  sing N N 223 
LYS CB  CG   sing N N 224 
LYS CB  HB2  sing N N 225 
LYS CB  HB3  sing N N 226 
LYS CG  CD   sing N N 227 
LYS CG  HG2  sing N N 228 
LYS CG  HG3  sing N N 229 
LYS CD  CE   sing N N 230 
LYS CD  HD2  sing N N 231 
LYS CD  HD3  sing N N 232 
LYS CE  NZ   sing N N 233 
LYS CE  HE2  sing N N 234 
LYS CE  HE3  sing N N 235 
LYS NZ  HZ1  sing N N 236 
LYS NZ  HZ2  sing N N 237 
LYS NZ  HZ3  sing N N 238 
LYS OXT HXT  sing N N 239 
MET N   CA   sing N N 240 
MET N   H    sing N N 241 
MET N   H2   sing N N 242 
MET CA  C    sing N N 243 
MET CA  CB   sing N N 244 
MET CA  HA   sing N N 245 
MET C   O    doub N N 246 
MET C   OXT  sing N N 247 
MET CB  CG   sing N N 248 
MET CB  HB2  sing N N 249 
MET CB  HB3  sing N N 250 
MET CG  SD   sing N N 251 
MET CG  HG2  sing N N 252 
MET CG  HG3  sing N N 253 
MET SD  CE   sing N N 254 
MET CE  HE1  sing N N 255 
MET CE  HE2  sing N N 256 
MET CE  HE3  sing N N 257 
MET OXT HXT  sing N N 258 
PHE N   CA   sing N N 259 
PHE N   H    sing N N 260 
PHE N   H2   sing N N 261 
PHE CA  C    sing N N 262 
PHE CA  CB   sing N N 263 
PHE CA  HA   sing N N 264 
PHE C   O    doub N N 265 
PHE C   OXT  sing N N 266 
PHE CB  CG   sing N N 267 
PHE CB  HB2  sing N N 268 
PHE CB  HB3  sing N N 269 
PHE CG  CD1  doub Y N 270 
PHE CG  CD2  sing Y N 271 
PHE CD1 CE1  sing Y N 272 
PHE CD1 HD1  sing N N 273 
PHE CD2 CE2  doub Y N 274 
PHE CD2 HD2  sing N N 275 
PHE CE1 CZ   doub Y N 276 
PHE CE1 HE1  sing N N 277 
PHE CE2 CZ   sing Y N 278 
PHE CE2 HE2  sing N N 279 
PHE CZ  HZ   sing N N 280 
PHE OXT HXT  sing N N 281 
PRO N   CA   sing N N 282 
PRO N   CD   sing N N 283 
PRO N   H    sing N N 284 
PRO CA  C    sing N N 285 
PRO CA  CB   sing N N 286 
PRO CA  HA   sing N N 287 
PRO C   O    doub N N 288 
PRO C   OXT  sing N N 289 
PRO CB  CG   sing N N 290 
PRO CB  HB2  sing N N 291 
PRO CB  HB3  sing N N 292 
PRO CG  CD   sing N N 293 
PRO CG  HG2  sing N N 294 
PRO CG  HG3  sing N N 295 
PRO CD  HD2  sing N N 296 
PRO CD  HD3  sing N N 297 
PRO OXT HXT  sing N N 298 
SER N   CA   sing N N 299 
SER N   H    sing N N 300 
SER N   H2   sing N N 301 
SER CA  C    sing N N 302 
SER CA  CB   sing N N 303 
SER CA  HA   sing N N 304 
SER C   O    doub N N 305 
SER C   OXT  sing N N 306 
SER CB  OG   sing N N 307 
SER CB  HB2  sing N N 308 
SER CB  HB3  sing N N 309 
SER OG  HG   sing N N 310 
SER OXT HXT  sing N N 311 
SO4 S   O1   doub N N 312 
SO4 S   O2   doub N N 313 
SO4 S   O3   sing N N 314 
SO4 S   O4   sing N N 315 
THR N   CA   sing N N 316 
THR N   H    sing N N 317 
THR N   H2   sing N N 318 
THR CA  C    sing N N 319 
THR CA  CB   sing N N 320 
THR CA  HA   sing N N 321 
THR C   O    doub N N 322 
THR C   OXT  sing N N 323 
THR CB  OG1  sing N N 324 
THR CB  CG2  sing N N 325 
THR CB  HB   sing N N 326 
THR OG1 HG1  sing N N 327 
THR CG2 HG21 sing N N 328 
THR CG2 HG22 sing N N 329 
THR CG2 HG23 sing N N 330 
THR OXT HXT  sing N N 331 
TRP N   CA   sing N N 332 
TRP N   H    sing N N 333 
TRP N   H2   sing N N 334 
TRP CA  C    sing N N 335 
TRP CA  CB   sing N N 336 
TRP CA  HA   sing N N 337 
TRP C   O    doub N N 338 
TRP C   OXT  sing N N 339 
TRP CB  CG   sing N N 340 
TRP CB  HB2  sing N N 341 
TRP CB  HB3  sing N N 342 
TRP CG  CD1  doub Y N 343 
TRP CG  CD2  sing Y N 344 
TRP CD1 NE1  sing Y N 345 
TRP CD1 HD1  sing N N 346 
TRP CD2 CE2  doub Y N 347 
TRP CD2 CE3  sing Y N 348 
TRP NE1 CE2  sing Y N 349 
TRP NE1 HE1  sing N N 350 
TRP CE2 CZ2  sing Y N 351 
TRP CE3 CZ3  doub Y N 352 
TRP CE3 HE3  sing N N 353 
TRP CZ2 CH2  doub Y N 354 
TRP CZ2 HZ2  sing N N 355 
TRP CZ3 CH2  sing Y N 356 
TRP CZ3 HZ3  sing N N 357 
TRP CH2 HH2  sing N N 358 
TRP OXT HXT  sing N N 359 
TYR N   CA   sing N N 360 
TYR N   H    sing N N 361 
TYR N   H2   sing N N 362 
TYR CA  C    sing N N 363 
TYR CA  CB   sing N N 364 
TYR CA  HA   sing N N 365 
TYR C   O    doub N N 366 
TYR C   OXT  sing N N 367 
TYR CB  CG   sing N N 368 
TYR CB  HB2  sing N N 369 
TYR CB  HB3  sing N N 370 
TYR CG  CD1  doub Y N 371 
TYR CG  CD2  sing Y N 372 
TYR CD1 CE1  sing Y N 373 
TYR CD1 HD1  sing N N 374 
TYR CD2 CE2  doub Y N 375 
TYR CD2 HD2  sing N N 376 
TYR CE1 CZ   doub Y N 377 
TYR CE1 HE1  sing N N 378 
TYR CE2 CZ   sing Y N 379 
TYR CE2 HE2  sing N N 380 
TYR CZ  OH   sing N N 381 
TYR OH  HH   sing N N 382 
TYR OXT HXT  sing N N 383 
VAL N   CA   sing N N 384 
VAL N   H    sing N N 385 
VAL N   H2   sing N N 386 
VAL CA  C    sing N N 387 
VAL CA  CB   sing N N 388 
VAL CA  HA   sing N N 389 
VAL C   O    doub N N 390 
VAL C   OXT  sing N N 391 
VAL CB  CG1  sing N N 392 
VAL CB  CG2  sing N N 393 
VAL CB  HB   sing N N 394 
VAL CG1 HG11 sing N N 395 
VAL CG1 HG12 sing N N 396 
VAL CG1 HG13 sing N N 397 
VAL CG2 HG21 sing N N 398 
VAL CG2 HG22 sing N N 399 
VAL CG2 HG23 sing N N 400 
VAL OXT HXT  sing N N 401 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'Slovenian Research Agency' Slovenia J1-50026 1 
'Slovenian Research Agency' Slovenia P1-0201  2 
# 
_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      Other 
_pdbx_initial_refinement_model.accession_code   ? 
_pdbx_initial_refinement_model.details          'nanobody with truncated cdr loops' 
# 
_atom_sites.entry_id                    9GV4 
_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]   0.041451 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.011868 
_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]   0.010263 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
C 
N 
O 
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   ? -7.023  17.827  -22.483 1.00 46.16 ? 1   GLN A N   1 
ATOM   2    C CA  . GLN A 1 1   ? -7.986  17.472  -21.446 1.00 43.39 ? 1   GLN A CA  1 
ATOM   3    C C   . GLN A 1 1   ? -7.321  16.668  -20.332 1.00 34.35 ? 1   GLN A C   1 
ATOM   4    O O   . GLN A 1 1   ? -6.592  17.215  -19.510 1.00 28.31 ? 1   GLN A O   1 
ATOM   5    C CB  . GLN A 1 1   ? -9.150  16.681  -22.044 1.00 46.91 ? 1   GLN A CB  1 
ATOM   6    C CG  . GLN A 1 1   ? -10.321 16.466  -21.100 1.00 50.04 ? 1   GLN A CG  1 
ATOM   7    C CD  . GLN A 1 1   ? -11.593 16.174  -21.847 1.00 58.02 ? 1   GLN A CD  1 
ATOM   8    O OE1 . GLN A 1 1   ? -12.498 15.519  -21.339 1.00 62.82 ? 1   GLN A OE1 1 
ATOM   9    N NE2 . GLN A 1 1   ? -11.672 16.670  -23.066 1.00 66.71 ? 1   GLN A NE2 1 
ATOM   10   N N   . VAL A 1 2   ? -7.567  15.361  -20.321 1.00 22.20 ? 2   VAL A N   1 
ATOM   11   C CA  . VAL A 1 2   ? -7.055  14.470  -19.290 1.00 19.15 ? 2   VAL A CA  1 
ATOM   12   C C   . VAL A 1 2   ? -6.203  13.409  -19.964 1.00 20.38 ? 2   VAL A C   1 
ATOM   13   O O   . VAL A 1 2   ? -6.642  12.778  -20.931 1.00 23.77 ? 2   VAL A O   1 
ATOM   14   C CB  . VAL A 1 2   ? -8.191  13.824  -18.478 1.00 18.13 ? 2   VAL A CB  1 
ATOM   15   C CG1 . VAL A 1 2   ? -7.635  12.754  -17.544 1.00 19.52 ? 2   VAL A CG1 1 
ATOM   16   C CG2 . VAL A 1 2   ? -8.949  14.883  -17.693 1.00 23.78 ? 2   VAL A CG2 1 
ATOM   17   N N   . GLN A 1 3   ? -4.995  13.207  -19.449 1.00 14.39 ? 3   GLN A N   1 
ATOM   18   C CA  . GLN A 1 3   ? -4.100  12.182  -19.966 1.00 18.92 ? 3   GLN A CA  1 
ATOM   19   C C   . GLN A 1 3   ? -3.666  11.270  -18.831 1.00 15.95 ? 3   GLN A C   1 
ATOM   20   O O   . GLN A 1 3   ? -3.309  11.746  -17.749 1.00 19.03 ? 3   GLN A O   1 
ATOM   21   C CB  . GLN A 1 3   ? -2.878  12.809  -20.633 1.00 25.16 ? 3   GLN A CB  1 
ATOM   22   C CG  . GLN A 1 3   ? -3.239  13.764  -21.761 1.00 35.87 ? 3   GLN A CG  1 
ATOM   23   C CD  . GLN A 1 3   ? -2.072  14.645  -22.173 1.00 56.61 ? 3   GLN A CD  1 
ATOM   24   O OE1 . GLN A 1 3   ? -0.908  14.279  -21.994 1.00 60.78 ? 3   GLN A OE1 1 
ATOM   25   N NE2 . GLN A 1 3   ? -2.379  15.817  -22.721 1.00 60.61 ? 3   GLN A NE2 1 
ATOM   26   N N   . LEU A 1 4   ? -3.690  9.959   -19.090 1.00 12.40 ? 4   LEU A N   1 
ATOM   27   C CA  . LEU A 1 4   ? -3.237  8.946   -18.144 1.00 11.50 ? 4   LEU A CA  1 
ATOM   28   C C   . LEU A 1 4   ? -2.060  8.193   -18.737 1.00 13.53 ? 4   LEU A C   1 
ATOM   29   O O   . LEU A 1 4   ? -2.079  7.835   -19.920 1.00 16.55 ? 4   LEU A O   1 
ATOM   30   C CB  . LEU A 1 4   ? -4.342  7.941   -17.829 1.00 13.00 ? 4   LEU A CB  1 
ATOM   31   C CG  . LEU A 1 4   ? -5.652  8.585   -17.407 1.00 17.14 ? 4   LEU A CG  1 
ATOM   32   C CD1 . LEU A 1 4   ? -6.742  7.536   -17.229 1.00 18.84 ? 4   LEU A CD1 1 
ATOM   33   C CD2 . LEU A 1 4   ? -5.403  9.347   -16.120 1.00 15.44 ? 4   LEU A CD2 1 
ATOM   34   N N   . GLN A 1 5   ? -1.051  7.920   -17.917 1.00 12.69 ? 5   GLN A N   1 
ATOM   35   C CA  . GLN A 1 5   ? 0.082   7.129   -18.388 1.00 17.21 ? 5   GLN A CA  1 
ATOM   36   C C   . GLN A 1 5   ? 0.524   6.145   -17.318 1.00 10.87 ? 5   GLN A C   1 
ATOM   37   O O   . GLN A 1 5   ? 0.943   6.552   -16.227 1.00 11.89 ? 5   GLN A O   1 
ATOM   38   C CB  . GLN A 1 5   ? 1.262   8.006   -18.804 1.00 19.65 ? 5   GLN A CB  1 
ATOM   39   C CG  . GLN A 1 5   ? 2.458   7.164   -19.237 1.00 24.59 ? 5   GLN A CG  1 
ATOM   40   C CD  . GLN A 1 5   ? 3.292   7.823   -20.310 1.00 40.57 ? 5   GLN A CD  1 
ATOM   41   O OE1 . GLN A 1 5   ? 2.763   8.458   -21.221 1.00 56.31 ? 5   GLN A OE1 1 
ATOM   42   N NE2 . GLN A 1 5   ? 4.606   7.672   -20.212 1.00 42.09 ? 5   GLN A NE2 1 
ATOM   43   N N   . GLU A 1 6   ? 0.441   4.861   -17.660 1.00 11.79 ? 6   GLU A N   1 
ATOM   44   C CA  . GLU A 1 6   ? 0.941   3.774   -16.833 1.00 11.16 ? 6   GLU A CA  1 
ATOM   45   C C   . GLU A 1 6   ? 2.456   3.688   -16.958 1.00 15.50 ? 6   GLU A C   1 
ATOM   46   O O   . GLU A 1 6   ? 3.027   3.947   -18.018 1.00 20.76 ? 6   GLU A O   1 
ATOM   47   C CB  . GLU A 1 6   ? 0.339   2.430   -17.271 1.00 17.45 ? 6   GLU A CB  1 
ATOM   48   C CG  . GLU A 1 6   ? -1.173  2.320   -17.296 1.00 17.78 ? 6   GLU A CG  1 
ATOM   49   C CD  . GLU A 1 6   ? -1.803  2.818   -18.586 1.00 11.81 ? 6   GLU A CD  1 
ATOM   50   O OE1 . GLU A 1 6   ? -1.123  3.516   -19.377 1.00 13.83 ? 6   GLU A OE1 1 
ATOM   51   O OE2 . GLU A 1 6   ? -2.988  2.513   -18.802 1.00 12.98 ? 6   GLU A OE2 1 
ATOM   52   N N   A SER A 1 7   ? 3.107   3.309   -15.864 0.57 11.98 ? 7   SER A N   1 
ATOM   53   N N   B SER A 1 7   ? 3.105   3.321   -15.856 0.43 11.97 ? 7   SER A N   1 
ATOM   54   C CA  A SER A 1 7   ? 4.536   3.042   -15.886 0.57 15.80 ? 7   SER A CA  1 
ATOM   55   C CA  B SER A 1 7   ? 4.538   3.067   -15.845 0.43 15.81 ? 7   SER A CA  1 
ATOM   56   C C   A SER A 1 7   ? 4.822   1.812   -15.041 0.57 18.97 ? 7   SER A C   1 
ATOM   57   C C   B SER A 1 7   ? 4.808   1.796   -15.052 0.43 18.88 ? 7   SER A C   1 
ATOM   58   O O   A SER A 1 7   ? 4.054   1.449   -14.144 0.57 14.57 ? 7   SER A O   1 
ATOM   59   O O   B SER A 1 7   ? 4.013   1.386   -14.200 0.43 14.55 ? 7   SER A O   1 
ATOM   60   C CB  A SER A 1 7   ? 5.351   4.239   -15.391 0.57 13.60 ? 7   SER A CB  1 
ATOM   61   C CB  B SER A 1 7   ? 5.329   4.237   -15.252 0.43 13.63 ? 7   SER A CB  1 
ATOM   62   O OG  A SER A 1 7   ? 4.937   4.623   -14.098 0.57 18.04 ? 7   SER A OG  1 
ATOM   63   O OG  B SER A 1 7   ? 6.726   4.007   -15.351 0.43 20.40 ? 7   SER A OG  1 
ATOM   64   N N   . GLY A 1 8   ? 5.951   1.186   -15.333 1.00 16.73 ? 8   GLY A N   1 
ATOM   65   C CA  . GLY A 1 8   ? 6.261   -0.112  -14.793 1.00 11.94 ? 8   GLY A CA  1 
ATOM   66   C C   . GLY A 1 8   ? 5.753   -1.193  -15.723 1.00 19.35 ? 8   GLY A C   1 
ATOM   67   O O   . GLY A 1 8   ? 4.907   -0.967  -16.585 1.00 24.08 ? 8   GLY A O   1 
ATOM   68   N N   . GLY A 1 9   ? 6.272   -2.370  -15.539 1.00 17.12 ? 9   GLY A N   1 
ATOM   69   C CA  . GLY A 1 9   ? 5.904   -3.483  -16.379 1.00 12.74 ? 9   GLY A CA  1 
ATOM   70   C C   . GLY A 1 9   ? 7.121   -4.321  -16.664 1.00 16.03 ? 9   GLY A C   1 
ATOM   71   O O   . GLY A 1 9   ? 8.163   -4.183  -16.026 1.00 18.52 ? 9   GLY A O   1 
ATOM   72   N N   . GLY A 1 10  ? 6.984   -5.209  -17.631 1.00 11.53 ? 10  GLY A N   1 
ATOM   73   C CA  . GLY A 1 10  ? 8.059   -6.104  -17.979 1.00 12.21 ? 10  GLY A CA  1 
ATOM   74   C C   . GLY A 1 10  ? 7.879   -7.476  -17.371 1.00 12.16 ? 10  GLY A C   1 
ATOM   75   O O   . GLY A 1 10  ? 6.797   -7.864  -16.918 1.00 11.55 ? 10  GLY A O   1 
ATOM   76   N N   . LEU A 1 11  ? 8.985   -8.215  -17.350 1.00 11.59 ? 11  LEU A N   1 
ATOM   77   C CA  . LEU A 1 11  ? 8.994   -9.627  -17.006 1.00 10.57 ? 11  LEU A CA  1 
ATOM   78   C C   . LEU A 1 11  ? 9.383   -9.830  -15.546 1.00 16.68 ? 11  LEU A C   1 
ATOM   79   O O   . LEU A 1 11  ? 10.277  -9.156  -15.028 1.00 14.70 ? 11  LEU A O   1 
ATOM   80   C CB  . LEU A 1 11  ? 9.954   -10.381 -17.942 1.00 11.88 ? 11  LEU A CB  1 
ATOM   81   C CG  . LEU A 1 11  ? 10.251  -11.849 -17.683 1.00 14.40 ? 11  LEU A CG  1 
ATOM   82   C CD1 . LEU A 1 11  ? 9.009   -12.701 -17.857 1.00 14.72 ? 11  LEU A CD1 1 
ATOM   83   C CD2 . LEU A 1 11  ? 11.358  -12.325 -18.624 1.00 14.60 ? 11  LEU A CD2 1 
ATOM   84   N N   A VAL A 1 12  ? 8.721   -10.781 -14.894 0.42 11.09 ? 12  VAL A N   1 
ATOM   85   N N   B VAL A 1 12  ? 8.659   -10.735 -14.884 0.58 8.63  ? 12  VAL A N   1 
ATOM   86   C CA  A VAL A 1 12  ? 8.988   -11.098 -13.497 0.42 12.18 ? 12  VAL A CA  1 
ATOM   87   C CA  B VAL A 1 12  ? 8.816   -11.038 -13.467 0.58 12.19 ? 12  VAL A CA  1 
ATOM   88   C C   A VAL A 1 12  ? 8.791   -12.595 -13.322 0.42 13.40 ? 12  VAL A C   1 
ATOM   89   C C   B VAL A 1 12  ? 8.748   -12.550 -13.309 0.58 12.99 ? 12  VAL A C   1 
ATOM   90   O O   A VAL A 1 12  ? 8.029   -13.220 -14.059 0.42 10.87 ? 12  VAL A O   1 
ATOM   91   O O   B VAL A 1 12  ? 8.129   -13.244 -14.116 0.58 11.20 ? 12  VAL A O   1 
ATOM   92   C CB  A VAL A 1 12  ? 8.065   -10.284 -12.561 0.42 13.22 ? 12  VAL A CB  1 
ATOM   93   C CB  B VAL A 1 12  ? 7.720   -10.366 -12.607 0.58 12.34 ? 12  VAL A CB  1 
ATOM   94   C CG1 A VAL A 1 12  ? 6.616   -10.650 -12.810 0.42 11.55 ? 12  VAL A CG1 1 
ATOM   95   C CG1 B VAL A 1 12  ? 8.060   -10.452 -11.133 0.58 18.26 ? 12  VAL A CG1 1 
ATOM   96   C CG2 A VAL A 1 12  ? 8.425   -10.511 -11.117 0.42 16.97 ? 12  VAL A CG2 1 
ATOM   97   C CG2 B VAL A 1 12  ? 7.489   -8.916  -13.027 0.58 15.22 ? 12  VAL A CG2 1 
ATOM   98   N N   A GLN A 1 13  ? 9.499   -13.184 -12.360 0.50 13.08 ? 13  GLN A N   1 
ATOM   99   N N   B GLN A 1 13  ? 9.396   -13.070 -12.269 0.50 12.93 ? 13  GLN A N   1 
ATOM   100  C CA  A GLN A 1 13  ? 9.322   -14.607 -12.121 0.50 12.52 ? 13  GLN A CA  1 
ATOM   101  C CA  B GLN A 1 13  ? 9.310   -14.496 -11.986 0.50 12.44 ? 13  GLN A CA  1 
ATOM   102  C C   A GLN A 1 13  ? 8.150   -14.847 -11.177 0.50 12.38 ? 13  GLN A C   1 
ATOM   103  C C   B GLN A 1 13  ? 8.060   -14.803 -11.170 0.50 12.32 ? 13  GLN A C   1 
ATOM   104  O O   A GLN A 1 13  ? 7.771   -13.984 -10.381 0.50 11.54 ? 13  GLN A O   1 
ATOM   105  O O   B GLN A 1 13  ? 7.553   -13.955 -10.431 0.50 10.66 ? 13  GLN A O   1 
ATOM   106  C CB  A GLN A 1 13  ? 10.601  -15.251 -11.570 0.50 14.92 ? 13  GLN A CB  1 
ATOM   107  C CB  B GLN A 1 13  ? 10.552  -14.973 -11.228 0.50 13.37 ? 13  GLN A CB  1 
ATOM   108  C CG  A GLN A 1 13  ? 11.038  -14.780 -10.206 0.50 21.33 ? 13  GLN A CG  1 
ATOM   109  C CG  B GLN A 1 13  ? 11.870  -14.603 -11.892 0.50 17.19 ? 13  GLN A CG  1 
ATOM   110  C CD  A GLN A 1 13  ? 12.433  -15.275 -9.839  0.50 17.15 ? 13  GLN A CD  1 
ATOM   111  C CD  B GLN A 1 13  ? 12.191  -15.473 -13.086 0.50 24.14 ? 13  GLN A CD  1 
ATOM   112  O OE1 A GLN A 1 13  ? 13.291  -15.448 -10.706 0.50 17.90 ? 13  GLN A OE1 1 
ATOM   113  O OE1 B GLN A 1 13  ? 11.556  -16.507 -13.307 0.50 22.65 ? 13  GLN A OE1 1 
ATOM   114  N NE2 A GLN A 1 13  ? 12.661  -15.502 -8.552  0.50 18.72 ? 13  GLN A NE2 1 
ATOM   115  N NE2 B GLN A 1 13  ? 13.180  -15.058 -13.874 0.50 33.46 ? 13  GLN A NE2 1 
ATOM   116  N N   . ALA A 1 14  ? 7.560   -16.030 -11.309 1.00 10.56 ? 14  ALA A N   1 
ATOM   117  C CA  . ALA A 1 14  ? 6.447   -16.457 -10.471 1.00 10.15 ? 14  ALA A CA  1 
ATOM   118  C C   . ALA A 1 14  ? 6.827   -16.346 -9.002  1.00 11.33 ? 14  ALA A C   1 
ATOM   119  O O   . ALA A 1 14  ? 7.954   -16.669 -8.611  1.00 12.05 ? 14  ALA A O   1 
ATOM   120  C CB  . ALA A 1 14  ? 6.065   -17.902 -10.818 1.00 13.93 ? 14  ALA A CB  1 
ATOM   121  N N   . GLY A 1 15  ? 5.879   -15.862 -8.193  1.00 9.55  ? 15  GLY A N   1 
ATOM   122  C CA  . GLY A 1 15  ? 6.105   -15.589 -6.786  1.00 12.41 ? 15  GLY A CA  1 
ATOM   123  C C   . GLY A 1 15  ? 6.760   -14.255 -6.505  1.00 13.09 ? 15  GLY A C   1 
ATOM   124  O O   . GLY A 1 15  ? 6.936   -13.897 -5.330  1.00 11.26 ? 15  GLY A O   1 
ATOM   125  N N   . GLY A 1 16  ? 7.102   -13.504 -7.538  1.00 9.18  ? 16  GLY A N   1 
ATOM   126  C CA  . GLY A 1 16  ? 7.769   -12.236 -7.384  1.00 11.31 ? 16  GLY A CA  1 
ATOM   127  C C   . GLY A 1 16  ? 6.807   -11.089 -7.159  1.00 7.98  ? 16  GLY A C   1 
ATOM   128  O O   . GLY A 1 16  ? 5.631   -11.266 -6.818  1.00 10.45 ? 16  GLY A O   1 
ATOM   129  N N   . SER A 1 17  ? 7.350   -9.886  -7.335  1.00 8.99  ? 17  SER A N   1 
ATOM   130  C CA  . SER A 1 17  ? 6.661   -8.640  -7.046  1.00 7.82  ? 17  SER A CA  1 
ATOM   131  C C   . SER A 1 17  ? 6.896   -7.673  -8.194  1.00 8.92  ? 17  SER A C   1 
ATOM   132  O O   . SER A 1 17  ? 7.838   -7.833  -8.977  1.00 10.27 ? 17  SER A O   1 
ATOM   133  C CB  . SER A 1 17  ? 7.157   -8.024  -5.735  1.00 8.50  ? 17  SER A CB  1 
ATOM   134  O OG  . SER A 1 17  ? 8.561   -7.798  -5.798  1.00 11.80 ? 17  SER A OG  1 
ATOM   135  N N   . LEU A 1 18  ? 6.031   -6.657  -8.283  1.00 8.17  ? 18  LEU A N   1 
ATOM   136  C CA  . LEU A 1 18  ? 6.128   -5.633  -9.314  1.00 8.74  ? 18  LEU A CA  1 
ATOM   137  C C   . LEU A 1 18  ? 5.301   -4.425  -8.908  1.00 9.42  ? 18  LEU A C   1 
ATOM   138  O O   . LEU A 1 18  ? 4.200   -4.580  -8.377  1.00 9.86  ? 18  LEU A O   1 
ATOM   139  C CB  . LEU A 1 18  ? 5.636   -6.175  -10.669 1.00 9.63  ? 18  LEU A CB  1 
ATOM   140  C CG  . LEU A 1 18  ? 5.577   -5.145  -11.805 1.00 9.69  ? 18  LEU A CG  1 
ATOM   141  C CD1 . LEU A 1 18  ? 6.960   -4.669  -12.202 1.00 14.26 ? 18  LEU A CD1 1 
ATOM   142  C CD2 . LEU A 1 18  ? 4.875   -5.723  -13.009 1.00 18.67 ? 18  LEU A CD2 1 
ATOM   143  N N   . ARG A 1 19  ? 5.825   -3.227  -9.175  1.00 7.63  ? 19  ARG A N   1 
ATOM   144  C CA  . ARG A 1 19  ? 5.118   -1.989  -8.860  1.00 8.75  ? 19  ARG A CA  1 
ATOM   145  C C   . ARG A 1 19  ? 4.739   -1.278  -10.151 1.00 11.24 ? 19  ARG A C   1 
ATOM   146  O O   . ARG A 1 19  ? 5.610   -0.997  -10.982 1.00 10.37 ? 19  ARG A O   1 
ATOM   147  C CB  . ARG A 1 19  ? 5.978   -1.082  -7.986  1.00 9.30  ? 19  ARG A CB  1 
ATOM   148  C CG  . ARG A 1 19  ? 5.278   0.196   -7.511  1.00 8.04  ? 19  ARG A CG  1 
ATOM   149  C CD  . ARG A 1 19  ? 6.133   0.857   -6.451  1.00 7.55  ? 19  ARG A CD  1 
ATOM   150  N NE  . ARG A 1 19  ? 5.585   2.092   -5.892  1.00 10.17 ? 19  ARG A NE  1 
ATOM   151  C CZ  . ARG A 1 19  ? 4.735   2.142   -4.873  1.00 9.73  ? 19  ARG A CZ  1 
ATOM   152  N NH1 . ARG A 1 19  ? 4.283   1.025   -4.334  1.00 9.83  ? 19  ARG A NH1 1 
ATOM   153  N NH2 . ARG A 1 19  ? 4.317   3.309   -4.403  1.00 10.77 ? 19  ARG A NH2 1 
ATOM   154  N N   . LEU A 1 20  ? 3.447   -0.997  -10.317 1.00 19.74 ? 20  LEU A N   1 
ATOM   155  C CA  . LEU A 1 20  ? 2.953   -0.166  -11.406 1.00 19.74 ? 20  LEU A CA  1 
ATOM   156  C C   . LEU A 1 20  ? 2.499   1.176   -10.853 1.00 19.74 ? 20  LEU A C   1 
ATOM   157  O O   . LEU A 1 20  ? 2.109   1.286   -9.691  1.00 19.74 ? 20  LEU A O   1 
ATOM   158  C CB  . LEU A 1 20  ? 1.780   -0.824  -12.139 1.00 19.74 ? 20  LEU A CB  1 
ATOM   159  C CG  . LEU A 1 20  ? 1.972   -2.209  -12.756 1.00 19.74 ? 20  LEU A CG  1 
ATOM   160  C CD1 . LEU A 1 20  ? 0.727   -2.598  -13.531 1.00 19.74 ? 20  LEU A CD1 1 
ATOM   161  C CD2 . LEU A 1 20  ? 3.183   -2.244  -13.663 1.00 19.74 ? 20  LEU A CD2 1 
ATOM   162  N N   . SER A 1 21  ? 2.545   2.201   -11.696 1.00 9.37  ? 21  SER A N   1 
ATOM   163  C CA  . SER A 1 21  ? 2.001   3.490   -11.317 1.00 8.88  ? 21  SER A CA  1 
ATOM   164  C C   . SER A 1 21  ? 1.178   4.034   -12.469 1.00 8.29  ? 21  SER A C   1 
ATOM   165  O O   . SER A 1 21  ? 1.323   3.611   -13.616 1.00 11.60 ? 21  SER A O   1 
ATOM   166  C CB  . SER A 1 21  ? 3.096   4.500   -10.930 1.00 15.42 ? 21  SER A CB  1 
ATOM   167  O OG  . SER A 1 21  ? 3.946   4.770   -12.023 1.00 22.44 ? 21  SER A OG  1 
ATOM   168  N N   . CYS A 1 22  ? 0.272   4.947   -12.141 1.00 9.87  ? 22  CYS A N   1 
ATOM   169  C CA  . CYS A 1 22  ? -0.438  5.691   -13.165 1.00 10.74 ? 22  CYS A CA  1 
ATOM   170  C C   . CYS A 1 22  ? -0.387  7.162   -12.804 1.00 14.23 ? 22  CYS A C   1 
ATOM   171  O O   . CYS A 1 22  ? -0.757  7.544   -11.687 1.00 12.75 ? 22  CYS A O   1 
ATOM   172  C CB  . CYS A 1 22  ? -1.884  5.224   -13.313 1.00 10.02 ? 22  CYS A CB  1 
ATOM   173  S SG  . CYS A 1 22  ? -2.794  6.125   -14.614 1.00 14.58 ? 22  CYS A SG  1 
ATOM   174  N N   . ALA A 1 23  ? 0.074   7.979   -13.742 1.00 12.62 ? 23  ALA A N   1 
ATOM   175  C CA  . ALA A 1 23  ? 0.129   9.424   -13.577 1.00 14.29 ? 23  ALA A CA  1 
ATOM   176  C C   . ALA A 1 23  ? -0.993  10.068  -14.374 1.00 12.21 ? 23  ALA A C   1 
ATOM   177  O O   . ALA A 1 23  ? -1.285  9.649   -15.498 1.00 16.43 ? 23  ALA A O   1 
ATOM   178  C CB  . ALA A 1 23  ? 1.472   9.982   -14.056 1.00 18.52 ? 23  ALA A CB  1 
ATOM   179  N N   . ALA A 1 24  ? -1.620  11.088  -13.799 1.00 18.67 ? 24  ALA A N   1 
ATOM   180  C CA  . ALA A 1 24  ? -2.727  11.776  -14.446 1.00 12.28 ? 24  ALA A CA  1 
ATOM   181  C C   . ALA A 1 24  ? -2.384  13.243  -14.629 1.00 14.88 ? 24  ALA A C   1 
ATOM   182  O O   . ALA A 1 24  ? -1.868  13.887  -13.716 1.00 15.80 ? 24  ALA A O   1 
ATOM   183  C CB  . ALA A 1 24  ? -4.015  11.640  -13.636 1.00 15.17 ? 24  ALA A CB  1 
ATOM   184  N N   A SER A 1 25  ? -2.645  13.752  -15.821 0.57 16.14 ? 25  SER A N   1 
ATOM   185  N N   B SER A 1 25  ? -2.669  13.778  -15.813 0.43 16.14 ? 25  SER A N   1 
ATOM   186  C CA  A SER A 1 25  ? -2.573  15.175  -16.088 0.57 15.14 ? 25  SER A CA  1 
ATOM   187  C CA  B SER A 1 25  ? -2.522  15.206  -16.063 0.43 15.20 ? 25  SER A CA  1 
ATOM   188  C C   A SER A 1 25  ? -3.971  15.665  -16.418 0.57 13.63 ? 25  SER A C   1 
ATOM   189  C C   B SER A 1 25  ? -3.858  15.755  -16.533 0.43 13.83 ? 25  SER A C   1 
ATOM   190  O O   A SER A 1 25  ? -4.738  14.974  -17.094 0.57 12.10 ? 25  SER A O   1 
ATOM   191  O O   B SER A 1 25  ? -4.465  15.206  -17.456 0.43 16.18 ? 25  SER A O   1 
ATOM   192  C CB  A SER A 1 25  ? -1.604  15.478  -17.230 0.57 18.67 ? 25  SER A CB  1 
ATOM   193  C CB  B SER A 1 25  ? -1.428  15.501  -17.099 0.43 19.02 ? 25  SER A CB  1 
ATOM   194  O OG  A SER A 1 25  ? -0.320  14.972  -16.914 0.57 24.53 ? 25  SER A OG  1 
ATOM   195  O OG  B SER A 1 25  ? -1.791  15.045  -18.388 0.43 17.61 ? 25  SER A OG  1 
ATOM   196  N N   . GLY A 1 26  ? -4.317  16.829  -15.890 1.00 14.34 ? 26  GLY A N   1 
ATOM   197  C CA  . GLY A 1 26  ? -5.590  17.435  -16.218 1.00 15.89 ? 26  GLY A CA  1 
ATOM   198  C C   . GLY A 1 26  ? -6.718  17.118  -15.265 1.00 14.21 ? 26  GLY A C   1 
ATOM   199  O O   . GLY A 1 26  ? -7.817  17.655  -15.434 1.00 13.89 ? 26  GLY A O   1 
ATOM   200  N N   . SER A 1 27  ? -6.491  16.257  -14.278 1.00 13.68 ? 27  SER A N   1 
ATOM   201  C CA  . SER A 1 27  ? -7.538  15.884  -13.339 1.00 15.05 ? 27  SER A CA  1 
ATOM   202  C C   . SER A 1 27  ? -6.891  15.281  -12.103 1.00 13.98 ? 27  SER A C   1 
ATOM   203  O O   . SER A 1 27  ? -5.840  14.645  -12.195 1.00 18.51 ? 27  SER A O   1 
ATOM   204  C CB  . SER A 1 27  ? -8.516  14.887  -13.971 1.00 18.13 ? 27  SER A CB  1 
ATOM   205  O OG  . SER A 1 27  ? -9.462  14.427  -13.027 1.00 18.59 ? 27  SER A OG  1 
ATOM   206  N N   . ARG A 1 28  ? -7.532  15.489  -10.950 1.00 16.26 ? 28  ARG A N   1 
ATOM   207  C CA  . ARG A 1 28  ? -7.065  14.934  -9.682  1.00 16.93 ? 28  ARG A CA  1 
ATOM   208  C C   . ARG A 1 28  ? -7.662  13.547  -9.465  1.00 14.78 ? 28  ARG A C   1 
ATOM   209  O O   . ARG A 1 28  ? -8.888  13.387  -9.468  1.00 18.53 ? 28  ARG A O   1 
ATOM   210  C CB  . ARG A 1 28  ? -7.458  15.840  -8.516  1.00 17.82 ? 28  ARG A CB  1 
ATOM   211  C CG  . ARG A 1 28  ? -6.841  17.226  -8.558  1.00 21.77 ? 28  ARG A CG  1 
ATOM   212  C CD  . ARG A 1 28  ? -7.616  18.177  -7.657  1.00 22.03 ? 28  ARG A CD  1 
ATOM   213  N NE  . ARG A 1 28  ? -8.991  18.364  -8.109  1.00 22.92 ? 28  ARG A NE  1 
ATOM   214  C CZ  . ARG A 1 28  ? -9.894  19.100  -7.464  1.00 26.79 ? 28  ARG A CZ  1 
ATOM   215  N NH1 . ARG A 1 28  ? -11.123 19.217  -7.941  1.00 21.71 ? 28  ARG A NH1 1 
ATOM   216  N NH2 . ARG A 1 28  ? -9.565  19.709  -6.336  1.00 21.61 ? 28  ARG A NH2 1 
ATOM   217  N N   . PHE A 1 29  ? -6.796  12.548  -9.258  1.00 14.15 ? 29  PHE A N   1 
ATOM   218  C CA  . PHE A 1 29  ? -7.280  11.246  -8.808  1.00 17.45 ? 29  PHE A CA  1 
ATOM   219  C C   . PHE A 1 29  ? -8.135  11.383  -7.554  1.00 15.61 ? 29  PHE A C   1 
ATOM   220  O O   . PHE A 1 29  ? -9.154  10.701  -7.402  1.00 16.81 ? 29  PHE A O   1 
ATOM   221  C CB  . PHE A 1 29  ? -6.106  10.312  -8.520  1.00 12.47 ? 29  PHE A CB  1 
ATOM   222  C CG  . PHE A 1 29  ? -5.493  9.697   -9.737  1.00 12.80 ? 29  PHE A CG  1 
ATOM   223  C CD1 . PHE A 1 29  ? -6.258  8.920   -10.597 1.00 12.45 ? 29  PHE A CD1 1 
ATOM   224  C CD2 . PHE A 1 29  ? -4.135  9.861   -10.004 1.00 13.87 ? 29  PHE A CD2 1 
ATOM   225  C CE1 . PHE A 1 29  ? -5.677  8.324   -11.709 1.00 17.65 ? 29  PHE A CE1 1 
ATOM   226  C CE2 . PHE A 1 29  ? -3.549  9.274   -11.112 1.00 13.69 ? 29  PHE A CE2 1 
ATOM   227  C CZ  . PHE A 1 29  ? -4.326  8.499   -11.967 1.00 13.08 ? 29  PHE A CZ  1 
ATOM   228  N N   . SER A 1 30  ? -7.739  12.275  -6.647  1.00 16.87 ? 30  SER A N   1 
ATOM   229  C CA  . SER A 1 30  ? -8.408  12.344  -5.355  1.00 16.30 ? 30  SER A CA  1 
ATOM   230  C C   . SER A 1 30  ? -9.831  12.878  -5.441  1.00 16.52 ? 30  SER A C   1 
ATOM   231  O O   . SER A 1 30  ? -10.575 12.765  -4.466  1.00 13.87 ? 30  SER A O   1 
ATOM   232  C CB  . SER A 1 30  ? -7.605  13.214  -4.406  1.00 14.90 ? 30  SER A CB  1 
ATOM   233  O OG  . SER A 1 30  ? -7.553  14.542  -4.902  1.00 19.93 ? 30  SER A OG  1 
ATOM   234  N N   . SER A 1 31  ? -10.227 13.467  -6.566  1.00 15.95 ? 31  SER A N   1 
ATOM   235  C CA  . SER A 1 31  ? -11.587 13.968  -6.715  1.00 12.11 ? 31  SER A CA  1 
ATOM   236  C C   . SER A 1 31  ? -12.476 13.031  -7.517  1.00 16.40 ? 31  SER A C   1 
ATOM   237  O O   . SER A 1 31  ? -13.655 13.336  -7.722  1.00 18.44 ? 31  SER A O   1 
ATOM   238  C CB  . SER A 1 31  ? -11.579 15.353  -7.373  1.00 17.82 ? 31  SER A CB  1 
ATOM   239  O OG  . SER A 1 31  ? -11.087 16.338  -6.488  1.00 23.66 ? 31  SER A OG  1 
ATOM   240  N N   . ASN A 1 32  ? -11.945 11.902  -7.982  1.00 14.40 ? 32  ASN A N   1 
ATOM   241  C CA  . ASN A 1 32  ? -12.653 11.077  -8.949  1.00 16.37 ? 32  ASN A CA  1 
ATOM   242  C C   . ASN A 1 32  ? -12.435 9.614   -8.591  1.00 17.50 ? 32  ASN A C   1 
ATOM   243  O O   . ASN A 1 32  ? -11.828 9.290   -7.565  1.00 19.45 ? 32  ASN A O   1 
ATOM   244  C CB  . ASN A 1 32  ? -12.175 11.411  -10.366 1.00 17.46 ? 32  ASN A CB  1 
ATOM   245  C CG  . ASN A 1 32  ? -12.474 12.847  -10.743 1.00 17.63 ? 32  ASN A CG  1 
ATOM   246  O OD1 . ASN A 1 32  ? -13.624 13.200  -10.982 1.00 19.05 ? 32  ASN A OD1 1 
ATOM   247  N ND2 . ASN A 1 32  ? -11.439 13.687  -10.774 1.00 17.10 ? 32  ASN A ND2 1 
ATOM   248  N N   . THR A 1 33  ? -12.942 8.728   -9.443  1.00 14.15 ? 33  THR A N   1 
ATOM   249  C CA  . THR A 1 33  ? -12.763 7.289   -9.301  1.00 11.89 ? 33  THR A CA  1 
ATOM   250  C C   . THR A 1 33  ? -11.766 6.798   -10.341 1.00 13.57 ? 33  THR A C   1 
ATOM   251  O O   . THR A 1 33  ? -11.900 7.109   -11.528 1.00 17.87 ? 33  THR A O   1 
ATOM   252  C CB  . THR A 1 33  ? -14.086 6.549   -9.477  1.00 19.51 ? 33  THR A CB  1 
ATOM   253  O OG1 . THR A 1 33  ? -14.960 6.868   -8.384  1.00 26.19 ? 33  THR A OG1 1 
ATOM   254  C CG2 . THR A 1 33  ? -13.862 5.056   -9.524  1.00 18.59 ? 33  THR A CG2 1 
ATOM   255  N N   . MET A 1 34  ? -10.778 6.027   -9.902  1.00 9.62  ? 34  MET A N   1 
ATOM   256  C CA  . MET A 1 34  ? -9.828  5.423   -10.825 1.00 10.67 ? 34  MET A CA  1 
ATOM   257  C C   . MET A 1 34  ? -9.919  3.912   -10.698 1.00 13.72 ? 34  MET A C   1 
ATOM   258  O O   . MET A 1 34  ? -10.199 3.381   -9.621  1.00 11.59 ? 34  MET A O   1 
ATOM   259  C CB  . MET A 1 34  ? -8.397  5.932   -10.596 1.00 19.69 ? 34  MET A CB  1 
ATOM   260  C CG  . MET A 1 34  ? -7.555  5.203   -9.607  1.00 18.87 ? 34  MET A CG  1 
ATOM   261  S SD  . MET A 1 34  ? -6.871  3.620   -10.163 1.00 12.73 ? 34  MET A SD  1 
ATOM   262  C CE  . MET A 1 34  ? -6.150  3.965   -11.754 1.00 19.66 ? 34  MET A CE  1 
ATOM   263  N N   . THR A 1 35  ? -9.711  3.221   -11.816 1.00 9.16  ? 35  THR A N   1 
ATOM   264  C CA  . THR A 1 35  ? -9.779  1.770   -11.838 1.00 8.81  ? 35  THR A CA  1 
ATOM   265  C C   . THR A 1 35  ? -8.614  1.221   -12.647 1.00 9.22  ? 35  THR A C   1 
ATOM   266  O O   . THR A 1 35  ? -8.282  1.749   -13.711 1.00 10.86 ? 35  THR A O   1 
ATOM   267  C CB  . THR A 1 35  ? -11.101 1.281   -12.453 1.00 7.22  ? 35  THR A CB  1 
ATOM   268  O OG1 . THR A 1 35  ? -12.213 1.903   -11.771 1.00 8.84  ? 35  THR A OG1 1 
ATOM   269  C CG2 . THR A 1 35  ? -11.219 -0.230  -12.349 1.00 11.19 ? 35  THR A CG2 1 
ATOM   270  N N   . TRP A 1 36  ? -7.984  0.175   -12.123 1.00 9.29  ? 36  TRP A N   1 
ATOM   271  C CA  . TRP A 1 36  ? -7.048  -0.634  -12.890 1.00 10.26 ? 36  TRP A CA  1 
ATOM   272  C C   . TRP A 1 36  ? -7.797  -1.790  -13.522 1.00 8.96  ? 36  TRP A C   1 
ATOM   273  O O   . TRP A 1 36  ? -8.560  -2.484  -12.841 1.00 9.41  ? 36  TRP A O   1 
ATOM   274  C CB  . TRP A 1 36  ? -5.940  -1.202  -12.008 1.00 7.93  ? 36  TRP A CB  1 
ATOM   275  C CG  . TRP A 1 36  ? -4.891  -0.222  -11.620 1.00 7.01  ? 36  TRP A CG  1 
ATOM   276  C CD1 . TRP A 1 36  ? -4.822  0.480   -10.448 1.00 9.91  ? 36  TRP A CD1 1 
ATOM   277  C CD2 . TRP A 1 36  ? -3.740  0.159   -12.385 1.00 10.47 ? 36  TRP A CD2 1 
ATOM   278  N NE1 . TRP A 1 36  ? -3.701  1.277   -10.435 1.00 11.86 ? 36  TRP A NE1 1 
ATOM   279  C CE2 . TRP A 1 36  ? -3.019  1.095   -11.611 1.00 9.72  ? 36  TRP A CE2 1 
ATOM   280  C CE3 . TRP A 1 36  ? -3.240  -0.209  -13.644 1.00 9.63  ? 36  TRP A CE3 1 
ATOM   281  C CZ2 . TRP A 1 36  ? -1.836  1.681   -12.060 1.00 11.45 ? 36  TRP A CZ2 1 
ATOM   282  C CZ3 . TRP A 1 36  ? -2.066  0.377   -14.090 1.00 11.25 ? 36  TRP A CZ3 1 
ATOM   283  C CH2 . TRP A 1 36  ? -1.374  1.305   -13.297 1.00 9.86  ? 36  TRP A CH2 1 
ATOM   284  N N   . TYR A 1 37  ? -7.572  -1.989  -14.822 1.00 8.52  ? 37  TYR A N   1 
ATOM   285  C CA  . TYR A 1 37  ? -8.041  -3.156  -15.548 1.00 8.89  ? 37  TYR A CA  1 
ATOM   286  C C   . TYR A 1 37  ? -6.847  -3.947  -16.046 1.00 10.02 ? 37  TYR A C   1 
ATOM   287  O O   . TYR A 1 37  ? -5.736  -3.429  -16.138 1.00 10.25 ? 37  TYR A O   1 
ATOM   288  C CB  . TYR A 1 37  ? -8.895  -2.768  -16.756 1.00 10.19 ? 37  TYR A CB  1 
ATOM   289  C CG  . TYR A 1 37  ? -10.262 -2.262  -16.399 1.00 9.06  ? 37  TYR A CG  1 
ATOM   290  C CD1 . TYR A 1 37  ? -10.450 -0.938  -16.053 1.00 12.19 ? 37  TYR A CD1 1 
ATOM   291  C CD2 . TYR A 1 37  ? -11.374 -3.101  -16.447 1.00 11.97 ? 37  TYR A CD2 1 
ATOM   292  C CE1 . TYR A 1 37  ? -11.717 -0.458  -15.738 1.00 9.09  ? 37  TYR A CE1 1 
ATOM   293  C CE2 . TYR A 1 37  ? -12.636 -2.635  -16.114 1.00 15.00 ? 37  TYR A CE2 1 
ATOM   294  C CZ  . TYR A 1 37  ? -12.794 -1.308  -15.769 1.00 12.64 ? 37  TYR A CZ  1 
ATOM   295  O OH  . TYR A 1 37  ? -14.037 -0.822  -15.440 1.00 17.32 ? 37  TYR A OH  1 
ATOM   296  N N   . ARG A 1 38  ? -7.090  -5.203  -16.398 1.00 8.94  ? 38  ARG A N   1 
ATOM   297  C CA  . ARG A 1 38  ? -6.074  -5.967  -17.111 1.00 5.93  ? 38  ARG A CA  1 
ATOM   298  C C   . ARG A 1 38  ? -6.754  -6.771  -18.205 1.00 8.79  ? 38  ARG A C   1 
ATOM   299  O O   . ARG A 1 38  ? -7.947  -7.074  -18.136 1.00 11.67 ? 38  ARG A O   1 
ATOM   300  C CB  . ARG A 1 38  ? -5.260  -6.887  -16.178 1.00 7.68  ? 38  ARG A CB  1 
ATOM   301  C CG  . ARG A 1 38  ? -6.007  -8.045  -15.588 1.00 8.71  ? 38  ARG A CG  1 
ATOM   302  C CD  . ARG A 1 38  ? -5.153  -8.758  -14.573 1.00 11.36 ? 38  ARG A CD  1 
ATOM   303  N NE  . ARG A 1 38  ? -5.847  -9.897  -13.999 1.00 13.39 ? 38  ARG A NE  1 
ATOM   304  C CZ  . ARG A 1 38  ? -5.341  -10.643 -13.031 1.00 12.07 ? 38  ARG A CZ  1 
ATOM   305  N NH1 . ARG A 1 38  ? -4.158  -10.331 -12.520 1.00 12.84 ? 38  ARG A NH1 1 
ATOM   306  N NH2 . ARG A 1 38  ? -6.025  -11.679 -12.570 1.00 12.31 ? 38  ARG A NH2 1 
ATOM   307  N N   . GLN A 1 39  ? -5.975  -7.109  -19.228 1.00 11.34 ? 39  GLN A N   1 
ATOM   308  C CA  . GLN A 1 39  ? -6.506  -7.837  -20.373 1.00 11.14 ? 39  GLN A CA  1 
ATOM   309  C C   . GLN A 1 39  ? -5.480  -8.853  -20.840 1.00 7.23  ? 39  GLN A C   1 
ATOM   310  O O   . GLN A 1 39  ? -4.352  -8.487  -21.198 1.00 10.80 ? 39  GLN A O   1 
ATOM   311  C CB  . GLN A 1 39  ? -6.857  -6.886  -21.509 1.00 9.76  ? 39  GLN A CB  1 
ATOM   312  C CG  . GLN A 1 39  ? -7.442  -7.601  -22.708 1.00 12.31 ? 39  GLN A CG  1 
ATOM   313  C CD  . GLN A 1 39  ? -8.138  -6.629  -23.637 1.00 15.42 ? 39  GLN A CD  1 
ATOM   314  O OE1 . GLN A 1 39  ? -7.568  -5.604  -23.996 1.00 19.32 ? 39  GLN A OE1 1 
ATOM   315  N NE2 . GLN A 1 39  ? -9.376  -6.936  -24.014 1.00 14.89 ? 39  GLN A NE2 1 
ATOM   316  N N   . ALA A 1 40  ? -5.883  -10.111 -20.844 1.00 10.06 ? 40  ALA A N   1 
ATOM   317  C CA  . ALA A 1 40  ? -5.122  -11.170 -21.485 1.00 13.24 ? 40  ALA A CA  1 
ATOM   318  C C   . ALA A 1 40  ? -5.539  -11.263 -22.946 1.00 10.27 ? 40  ALA A C   1 
ATOM   319  O O   . ALA A 1 40  ? -6.705  -11.017 -23.271 1.00 14.55 ? 40  ALA A O   1 
ATOM   320  C CB  . ALA A 1 40  ? -5.381  -12.508 -20.793 1.00 12.41 ? 40  ALA A CB  1 
ATOM   321  N N   . PRO A 1 41  ? -4.614  -11.608 -23.844 1.00 9.71  ? 41  PRO A N   1 
ATOM   322  C CA  . PRO A 1 41  ? -4.954  -11.661 -25.274 1.00 10.69 ? 41  PRO A CA  1 
ATOM   323  C C   . PRO A 1 41  ? -6.201  -12.494 -25.534 1.00 11.85 ? 41  PRO A C   1 
ATOM   324  O O   . PRO A 1 41  ? -6.333  -13.623 -25.048 1.00 13.79 ? 41  PRO A O   1 
ATOM   325  C CB  . PRO A 1 41  ? -3.706  -12.292 -25.905 1.00 12.67 ? 41  PRO A CB  1 
ATOM   326  C CG  . PRO A 1 41  ? -2.586  -11.798 -25.011 1.00 10.83 ? 41  PRO A CG  1 
ATOM   327  C CD  . PRO A 1 41  ? -3.176  -11.852 -23.609 1.00 15.30 ? 41  PRO A CD  1 
ATOM   328  N N   . GLY A 1 42  ? -7.138  -11.913 -26.281 1.00 11.02 ? 42  GLY A N   1 
ATOM   329  C CA  . GLY A 1 42  ? -8.352  -12.599 -26.653 1.00 12.81 ? 42  GLY A CA  1 
ATOM   330  C C   . GLY A 1 42  ? -9.479  -12.521 -25.646 1.00 11.68 ? 42  GLY A C   1 
ATOM   331  O O   . GLY A 1 42  ? -10.595 -12.961 -25.956 1.00 12.82 ? 42  GLY A O   1 
ATOM   332  N N   . LYS A 1 43  ? -9.234  -11.976 -24.456 1.00 10.65 ? 43  LYS A N   1 
ATOM   333  C CA  . LYS A 1 43  ? -10.221 -11.941 -23.388 1.00 10.36 ? 43  LYS A CA  1 
ATOM   334  C C   . LYS A 1 43  ? -10.715 -10.520 -23.148 1.00 8.81  ? 43  LYS A C   1 
ATOM   335  O O   . LYS A 1 43  ? -10.009 -9.543  -23.430 1.00 9.98  ? 43  LYS A O   1 
ATOM   336  C CB  . LYS A 1 43  ? -9.628  -12.502 -22.088 1.00 9.22  ? 43  LYS A CB  1 
ATOM   337  C CG  . LYS A 1 43  ? -8.991  -13.871 -22.254 1.00 17.24 ? 43  LYS A CG  1 
ATOM   338  C CD  . LYS A 1 43  ? -9.983  -14.915 -22.762 1.00 25.90 ? 43  LYS A CD  1 
ATOM   339  C CE  . LYS A 1 43  ? -9.310  -16.273 -22.996 1.00 34.24 ? 43  LYS A CE  1 
ATOM   340  N NZ  . LYS A 1 43  ? -8.568  -16.326 -24.293 1.00 42.01 ? 43  LYS A NZ  1 
ATOM   341  N N   . GLN A 1 44  ? -11.939 -10.429 -22.613 1.00 9.57  ? 44  GLN A N   1 
ATOM   342  C CA  . GLN A 1 44  ? -12.515 -9.163  -22.184 1.00 9.89  ? 44  GLN A CA  1 
ATOM   343  C C   . GLN A 1 44  ? -11.695 -8.583  -21.039 1.00 10.98 ? 44  GLN A C   1 
ATOM   344  O O   . GLN A 1 44  ? -11.141 -9.318  -20.210 1.00 10.17 ? 44  GLN A O   1 
ATOM   345  C CB  . GLN A 1 44  ? -13.971 -9.371  -21.742 1.00 10.09 ? 44  GLN A CB  1 
ATOM   346  C CG  . GLN A 1 44  ? -14.718 -8.111  -21.339 1.00 12.08 ? 44  GLN A CG  1 
ATOM   347  C CD  . GLN A 1 44  ? -16.224 -8.349  -21.171 1.00 12.12 ? 44  GLN A CD  1 
ATOM   348  O OE1 . GLN A 1 44  ? -16.682 -9.484  -21.048 1.00 11.25 ? 44  GLN A OE1 1 
ATOM   349  N NE2 . GLN A 1 44  ? -16.991 -7.272  -21.174 1.00 16.28 ? 44  GLN A NE2 1 
ATOM   350  N N   . ARG A 1 45  ? -11.610 -7.252  -21.003 1.00 11.18 ? 45  ARG A N   1 
ATOM   351  C CA  . ARG A 1 45  ? -10.905 -6.587  -19.913 1.00 9.86  ? 45  ARG A CA  1 
ATOM   352  C C   . ARG A 1 45  ? -11.527 -6.970  -18.578 1.00 14.06 ? 45  ARG A C   1 
ATOM   353  O O   . ARG A 1 45  ? -12.747 -7.107  -18.466 1.00 12.64 ? 45  ARG A O   1 
ATOM   354  C CB  . ARG A 1 45  ? -10.930 -5.068  -20.106 1.00 13.39 ? 45  ARG A CB  1 
ATOM   355  C CG  . ARG A 1 45  ? -9.792  -4.624  -21.015 1.00 24.26 ? 45  ARG A CG  1 
ATOM   356  C CD  . ARG A 1 45  ? -9.658  -3.113  -21.215 1.00 24.87 ? 45  ARG A CD  1 
ATOM   357  N NE  . ARG A 1 45  ? -9.007  -2.864  -22.503 1.00 28.55 ? 45  ARG A NE  1 
ATOM   358  C CZ  . ARG A 1 45  ? -8.590  -1.676  -22.930 1.00 33.01 ? 45  ARG A CZ  1 
ATOM   359  N NH1 . ARG A 1 45  ? -8.751  -0.602  -22.175 1.00 31.75 ? 45  ARG A NH1 1 
ATOM   360  N NH2 . ARG A 1 45  ? -8.005  -1.564  -24.117 1.00 28.38 ? 45  ARG A NH2 1 
ATOM   361  N N   A GLU A 1 46  ? -10.688 -7.162  -17.563 0.53 7.85  ? 46  GLU A N   1 
ATOM   362  N N   B GLU A 1 46  ? -10.656 -7.189  -17.589 0.47 7.74  ? 46  GLU A N   1 
ATOM   363  C CA  A GLU A 1 46  ? -11.154 -7.524  -16.227 0.53 10.90 ? 46  GLU A CA  1 
ATOM   364  C CA  B GLU A 1 46  ? -11.004 -7.517  -16.210 0.47 10.45 ? 46  GLU A CA  1 
ATOM   365  C C   A GLU A 1 46  ? -10.677 -6.484  -15.226 0.53 8.88  ? 46  GLU A C   1 
ATOM   366  C C   B GLU A 1 46  ? -10.688 -6.324  -15.323 0.47 9.04  ? 46  GLU A C   1 
ATOM   367  O O   A GLU A 1 46  ? -9.482  -6.184  -15.164 0.53 10.07 ? 46  GLU A O   1 
ATOM   368  O O   B GLU A 1 46  ? -9.604  -5.750  -15.427 0.47 12.36 ? 46  GLU A O   1 
ATOM   369  C CB  A GLU A 1 46  ? -10.639 -8.896  -15.789 0.53 15.59 ? 46  GLU A CB  1 
ATOM   370  C CB  B GLU A 1 46  ? -10.179 -8.701  -15.687 0.47 15.14 ? 46  GLU A CB  1 
ATOM   371  C CG  A GLU A 1 46  ? -10.432 -9.920  -16.873 0.53 20.23 ? 46  GLU A CG  1 
ATOM   372  C CG  B GLU A 1 46  ? -10.303 -10.018 -16.397 0.47 19.68 ? 46  GLU A CG  1 
ATOM   373  C CD  A GLU A 1 46  ? -9.491  -11.011 -16.403 0.53 16.04 ? 46  GLU A CD  1 
ATOM   374  C CD  B GLU A 1 46  ? -9.556  -11.121 -15.661 0.47 21.56 ? 46  GLU A CD  1 
ATOM   375  O OE1 A GLU A 1 46  ? -9.543  -11.363 -15.202 0.53 25.28 ? 46  GLU A OE1 1 
ATOM   376  O OE1 B GLU A 1 46  ? -8.688  -10.808 -14.809 0.47 14.34 ? 46  GLU A OE1 1 
ATOM   377  O OE2 A GLU A 1 46  ? -8.679  -11.491 -17.215 0.53 20.09 ? 46  GLU A OE2 1 
ATOM   378  O OE2 B GLU A 1 46  ? -9.852  -12.305 -15.916 0.47 20.39 ? 46  GLU A OE2 1 
ATOM   379  N N   . TRP A 1 47  ? -11.596 -5.964  -14.419 1.00 9.66  ? 47  TRP A N   1 
ATOM   380  C CA  . TRP A 1 47  ? -11.185 -4.991  -13.417 1.00 7.72  ? 47  TRP A CA  1 
ATOM   381  C C   . TRP A 1 47  ? -10.329 -5.686  -12.362 1.00 10.16 ? 47  TRP A C   1 
ATOM   382  O O   . TRP A 1 47  ? -10.468 -6.881  -12.093 1.00 10.59 ? 47  TRP A O   1 
ATOM   383  C CB  . TRP A 1 47  ? -12.374 -4.273  -12.768 1.00 9.62  ? 47  TRP A CB  1 
ATOM   384  C CG  . TRP A 1 47  ? -13.039 -5.013  -11.648 1.00 8.06  ? 47  TRP A CG  1 
ATOM   385  C CD1 . TRP A 1 47  ? -13.950 -6.023  -11.778 1.00 10.98 ? 47  TRP A CD1 1 
ATOM   386  C CD2 . TRP A 1 47  ? -12.889 -4.786  -10.239 1.00 9.15  ? 47  TRP A CD2 1 
ATOM   387  N NE1 . TRP A 1 47  ? -14.359 -6.456  -10.543 1.00 9.53  ? 47  TRP A NE1 1 
ATOM   388  C CE2 . TRP A 1 47  ? -13.734 -5.711  -9.578  1.00 7.82  ? 47  TRP A CE2 1 
ATOM   389  C CE3 . TRP A 1 47  ? -12.150 -3.885  -9.473  1.00 11.49 ? 47  TRP A CE3 1 
ATOM   390  C CZ2 . TRP A 1 47  ? -13.836 -5.777  -8.193  1.00 7.34  ? 47  TRP A CZ2 1 
ATOM   391  C CZ3 . TRP A 1 47  ? -12.255 -3.950  -8.083  1.00 10.20 ? 47  TRP A CZ3 1 
ATOM   392  C CH2 . TRP A 1 47  ? -13.104 -4.883  -7.464  1.00 11.17 ? 47  TRP A CH2 1 
ATOM   393  N N   . VAL A 1 48  ? -9.402  -4.913  -11.809 1.00 8.55  ? 48  VAL A N   1 
ATOM   394  C CA  . VAL A 1 48  ? -8.393  -5.384  -10.867 1.00 7.49  ? 48  VAL A CA  1 
ATOM   395  C C   . VAL A 1 48  ? -8.555  -4.718  -9.510  1.00 10.31 ? 48  VAL A C   1 
ATOM   396  O O   . VAL A 1 48  ? -8.679  -5.397  -8.481  1.00 9.52  ? 48  VAL A O   1 
ATOM   397  C CB  . VAL A 1 48  ? -6.970  -5.150  -11.422 1.00 10.59 ? 48  VAL A CB  1 
ATOM   398  C CG1 . VAL A 1 48  ? -5.917  -5.520  -10.378 1.00 11.66 ? 48  VAL A CG1 1 
ATOM   399  C CG2 . VAL A 1 48  ? -6.819  -5.914  -12.751 1.00 14.83 ? 48  VAL A CG2 1 
ATOM   400  N N   . ALA A 1 49  ? -8.549  -3.389  -9.483  1.00 10.36 ? 49  ALA A N   1 
ATOM   401  C CA  . ALA A 1 49  ? -8.715  -2.640  -8.246  1.00 8.44  ? 49  ALA A CA  1 
ATOM   402  C C   . ALA A 1 49  ? -9.279  -1.280  -8.613  1.00 10.71 ? 49  ALA A C   1 
ATOM   403  O O   . ALA A 1 49  ? -9.060  -0.786  -9.720  1.00 10.04 ? 49  ALA A O   1 
ATOM   404  C CB  . ALA A 1 49  ? -7.383  -2.488  -7.482  1.00 8.26  ? 49  ALA A CB  1 
ATOM   405  N N   . THR A 1 50  ? -10.006 -0.674  -7.683  1.00 9.48  ? 50  THR A N   1 
ATOM   406  C CA  . THR A 1 50  ? -10.600 0.627   -7.936  1.00 6.84  ? 50  THR A CA  1 
ATOM   407  C C   . THR A 1 50  ? -10.572 1.435   -6.649  1.00 9.43  ? 50  THR A C   1 
ATOM   408  O O   . THR A 1 50  ? -10.607 0.877   -5.553  1.00 9.20  ? 50  THR A O   1 
ATOM   409  C CB  . THR A 1 50  ? -12.030 0.467   -8.486  1.00 8.47  ? 50  THR A CB  1 
ATOM   410  O OG1 . THR A 1 50  ? -12.609 1.757   -8.739  1.00 9.68  ? 50  THR A OG1 1 
ATOM   411  C CG2 . THR A 1 50  ? -12.879 -0.302  -7.487  1.00 10.29 ? 50  THR A CG2 1 
ATOM   412  N N   . MET A 1 51  ? -10.497 2.754   -6.790  1.00 9.37  ? 51  MET A N   1 
ATOM   413  C CA  . MET A 1 51  ? -10.476 3.654   -5.635  1.00 7.38  ? 51  MET A CA  1 
ATOM   414  C C   . MET A 1 51  ? -11.328 4.873   -5.932  1.00 9.77  ? 51  MET A C   1 
ATOM   415  O O   . MET A 1 51  ? -11.074 5.562   -6.919  1.00 9.90  ? 51  MET A O   1 
ATOM   416  C CB  . MET A 1 51  ? -9.050  4.096   -5.282  1.00 10.53 ? 51  MET A CB  1 
ATOM   417  C CG  . MET A 1 51  ? -9.005  4.982   -4.020  1.00 10.45 ? 51  MET A CG  1 
ATOM   418  S SD  . MET A 1 51  ? -7.382  5.697   -3.700  1.00 11.91 ? 51  MET A SD  1 
ATOM   419  C CE  . MET A 1 51  ? -6.470  4.202   -3.354  1.00 9.71  ? 51  MET A CE  1 
ATOM   420  N N   . ARG A 1 52  ? -12.293 5.159   -5.050  1.00 10.30 ? 52  ARG A N   1 
ATOM   421  C CA  . ARG A 1 52  ? -13.172 6.321   -5.149  1.00 9.87  ? 52  ARG A CA  1 
ATOM   422  C C   . ARG A 1 52  ? -12.481 7.559   -4.596  1.00 8.81  ? 52  ARG A C   1 
ATOM   423  O O   . ARG A 1 52  ? -11.437 7.481   -3.943  1.00 10.57 ? 52  ARG A O   1 
ATOM   424  C CB  . ARG A 1 52  ? -14.474 6.102   -4.371  1.00 15.46 ? 52  ARG A CB  1 
ATOM   425  C CG  . ARG A 1 52  ? -15.229 4.848   -4.705  1.00 18.79 ? 52  ARG A CG  1 
ATOM   426  C CD  . ARG A 1 52  ? -16.541 4.841   -3.931  1.00 17.13 ? 52  ARG A CD  1 
ATOM   427  N NE  . ARG A 1 52  ? -17.283 6.071   -4.176  1.00 15.55 ? 52  ARG A NE  1 
ATOM   428  C CZ  . ARG A 1 52  ? -18.152 6.618   -3.331  1.00 23.63 ? 52  ARG A CZ  1 
ATOM   429  N NH1 . ARG A 1 52  ? -18.403 6.046   -2.170  1.00 20.36 ? 52  ARG A NH1 1 
ATOM   430  N NH2 . ARG A 1 52  ? -18.771 7.748   -3.651  1.00 21.62 ? 52  ARG A NH2 1 
ATOM   431  N N   . SER A 1 53  ? -13.105 8.716   -4.842  1.00 9.95  ? 53  SER A N   1 
ATOM   432  C CA  . SER A 1 53  ? -12.587 9.978   -4.330  1.00 13.87 ? 53  SER A CA  1 
ATOM   433  C C   . SER A 1 53  ? -12.333 9.918   -2.830  1.00 13.37 ? 53  SER A C   1 
ATOM   434  O O   . SER A 1 53  ? -11.288 10.371  -2.349  1.00 12.87 ? 53  SER A O   1 
ATOM   435  C CB  . SER A 1 53  ? -13.567 11.105  -4.655  1.00 15.87 ? 53  SER A CB  1 
ATOM   436  O OG  . SER A 1 53  ? -14.846 10.837  -4.094  1.00 18.45 ? 53  SER A OG  1 
ATOM   437  N N   . ILE A 1 54  ? -13.279 9.360   -2.068  1.00 10.48 ? 54  ILE A N   1 
ATOM   438  C CA  . ILE A 1 54  ? -13.115 9.320   -0.616  1.00 11.90 ? 54  ILE A CA  1 
ATOM   439  C C   . ILE A 1 54  ? -12.159 8.230   -0.168  1.00 11.96 ? 54  ILE A C   1 
ATOM   440  O O   . ILE A 1 54  ? -11.998 8.015   1.039   1.00 12.06 ? 54  ILE A O   1 
ATOM   441  C CB  . ILE A 1 54  ? -14.467 9.125   0.092   1.00 13.66 ? 54  ILE A CB  1 
ATOM   442  C CG1 . ILE A 1 54  ? -15.096 7.806   -0.348  1.00 12.38 ? 54  ILE A CG1 1 
ATOM   443  C CG2 . ILE A 1 54  ? -15.371 10.322  -0.179  1.00 17.27 ? 54  ILE A CG2 1 
ATOM   444  C CD1 . ILE A 1 54  ? -16.204 7.337   0.556   1.00 14.76 ? 54  ILE A CD1 1 
ATOM   445  N N   . GLY A 1 55  ? -11.510 7.539   -1.092  1.00 10.09 ? 55  GLY A N   1 
ATOM   446  C CA  . GLY A 1 55  ? -10.447 6.621   -0.743  1.00 11.89 ? 55  GLY A CA  1 
ATOM   447  C C   . GLY A 1 55  ? -10.853 5.165   -0.660  1.00 5.41  ? 55  GLY A C   1 
ATOM   448  O O   . GLY A 1 55  ? -9.966  4.304   -0.553  1.00 8.87  ? 55  GLY A O   1 
ATOM   449  N N   . THR A 1 56  ? -12.149 4.858   -0.703  1.00 7.15  ? 56  THR A N   1 
ATOM   450  C CA  . THR A 1 56  ? -12.553 3.468   -0.588  1.00 6.25  ? 56  THR A CA  1 
ATOM   451  C C   . THR A 1 56  ? -11.977 2.683   -1.749  1.00 8.13  ? 56  THR A C   1 
ATOM   452  O O   . THR A 1 56  ? -12.178 3.039   -2.915  1.00 9.46  ? 56  THR A O   1 
ATOM   453  C CB  . THR A 1 56  ? -14.074 3.345   -0.556  1.00 10.61 ? 56  THR A CB  1 
ATOM   454  O OG1 . THR A 1 56  ? -14.569 4.118   0.543   1.00 11.60 ? 56  THR A OG1 1 
ATOM   455  C CG2 . THR A 1 56  ? -14.483 1.884   -0.383  1.00 8.62  ? 56  THR A CG2 1 
ATOM   456  N N   . THR A 1 57  ? -11.273 1.609   -1.423  1.00 8.17  ? 57  THR A N   1 
ATOM   457  C CA  . THR A 1 57  ? -10.515 0.823   -2.373  1.00 6.21  ? 57  THR A CA  1 
ATOM   458  C C   . THR A 1 57  ? -11.089 -0.577  -2.396  1.00 8.20  ? 57  THR A C   1 
ATOM   459  O O   . THR A 1 57  ? -11.244 -1.207  -1.341  1.00 7.76  ? 57  THR A O   1 
ATOM   460  C CB  . THR A 1 57  ? -9.044  0.799   -1.967  1.00 6.46  ? 57  THR A CB  1 
ATOM   461  O OG1 . THR A 1 57  ? -8.601  2.152   -1.803  1.00 7.97  ? 57  THR A OG1 1 
ATOM   462  C CG2 . THR A 1 57  ? -8.201  0.069   -3.015  1.00 7.56  ? 57  THR A CG2 1 
ATOM   463  N N   . ARG A 1 58  ? -11.383 -1.070  -3.592  1.00 8.59  ? 58  ARG A N   1 
ATOM   464  C CA  . ARG A 1 58  ? -11.964 -2.389  -3.765  1.00 7.81  ? 58  ARG A CA  1 
ATOM   465  C C   . ARG A 1 58  ? -11.059 -3.214  -4.660  1.00 7.54  ? 58  ARG A C   1 
ATOM   466  O O   . ARG A 1 58  ? -10.333 -2.665  -5.494  1.00 8.32  ? 58  ARG A O   1 
ATOM   467  C CB  . ARG A 1 58  ? -13.368 -2.276  -4.354  1.00 6.86  ? 58  ARG A CB  1 
ATOM   468  C CG  . ARG A 1 58  ? -14.351 -1.682  -3.331  1.00 6.95  ? 58  ARG A CG  1 
ATOM   469  C CD  . ARG A 1 58  ? -15.683 -1.278  -3.955  1.00 6.52  ? 58  ARG A CD  1 
ATOM   470  N NE  . ARG A 1 58  ? -16.701 -1.057  -2.926  1.00 8.26  ? 58  ARG A NE  1 
ATOM   471  C CZ  . ARG A 1 58  ? -17.115 0.137   -2.510  1.00 8.00  ? 58  ARG A CZ  1 
ATOM   472  N NH1 . ARG A 1 58  ? -16.604 1.250   -3.024  1.00 9.06  ? 58  ARG A NH1 1 
ATOM   473  N NH2 . ARG A 1 58  ? -18.045 0.211   -1.566  1.00 9.51  ? 58  ARG A NH2 1 
ATOM   474  N N   . TYR A 1 59  ? -11.114 -4.542  -4.489  1.00 8.34  ? 59  TYR A N   1 
ATOM   475  C CA  . TYR A 1 59  ? -10.238 -5.465  -5.203  1.00 6.33  ? 59  TYR A CA  1 
ATOM   476  C C   . TYR A 1 59  ? -11.013 -6.627  -5.790  1.00 6.83  ? 59  TYR A C   1 
ATOM   477  O O   . TYR A 1 59  ? -11.913 -7.179  -5.144  1.00 9.61  ? 59  TYR A O   1 
ATOM   478  C CB  . TYR A 1 59  ? -9.170  -6.044  -4.280  1.00 7.01  ? 59  TYR A CB  1 
ATOM   479  C CG  . TYR A 1 59  ? -8.253  -5.005  -3.690  1.00 6.55  ? 59  TYR A CG  1 
ATOM   480  C CD1 . TYR A 1 59  ? -7.093  -4.612  -4.365  1.00 10.20 ? 59  TYR A CD1 1 
ATOM   481  C CD2 . TYR A 1 59  ? -8.530  -4.416  -2.456  1.00 7.94  ? 59  TYR A CD2 1 
ATOM   482  C CE1 . TYR A 1 59  ? -6.241  -3.676  -3.838  1.00 8.25  ? 59  TYR A CE1 1 
ATOM   483  C CE2 . TYR A 1 59  ? -7.663  -3.457  -1.917  1.00 6.69  ? 59  TYR A CE2 1 
ATOM   484  C CZ  . TYR A 1 59  ? -6.519  -3.103  -2.613  1.00 7.64  ? 59  TYR A CZ  1 
ATOM   485  O OH  . TYR A 1 59  ? -5.647  -2.180  -2.078  1.00 7.44  ? 59  TYR A OH  1 
ATOM   486  N N   . ALA A 1 60  ? -10.623 -7.022  -7.001  1.00 7.99  ? 60  ALA A N   1 
ATOM   487  C CA  . ALA A 1 60  ? -11.210 -8.202  -7.606  1.00 8.20  ? 60  ALA A CA  1 
ATOM   488  C C   . ALA A 1 60  ? -10.822 -9.450  -6.828  1.00 10.38 ? 60  ALA A C   1 
ATOM   489  O O   . ALA A 1 60  ? -9.752  -9.519  -6.224  1.00 11.27 ? 60  ALA A O   1 
ATOM   490  C CB  . ALA A 1 60  ? -10.757 -8.319  -9.067  1.00 9.14  ? 60  ALA A CB  1 
ATOM   491  N N   . SER A 1 61  ? -11.724 -10.445 -6.823  1.00 9.90  ? 61  SER A N   1 
ATOM   492  C CA  . SER A 1 61  ? -11.445 -11.647 -6.040  1.00 9.51  ? 61  SER A CA  1 
ATOM   493  C C   . SER A 1 61  ? -10.137 -12.325 -6.458  1.00 10.83 ? 61  SER A C   1 
ATOM   494  O O   . SER A 1 61  ? -9.520  -13.021 -5.640  1.00 15.15 ? 61  SER A O   1 
ATOM   495  C CB  . SER A 1 61  ? -12.608 -12.633 -6.158  1.00 11.01 ? 61  SER A CB  1 
ATOM   496  O OG  . SER A 1 61  ? -12.761 -13.103 -7.489  1.00 12.33 ? 61  SER A OG  1 
ATOM   497  N N   . SER A 1 62  ? -9.689  -12.108 -7.699  1.00 13.51 ? 62  SER A N   1 
ATOM   498  C CA  . SER A 1 62  ? -8.469  -12.725 -8.215  1.00 17.38 ? 62  SER A CA  1 
ATOM   499  C C   . SER A 1 62  ? -7.181  -12.172 -7.600  1.00 13.89 ? 62  SER A C   1 
ATOM   500  O O   . SER A 1 62  ? -6.143  -12.845 -7.675  1.00 15.09 ? 62  SER A O   1 
ATOM   501  C CB  . SER A 1 62  ? -8.420  -12.532 -9.731  1.00 16.14 ? 62  SER A CB  1 
ATOM   502  O OG  . SER A 1 62  ? -8.742  -11.185 -10.049 1.00 18.73 ? 62  SER A OG  1 
ATOM   503  N N   . VAL A 1 63  ? -7.202  -10.970 -7.017  1.00 12.72 ? 63  VAL A N   1 
ATOM   504  C CA  . VAL A 1 63  ? -5.963  -10.311 -6.608  1.00 10.99 ? 63  VAL A CA  1 
ATOM   505  C C   . VAL A 1 63  ? -6.030  -9.858  -5.157  1.00 9.74  ? 63  VAL A C   1 
ATOM   506  O O   . VAL A 1 63  ? -5.037  -9.357  -4.607  1.00 10.16 ? 63  VAL A O   1 
ATOM   507  C CB  . VAL A 1 63  ? -5.637  -9.118  -7.527  1.00 7.23  ? 63  VAL A CB  1 
ATOM   508  C CG1 . VAL A 1 63  ? -5.557  -9.576  -8.987  1.00 12.56 ? 63  VAL A CG1 1 
ATOM   509  C CG2 . VAL A 1 63  ? -6.667  -7.996  -7.366  1.00 8.69  ? 63  VAL A CG2 1 
ATOM   510  N N   . GLU A 1 64  ? -7.203  -10.007 -4.545  1.00 14.69 ? 64  GLU A N   1 
ATOM   511  C CA  . GLU A 1 64  ? -7.383  -9.676  -3.139  1.00 11.07 ? 64  GLU A CA  1 
ATOM   512  C C   . GLU A 1 64  ? -6.321  -10.370 -2.297  1.00 9.54  ? 64  GLU A C   1 
ATOM   513  O O   . GLU A 1 64  ? -6.061  -11.561 -2.475  1.00 13.25 ? 64  GLU A O   1 
ATOM   514  C CB  . GLU A 1 64  ? -8.793  -10.105 -2.706  1.00 20.12 ? 64  GLU A CB  1 
ATOM   515  C CG  . GLU A 1 64  ? -9.044  -10.136 -1.214  1.00 22.93 ? 64  GLU A CG  1 
ATOM   516  C CD  . GLU A 1 64  ? -8.634  -11.452 -0.563  1.00 16.02 ? 64  GLU A CD  1 
ATOM   517  O OE1 . GLU A 1 64  ? -9.013  -12.553 -1.048  1.00 26.35 ? 64  GLU A OE1 1 
ATOM   518  O OE2 . GLU A 1 64  ? -7.912  -11.386 0.432   1.00 20.91 ? 64  GLU A OE2 1 
ATOM   519  N N   . GLY A 1 65  ? -5.699  -9.614  -1.393  1.00 11.29 ? 65  GLY A N   1 
ATOM   520  C CA  . GLY A 1 65  ? -4.696  -10.145 -0.492  1.00 11.47 ? 65  GLY A CA  1 
ATOM   521  C C   . GLY A 1 65  ? -3.296  -10.209 -1.059  1.00 9.01  ? 65  GLY A C   1 
ATOM   522  O O   . GLY A 1 65  ? -2.369  -10.600 -0.335  1.00 10.28 ? 65  GLY A O   1 
ATOM   523  N N   . ARG A 1 66  ? -3.118  -9.856  -2.324  1.00 8.83  ? 66  ARG A N   1 
ATOM   524  C CA  . ARG A 1 66  ? -1.817  -9.864  -2.998  1.00 8.68  ? 66  ARG A CA  1 
ATOM   525  C C   . ARG A 1 66  ? -1.462  -8.516  -3.604  1.00 8.80  ? 66  ARG A C   1 
ATOM   526  O O   . ARG A 1 66  ? -0.289  -8.127  -3.584  1.00 10.60 ? 66  ARG A O   1 
ATOM   527  C CB  . ARG A 1 66  ? -1.770  -10.939 -4.109  1.00 10.23 ? 66  ARG A CB  1 
ATOM   528  C CG  . ARG A 1 66  ? -2.051  -12.354 -3.627  1.00 11.01 ? 66  ARG A CG  1 
ATOM   529  C CD  . ARG A 1 66  ? -1.907  -13.411 -4.745  1.00 12.87 ? 66  ARG A CD  1 
ATOM   530  N NE  . ARG A 1 66  ? -2.844  -13.188 -5.853  1.00 10.55 ? 66  ARG A NE  1 
ATOM   531  C CZ  . ARG A 1 66  ? -2.470  -12.880 -7.090  1.00 11.91 ? 66  ARG A CZ  1 
ATOM   532  N NH1 . ARG A 1 66  ? -3.390  -12.684 -8.034  1.00 9.59  ? 66  ARG A NH1 1 
ATOM   533  N NH2 . ARG A 1 66  ? -1.177  -12.783 -7.389  1.00 9.98  ? 66  ARG A NH2 1 
ATOM   534  N N   . PHE A 1 67  ? -2.439  -7.813  -4.174  1.00 10.45 ? 67  PHE A N   1 
ATOM   535  C CA  . PHE A 1 67  ? -2.230  -6.517  -4.810  1.00 9.11  ? 67  PHE A CA  1 
ATOM   536  C C   . PHE A 1 67  ? -2.716  -5.407  -3.889  1.00 9.42  ? 67  PHE A C   1 
ATOM   537  O O   . PHE A 1 67  ? -3.780  -5.520  -3.292  1.00 10.98 ? 67  PHE A O   1 
ATOM   538  C CB  . PHE A 1 67  ? -3.010  -6.408  -6.130  1.00 7.34  ? 67  PHE A CB  1 
ATOM   539  C CG  . PHE A 1 67  ? -2.489  -7.270  -7.250  1.00 9.89  ? 67  PHE A CG  1 
ATOM   540  C CD1 . PHE A 1 67  ? -1.559  -8.287  -7.030  1.00 11.17 ? 67  PHE A CD1 1 
ATOM   541  C CD2 . PHE A 1 67  ? -2.941  -7.051  -8.539  1.00 10.44 ? 67  PHE A CD2 1 
ATOM   542  C CE1 . PHE A 1 67  ? -1.098  -9.063  -8.093  1.00 11.87 ? 67  PHE A CE1 1 
ATOM   543  C CE2 . PHE A 1 67  ? -2.485  -7.814  -9.594  1.00 13.54 ? 67  PHE A CE2 1 
ATOM   544  C CZ  . PHE A 1 67  ? -1.570  -8.820  -9.368  1.00 11.32 ? 67  PHE A CZ  1 
ATOM   545  N N   . THR A 1 68  ? -1.973  -4.308  -3.821  1.00 7.40  ? 68  THR A N   1 
ATOM   546  C CA  . THR A 1 68  ? -2.380  -3.150  -3.032  1.00 7.69  ? 68  THR A CA  1 
ATOM   547  C C   . THR A 1 68  ? -2.469  -1.923  -3.925  1.00 6.64  ? 68  THR A C   1 
ATOM   548  O O   . THR A 1 68  ? -1.507  -1.597  -4.622  1.00 8.84  ? 68  THR A O   1 
ATOM   549  C CB  . THR A 1 68  ? -1.406  -2.889  -1.890  1.00 8.13  ? 68  THR A CB  1 
ATOM   550  O OG1 . THR A 1 68  ? -1.387  -4.031  -1.037  1.00 10.43 ? 68  THR A OG1 1 
ATOM   551  C CG2 . THR A 1 68  ? -1.831  -1.673  -1.064  1.00 9.55  ? 68  THR A CG2 1 
ATOM   552  N N   . LEU A 1 69  ? -3.621  -1.259  -3.913  1.00 8.78  ? 69  LEU A N   1 
ATOM   553  C CA  . LEU A 1 69  ? -3.832  -0.024  -4.654  1.00 9.93  ? 69  LEU A CA  1 
ATOM   554  C C   . LEU A 1 69  ? -3.752  1.156   -3.698  1.00 7.52  ? 69  LEU A C   1 
ATOM   555  O O   . LEU A 1 69  ? -4.459  1.189   -2.684  1.00 9.64  ? 69  LEU A O   1 
ATOM   556  C CB  . LEU A 1 69  ? -5.186  -0.034  -5.371  1.00 8.85  ? 69  LEU A CB  1 
ATOM   557  C CG  . LEU A 1 69  ? -5.593  1.290   -6.039  1.00 8.92  ? 69  LEU A CG  1 
ATOM   558  C CD1 . LEU A 1 69  ? -4.517  1.740   -7.041  1.00 6.43  ? 69  LEU A CD1 1 
ATOM   559  C CD2 . LEU A 1 69  ? -6.902  1.124   -6.754  1.00 13.78 ? 69  LEU A CD2 1 
ATOM   560  N N   . SER A 1 70  ? -2.896  2.120   -4.021  1.00 6.49  ? 70  SER A N   1 
ATOM   561  C CA  . SER A 1 70  ? -2.678  3.277   -3.173  1.00 8.92  ? 70  SER A CA  1 
ATOM   562  C C   . SER A 1 70  ? -2.732  4.547   -4.014  1.00 12.78 ? 70  SER A C   1 
ATOM   563  O O   . SER A 1 70  ? -2.635  4.518   -5.245  1.00 9.96  ? 70  SER A O   1 
ATOM   564  C CB  . SER A 1 70  ? -1.333  3.182   -2.438  1.00 8.90  ? 70  SER A CB  1 
ATOM   565  O OG  . SER A 1 70  ? -0.265  3.042   -3.375  1.00 9.41  ? 70  SER A OG  1 
ATOM   566  N N   . ARG A 1 71  ? -2.872  5.668   -3.324  1.00 8.97  ? 71  ARG A N   1 
ATOM   567  C CA  . ARG A 1 71  ? -2.970  6.969   -3.967  1.00 11.82 ? 71  ARG A CA  1 
ATOM   568  C C   . ARG A 1 71  ? -2.176  7.966   -3.146  1.00 10.50 ? 71  ARG A C   1 
ATOM   569  O O   . ARG A 1 71  ? -2.327  8.032   -1.923  1.00 13.25 ? 71  ARG A O   1 
ATOM   570  C CB  . ARG A 1 71  ? -4.429  7.421   -4.080  1.00 11.09 ? 71  ARG A CB  1 
ATOM   571  C CG  . ARG A 1 71  ? -4.619  8.783   -4.742  1.00 11.38 ? 71  ARG A CG  1 
ATOM   572  C CD  . ARG A 1 71  ? -6.106  9.069   -4.964  1.00 11.86 ? 71  ARG A CD  1 
ATOM   573  N NE  . ARG A 1 71  ? -6.779  9.399   -3.707  1.00 12.27 ? 71  ARG A NE  1 
ATOM   574  C CZ  . ARG A 1 71  ? -8.077  9.227   -3.477  1.00 9.10  ? 71  ARG A CZ  1 
ATOM   575  N NH1 . ARG A 1 71  ? -8.863  8.697   -4.406  1.00 11.01 ? 71  ARG A NH1 1 
ATOM   576  N NH2 . ARG A 1 71  ? -8.597  9.566   -2.303  1.00 11.58 ? 71  ARG A NH2 1 
ATOM   577  N N   . ASP A 1 72  ? -1.348  8.740   -3.808  1.00 12.91 ? 72  ASP A N   1 
ATOM   578  C CA  . ASP A 1 72  ? -0.660  9.835   -3.144  1.00 17.65 ? 72  ASP A CA  1 
ATOM   579  C C   . ASP A 1 72  ? -1.269  11.113  -3.701  1.00 16.50 ? 72  ASP A C   1 
ATOM   580  O O   . ASP A 1 72  ? -0.994  11.496  -4.839  1.00 16.54 ? 72  ASP A O   1 
ATOM   581  C CB  . ASP A 1 72  ? 0.845   9.755   -3.349  1.00 13.86 ? 72  ASP A CB  1 
ATOM   582  C CG  . ASP A 1 72  ? 1.577   10.728  -2.460  1.00 27.78 ? 72  ASP A CG  1 
ATOM   583  O OD1 . ASP A 1 72  ? 1.572   11.919  -2.803  1.00 23.37 ? 72  ASP A OD1 1 
ATOM   584  O OD2 . ASP A 1 72  ? 2.078   10.307  -1.392  1.00 35.17 ? 72  ASP A OD2 1 
ATOM   585  N N   . ASN A 1 73  ? -2.143  11.730  -2.904  1.00 14.21 ? 73  ASN A N   1 
ATOM   586  C CA  . ASN A 1 73  ? -2.874  12.906  -3.358  1.00 13.23 ? 73  ASN A CA  1 
ATOM   587  C C   . ASN A 1 73  ? -1.926  14.008  -3.785  1.00 18.35 ? 73  ASN A C   1 
ATOM   588  O O   . ASN A 1 73  ? -2.117  14.633  -4.832  1.00 18.90 ? 73  ASN A O   1 
ATOM   589  C CB  . ASN A 1 73  ? -3.794  13.405  -2.249  1.00 16.29 ? 73  ASN A CB  1 
ATOM   590  C CG  . ASN A 1 73  ? -4.991  12.512  -2.044  1.00 16.30 ? 73  ASN A CG  1 
ATOM   591  O OD1 . ASN A 1 73  ? -5.047  11.409  -2.579  1.00 14.08 ? 73  ASN A OD1 1 
ATOM   592  N ND2 . ASN A 1 73  ? -5.950  12.974  -1.244  1.00 15.33 ? 73  ASN A ND2 1 
ATOM   593  N N   . ALA A 1 74  ? -0.891  14.251  -2.980  1.00 17.78 ? 74  ALA A N   1 
ATOM   594  C CA  . ALA A 1 74  ? 0.007   15.371  -3.244  1.00 23.04 ? 74  ALA A CA  1 
ATOM   595  C C   . ALA A 1 74  ? 0.685   15.231  -4.604  1.00 26.66 ? 74  ALA A C   1 
ATOM   596  O O   . ALA A 1 74  ? 0.812   16.211  -5.350  1.00 24.51 ? 74  ALA A O   1 
ATOM   597  C CB  . ALA A 1 74  ? 1.040   15.477  -2.122  1.00 26.32 ? 74  ALA A CB  1 
ATOM   598  N N   . LYS A 1 75  ? 1.090   14.016  -4.966  1.00 22.17 ? 75  LYS A N   1 
ATOM   599  C CA  . LYS A 1 75  ? 1.766   13.779  -6.236  1.00 19.82 ? 75  LYS A CA  1 
ATOM   600  C C   . LYS A 1 75  ? 0.824   13.386  -7.372  1.00 20.27 ? 75  LYS A C   1 
ATOM   601  O O   . LYS A 1 75  ? 1.296   13.162  -8.488  1.00 24.76 ? 75  LYS A O   1 
ATOM   602  C CB  . LYS A 1 75  ? 2.836   12.685  -6.065  1.00 24.87 ? 75  LYS A CB  1 
ATOM   603  C CG  . LYS A 1 75  ? 3.927   12.988  -5.032  1.00 27.70 ? 75  LYS A CG  1 
ATOM   604  C CD  . LYS A 1 75  ? 4.817   11.759  -4.816  1.00 30.71 ? 75  LYS A CD  1 
ATOM   605  C CE  . LYS A 1 75  ? 5.889   11.984  -3.756  1.00 31.52 ? 75  LYS A CE  1 
ATOM   606  N NZ  . LYS A 1 75  ? 6.985   12.883  -4.226  1.00 27.39 ? 75  LYS A NZ  1 
ATOM   607  N N   . ASN A 1 76  ? -0.483  13.292  -7.121  1.00 18.94 ? 76  ASN A N   1 
ATOM   608  C CA  . ASN A 1 76  ? -1.481  12.879  -8.120  1.00 11.90 ? 76  ASN A CA  1 
ATOM   609  C C   . ASN A 1 76  ? -1.073  11.601  -8.846  1.00 14.40 ? 76  ASN A C   1 
ATOM   610  O O   . ASN A 1 76  ? -1.126  11.507  -10.075 1.00 18.32 ? 76  ASN A O   1 
ATOM   611  C CB  . ASN A 1 76  ? -1.776  13.982  -9.141  1.00 18.33 ? 76  ASN A CB  1 
ATOM   612  C CG  . ASN A 1 76  ? -3.139  13.798  -9.799  1.00 17.75 ? 76  ASN A CG  1 
ATOM   613  O OD1 . ASN A 1 76  ? -4.097  13.392  -9.141  1.00 15.78 ? 76  ASN A OD1 1 
ATOM   614  N ND2 . ASN A 1 76  ? -3.229  14.062  -11.100 1.00 19.40 ? 76  ASN A ND2 1 
ATOM   615  N N   . THR A 1 77  ? -0.675  10.599  -8.074  1.00 17.74 ? 77  THR A N   1 
ATOM   616  C CA  . THR A 1 77  ? -0.233  9.332   -8.636  1.00 15.12 ? 77  THR A CA  1 
ATOM   617  C C   . THR A 1 77  ? -0.881  8.194   -7.873  1.00 11.74 ? 77  THR A C   1 
ATOM   618  O O   . THR A 1 77  ? -0.981  8.242   -6.643  1.00 13.17 ? 77  THR A O   1 
ATOM   619  C CB  . THR A 1 77  ? 1.296   9.190   -8.562  1.00 15.80 ? 77  THR A CB  1 
ATOM   620  O OG1 . THR A 1 77  ? 1.910   10.344  -9.145  1.00 18.95 ? 77  THR A OG1 1 
ATOM   621  C CG2 . THR A 1 77  ? 1.756   7.952   -9.325  1.00 14.63 ? 77  THR A CG2 1 
ATOM   622  N N   . VAL A 1 78  ? -1.322  7.168   -8.597  1.00 11.73 ? 78  VAL A N   1 
ATOM   623  C CA  . VAL A 1 78  ? -1.773  5.947   -7.953  1.00 8.72  ? 78  VAL A CA  1 
ATOM   624  C C   . VAL A 1 78  ? -0.768  4.852   -8.256  1.00 10.34 ? 78  VAL A C   1 
ATOM   625  O O   . VAL A 1 78  ? -0.046  4.894   -9.259  1.00 10.92 ? 78  VAL A O   1 
ATOM   626  C CB  . VAL A 1 78  ? -3.193  5.512   -8.372  1.00 9.28  ? 78  VAL A CB  1 
ATOM   627  C CG1 . VAL A 1 78  ? -4.206  6.576   -7.954  1.00 10.90 ? 78  VAL A CG1 1 
ATOM   628  C CG2 . VAL A 1 78  ? -3.248  5.281   -9.875  1.00 16.47 ? 78  VAL A CG2 1 
ATOM   629  N N   . TYR A 1 79  ? -0.712  3.874   -7.359  1.00 9.32  ? 79  TYR A N   1 
ATOM   630  C CA  . TYR A 1 79  ? 0.231   2.776   -7.473  1.00 6.73  ? 79  TYR A CA  1 
ATOM   631  C C   . TYR A 1 79  ? -0.485  1.458   -7.266  1.00 7.71  ? 79  TYR A C   1 
ATOM   632  O O   . TYR A 1 79  ? -1.359  1.345   -6.403  1.00 9.36  ? 79  TYR A O   1 
ATOM   633  C CB  . TYR A 1 79  ? 1.325   2.888   -6.424  1.00 6.14  ? 79  TYR A CB  1 
ATOM   634  C CG  . TYR A 1 79  ? 2.074   4.176   -6.480  1.00 11.70 ? 79  TYR A CG  1 
ATOM   635  C CD1 . TYR A 1 79  ? 3.172   4.323   -7.313  1.00 11.95 ? 79  TYR A CD1 1 
ATOM   636  C CD2 . TYR A 1 79  ? 1.689   5.248   -5.688  1.00 12.61 ? 79  TYR A CD2 1 
ATOM   637  C CE1 . TYR A 1 79  ? 3.867   5.524   -7.367  1.00 15.50 ? 79  TYR A CE1 1 
ATOM   638  C CE2 . TYR A 1 79  ? 2.374   6.440   -5.734  1.00 14.38 ? 79  TYR A CE2 1 
ATOM   639  C CZ  . TYR A 1 79  ? 3.461   6.567   -6.568  1.00 19.39 ? 79  TYR A CZ  1 
ATOM   640  O OH  . TYR A 1 79  ? 4.136   7.770   -6.594  1.00 26.36 ? 79  TYR A OH  1 
ATOM   641  N N   . LEU A 1 80  ? -0.085  0.457   -8.036  1.00 8.29  ? 80  LEU A N   1 
ATOM   642  C CA  . LEU A 1 80  ? -0.573  -0.907  -7.886  1.00 10.03 ? 80  LEU A CA  1 
ATOM   643  C C   . LEU A 1 80  ? 0.632   -1.740  -7.481  1.00 8.08  ? 80  LEU A C   1 
ATOM   644  O O   . LEU A 1 80  ? 1.523   -1.989  -8.306  1.00 8.39  ? 80  LEU A O   1 
ATOM   645  C CB  . LEU A 1 80  ? -1.196  -1.424  -9.180  1.00 10.99 ? 80  LEU A CB  1 
ATOM   646  C CG  . LEU A 1 80  ? -1.928  -2.761  -9.007  1.00 10.01 ? 80  LEU A CG  1 
ATOM   647  C CD1 . LEU A 1 80  ? -3.029  -2.606  -7.983  1.00 11.22 ? 80  LEU A CD1 1 
ATOM   648  C CD2 . LEU A 1 80  ? -2.509  -3.279  -10.322 1.00 11.79 ? 80  LEU A CD2 1 
ATOM   649  N N   . GLN A 1 81  ? 0.687   -2.127  -6.208  1.00 7.78  ? 81  GLN A N   1 
ATOM   650  C CA  . GLN A 1 81  ? 1.813   -2.900  -5.686  1.00 8.17  ? 81  GLN A CA  1 
ATOM   651  C C   . GLN A 1 81  ? 1.423   -4.370  -5.713  1.00 6.15  ? 81  GLN A C   1 
ATOM   652  O O   . GLN A 1 81  ? 0.536   -4.800  -4.968  1.00 8.93  ? 81  GLN A O   1 
ATOM   653  C CB  . GLN A 1 81  ? 2.194   -2.456  -4.275  1.00 7.78  ? 81  GLN A CB  1 
ATOM   654  C CG  . GLN A 1 81  ? 3.460   -3.139  -3.754  1.00 6.46  ? 81  GLN A CG  1 
ATOM   655  C CD  . GLN A 1 81  ? 4.640   -2.798  -4.617  1.00 10.75 ? 81  GLN A CD  1 
ATOM   656  O OE1 . GLN A 1 81  ? 4.839   -1.644  -4.976  1.00 11.95 ? 81  GLN A OE1 1 
ATOM   657  N NE2 . GLN A 1 81  ? 5.399   -3.811  -5.010  1.00 13.67 ? 81  GLN A NE2 1 
ATOM   658  N N   . MET A 1 82  ? 2.098   -5.138  -6.562  1.00 7.62  ? 82  MET A N   1 
ATOM   659  C CA  . MET A 1 82  ? 1.738   -6.525  -6.827  1.00 7.66  ? 82  MET A CA  1 
ATOM   660  C C   . MET A 1 82  ? 2.716   -7.438  -6.100  1.00 12.71 ? 82  MET A C   1 
ATOM   661  O O   . MET A 1 82  ? 3.908   -7.465  -6.421  1.00 13.63 ? 82  MET A O   1 
ATOM   662  C CB  . MET A 1 82  ? 1.751   -6.774  -8.331  1.00 9.01  ? 82  MET A CB  1 
ATOM   663  C CG  . MET A 1 82  ? 0.828   -5.833  -9.088  1.00 12.43 ? 82  MET A CG  1 
ATOM   664  S SD  . MET A 1 82  ? 1.213   -5.767  -10.864 1.00 24.08 ? 82  MET A SD  1 
ATOM   665  C CE  . MET A 1 82  ? 0.220   -7.079  -11.515 1.00 26.02 ? 82  MET A CE  1 
ATOM   666  N N   . ASN A 1 83  ? 2.216   -8.180  -5.121  1.00 8.39  ? 83  ASN A N   1 
ATOM   667  C CA  . ASN A 1 83  ? 3.019   -9.163  -4.413  1.00 9.08  ? 83  ASN A CA  1 
ATOM   668  C C   . ASN A 1 83  ? 2.519   -10.561 -4.738  1.00 8.13  ? 83  ASN A C   1 
ATOM   669  O O   . ASN A 1 83  ? 1.419   -10.744 -5.263  1.00 10.80 ? 83  ASN A O   1 
ATOM   670  C CB  . ASN A 1 83  ? 2.979   -8.907  -2.901  1.00 9.58  ? 83  ASN A CB  1 
ATOM   671  C CG  . ASN A 1 83  ? 3.925   -7.806  -2.481  1.00 12.74 ? 83  ASN A CG  1 
ATOM   672  O OD1 . ASN A 1 83  ? 5.134   -7.932  -2.646  1.00 16.86 ? 83  ASN A OD1 1 
ATOM   673  N ND2 . ASN A 1 83  ? 3.384   -6.728  -1.922  1.00 12.63 ? 83  ASN A ND2 1 
ATOM   674  N N   . SER A 1 84  ? 3.372   -11.543 -4.473  1.00 9.17  ? 84  SER A N   1 
ATOM   675  C CA  . SER A 1 84  ? 3.024   -12.950 -4.656  1.00 9.24  ? 84  SER A CA  1 
ATOM   676  C C   . SER A 1 84  ? 2.440   -13.203 -6.043  1.00 8.51  ? 84  SER A C   1 
ATOM   677  O O   . SER A 1 84  ? 1.382   -13.816 -6.203  1.00 12.01 ? 84  SER A O   1 
ATOM   678  C CB  . SER A 1 84  ? 2.061   -13.413 -3.566  1.00 12.17 ? 84  SER A CB  1 
ATOM   679  O OG  . SER A 1 84  ? 2.703   -13.385 -2.297  1.00 18.26 ? 84  SER A OG  1 
ATOM   680  N N   . LEU A 1 85  ? 3.159   -12.740 -7.061  1.00 9.12  ? 85  LEU A N   1 
ATOM   681  C CA  . LEU A 1 85  ? 2.637   -12.822 -8.417  1.00 9.94  ? 85  LEU A CA  1 
ATOM   682  C C   . LEU A 1 85  ? 2.492   -14.269 -8.893  1.00 8.66  ? 85  LEU A C   1 
ATOM   683  O O   . LEU A 1 85  ? 3.263   -15.162 -8.516  1.00 10.84 ? 85  LEU A O   1 
ATOM   684  C CB  . LEU A 1 85  ? 3.535   -12.040 -9.367  1.00 10.71 ? 85  LEU A CB  1 
ATOM   685  C CG  . LEU A 1 85  ? 3.300   -10.533 -9.318  1.00 11.52 ? 85  LEU A CG  1 
ATOM   686  C CD1 . LEU A 1 85  ? 4.470   -9.821  -9.969  1.00 13.53 ? 85  LEU A CD1 1 
ATOM   687  C CD2 . LEU A 1 85  ? 2.003   -10.194 -10.047 1.00 11.90 ? 85  LEU A CD2 1 
ATOM   688  N N   . LYS A 1 86  ? 1.468   -14.493 -9.728  1.00 8.24  ? 86  LYS A N   1 
ATOM   689  C CA  . LYS A 1 86  ? 1.134   -15.767 -10.354 1.00 9.99  ? 86  LYS A CA  1 
ATOM   690  C C   . LYS A 1 86  ? 1.283   -15.644 -11.865 1.00 10.79 ? 86  LYS A C   1 
ATOM   691  O O   . LYS A 1 86  ? 1.048   -14.568 -12.426 1.00 9.78  ? 86  LYS A O   1 
ATOM   692  C CB  . LYS A 1 86  ? -0.307  -16.205 -10.040 1.00 13.70 ? 86  LYS A CB  1 
ATOM   693  C CG  . LYS A 1 86  ? -0.637  -16.318 -8.565  1.00 16.58 ? 86  LYS A CG  1 
ATOM   694  C CD  . LYS A 1 86  ? -2.088  -16.761 -8.356  1.00 16.58 ? 86  LYS A CD  1 
ATOM   695  C CE  . LYS A 1 86  ? -2.419  -16.839 -6.862  1.00 21.81 ? 86  LYS A CE  1 
ATOM   696  N NZ  . LYS A 1 86  ? -3.839  -17.233 -6.627  1.00 33.27 ? 86  LYS A NZ  1 
ATOM   697  N N   . PRO A 1 87  ? 1.662   -16.721 -12.554 1.00 11.26 ? 87  PRO A N   1 
ATOM   698  C CA  . PRO A 1 87  ? 1.691   -16.671 -14.025 1.00 8.56  ? 87  PRO A CA  1 
ATOM   699  C C   . PRO A 1 87  ? 0.399   -16.142 -14.618 1.00 12.25 ? 87  PRO A C   1 
ATOM   700  O O   . PRO A 1 87  ? 0.428   -15.401 -15.610 1.00 11.72 ? 87  PRO A O   1 
ATOM   701  C CB  . PRO A 1 87  ? 1.934   -18.139 -14.410 1.00 8.94  ? 87  PRO A CB  1 
ATOM   702  C CG  . PRO A 1 87  ? 2.664   -18.701 -13.242 1.00 11.90 ? 87  PRO A CG  1 
ATOM   703  C CD  . PRO A 1 87  ? 2.070   -18.038 -12.036 1.00 10.98 ? 87  PRO A CD  1 
ATOM   704  N N   . GLU A 1 88  ? -0.736  -16.461 -13.995 1.00 8.99  ? 88  GLU A N   1 
ATOM   705  C CA  . GLU A 1 88  ? -2.036  -16.017 -14.472 1.00 10.79 ? 88  GLU A CA  1 
ATOM   706  C C   . GLU A 1 88  ? -2.238  -14.508 -14.338 1.00 11.63 ? 88  GLU A C   1 
ATOM   707  O O   . GLU A 1 88  ? -3.242  -13.992 -14.840 1.00 12.80 ? 88  GLU A O   1 
ATOM   708  C CB  . GLU A 1 88  ? -3.128  -16.764 -13.703 1.00 14.80 ? 88  GLU A CB  1 
ATOM   709  C CG  . GLU A 1 88  ? -3.201  -18.283 -13.967 1.00 18.67 ? 88  GLU A CG  1 
ATOM   710  C CD  . GLU A 1 88  ? -2.075  -19.113 -13.328 1.00 29.17 ? 88  GLU A CD  1 
ATOM   711  O OE1 . GLU A 1 88  ? -1.422  -18.661 -12.357 1.00 17.04 ? 88  GLU A OE1 1 
ATOM   712  O OE2 . GLU A 1 88  ? -1.846  -20.243 -13.815 1.00 28.86 ? 88  GLU A OE2 1 
ATOM   713  N N   . ASP A 1 89  ? -1.313  -13.791 -13.683 1.00 9.17  ? 89  ASP A N   1 
ATOM   714  C CA  . ASP A 1 89  ? -1.387  -12.337 -13.623 1.00 10.77 ? 89  ASP A CA  1 
ATOM   715  C C   . ASP A 1 89  ? -0.833  -11.687 -14.883 1.00 10.16 ? 89  ASP A C   1 
ATOM   716  O O   . ASP A 1 89  ? -0.889  -10.459 -15.004 1.00 10.13 ? 89  ASP A O   1 
ATOM   717  C CB  . ASP A 1 89  ? -0.638  -11.813 -12.391 1.00 11.72 ? 89  ASP A CB  1 
ATOM   718  C CG  . ASP A 1 89  ? -1.304  -12.224 -11.077 1.00 9.88  ? 89  ASP A CG  1 
ATOM   719  O OD1 . ASP A 1 89  ? -2.549  -12.206 -10.990 1.00 10.93 ? 89  ASP A OD1 1 
ATOM   720  O OD2 . ASP A 1 89  ? -0.583  -12.558 -10.116 1.00 10.86 ? 89  ASP A OD2 1 
ATOM   721  N N   . THR A 1 90  ? -0.319  -12.486 -15.822 1.00 8.99  ? 90  THR A N   1 
ATOM   722  C CA  . THR A 1 90  ? 0.208   -11.964 -17.075 1.00 7.03  ? 90  THR A CA  1 
ATOM   723  C C   . THR A 1 90  ? -0.906  -11.312 -17.880 1.00 9.49  ? 90  THR A C   1 
ATOM   724  O O   . THR A 1 90  ? -1.929  -11.948 -18.156 1.00 11.61 ? 90  THR A O   1 
ATOM   725  C CB  . THR A 1 90  ? 0.831   -13.103 -17.881 1.00 6.39  ? 90  THR A CB  1 
ATOM   726  O OG1 . THR A 1 90  ? 1.923   -13.671 -17.145 1.00 10.82 ? 90  THR A OG1 1 
ATOM   727  C CG2 . THR A 1 90  ? 1.307   -12.625 -19.254 1.00 9.35  ? 90  THR A CG2 1 
ATOM   728  N N   . ALA A 1 91  ? -0.695  -10.053 -18.268 1.00 8.67  ? 91  ALA A N   1 
ATOM   729  C CA  . ALA A 1 91  ? -1.728  -9.268  -18.944 1.00 7.92  ? 91  ALA A CA  1 
ATOM   730  C C   . ALA A 1 91  ? -1.153  -7.897  -19.260 1.00 7.49  ? 91  ALA A C   1 
ATOM   731  O O   . ALA A 1 91  ? -0.109  -7.505  -18.729 1.00 9.99  ? 91  ALA A O   1 
ATOM   732  C CB  . ALA A 1 91  ? -2.984  -9.107  -18.074 1.00 10.59 ? 91  ALA A CB  1 
ATOM   733  N N   . VAL A 1 92  ? -1.862  -7.155  -20.119 1.00 9.19  ? 92  VAL A N   1 
ATOM   734  C CA  . VAL A 1 92  ? -1.639  -5.718  -20.237 1.00 8.22  ? 92  VAL A CA  1 
ATOM   735  C C   . VAL A 1 92  ? -2.527  -5.023  -19.218 1.00 10.27 ? 92  VAL A C   1 
ATOM   736  O O   . VAL A 1 92  ? -3.733  -5.296  -19.144 1.00 9.56  ? 92  VAL A O   1 
ATOM   737  C CB  . VAL A 1 92  ? -1.925  -5.215  -21.658 1.00 6.70  ? 92  VAL A CB  1 
ATOM   738  C CG1 . VAL A 1 92  ? -1.701  -3.684  -21.735 1.00 8.38  ? 92  VAL A CG1 1 
ATOM   739  C CG2 . VAL A 1 92  ? -1.018  -5.929  -22.670 1.00 8.72  ? 92  VAL A CG2 1 
ATOM   740  N N   . TYR A 1 93  ? -1.925  -4.151  -18.410 1.00 8.22  ? 93  TYR A N   1 
ATOM   741  C CA  . TYR A 1 93  ? -2.614  -3.490  -17.310 1.00 7.67  ? 93  TYR A CA  1 
ATOM   742  C C   . TYR A 1 93  ? -2.909  -2.058  -17.720 1.00 8.71  ? 93  TYR A C   1 
ATOM   743  O O   . TYR A 1 93  ? -2.005  -1.349  -18.181 1.00 9.26  ? 93  TYR A O   1 
ATOM   744  C CB  . TYR A 1 93  ? -1.771  -3.536  -16.025 1.00 9.14  ? 93  TYR A CB  1 
ATOM   745  C CG  . TYR A 1 93  ? -1.831  -4.870  -15.323 1.00 7.95  ? 93  TYR A CG  1 
ATOM   746  C CD1 . TYR A 1 93  ? -1.167  -5.971  -15.839 1.00 7.61  ? 93  TYR A CD1 1 
ATOM   747  C CD2 . TYR A 1 93  ? -2.582  -5.039  -14.157 1.00 11.18 ? 93  TYR A CD2 1 
ATOM   748  C CE1 . TYR A 1 93  ? -1.236  -7.191  -15.221 1.00 7.97  ? 93  TYR A CE1 1 
ATOM   749  C CE2 . TYR A 1 93  ? -2.641  -6.270  -13.518 1.00 10.36 ? 93  TYR A CE2 1 
ATOM   750  C CZ  . TYR A 1 93  ? -1.973  -7.337  -14.060 1.00 8.52  ? 93  TYR A CZ  1 
ATOM   751  O OH  . TYR A 1 93  ? -2.019  -8.572  -13.452 1.00 11.59 ? 93  TYR A OH  1 
ATOM   752  N N   . TYR A 1 94  ? -4.168  -1.639  -17.546 1.00 8.53  ? 94  TYR A N   1 
ATOM   753  C CA  . TYR A 1 94  ? -4.663  -0.347  -17.996 1.00 7.96  ? 94  TYR A CA  1 
ATOM   754  C C   . TYR A 1 94  ? -5.146  0.483   -16.821 1.00 12.06 ? 94  TYR A C   1 
ATOM   755  O O   . TYR A 1 94  ? -5.866  -0.013  -15.951 1.00 10.53 ? 94  TYR A O   1 
ATOM   756  C CB  . TYR A 1 94  ? -5.842  -0.505  -18.966 1.00 9.82  ? 94  TYR A CB  1 
ATOM   757  C CG  . TYR A 1 94  ? -5.482  -1.157  -20.269 1.00 12.33 ? 94  TYR A CG  1 
ATOM   758  C CD1 . TYR A 1 94  ? -5.054  -0.392  -21.348 1.00 15.43 ? 94  TYR A CD1 1 
ATOM   759  C CD2 . TYR A 1 94  ? -5.556  -2.532  -20.420 1.00 11.59 ? 94  TYR A CD2 1 
ATOM   760  C CE1 . TYR A 1 94  ? -4.718  -0.982  -22.545 1.00 14.01 ? 94  TYR A CE1 1 
ATOM   761  C CE2 . TYR A 1 94  ? -5.226  -3.131  -21.610 1.00 13.32 ? 94  TYR A CE2 1 
ATOM   762  C CZ  . TYR A 1 94  ? -4.803  -2.355  -22.668 1.00 12.41 ? 94  TYR A CZ  1 
ATOM   763  O OH  . TYR A 1 94  ? -4.472  -2.968  -23.860 1.00 15.15 ? 94  TYR A OH  1 
ATOM   764  N N   . CYS A 1 95  ? -4.801  1.755   -16.825 1.00 11.30 ? 95  CYS A N   1 
ATOM   765  C CA  A CYS A 1 95  ? -5.410  2.623   -15.833 0.32 10.17 ? 95  CYS A CA  1 
ATOM   766  C CA  B CYS A 1 95  ? -5.309  2.734   -15.877 0.68 10.31 ? 95  CYS A CA  1 
ATOM   767  C C   . CYS A 1 95  ? -6.515  3.444   -16.483 1.00 14.53 ? 95  CYS A C   1 
ATOM   768  O O   . CYS A 1 95  ? -6.502  3.758   -17.675 1.00 13.88 ? 95  CYS A O   1 
ATOM   769  C CB  A CYS A 1 95  ? -4.403  3.522   -15.083 0.32 15.25 ? 95  CYS A CB  1 
ATOM   770  C CB  B CYS A 1 95  ? -4.188  3.728   -15.571 0.68 14.20 ? 95  CYS A CB  1 
ATOM   771  S SG  A CYS A 1 95  ? -3.327  4.676   -15.965 0.32 13.40 ? 95  CYS A SG  1 
ATOM   772  S SG  B CYS A 1 95  ? -4.607  5.211   -14.676 0.68 11.81 ? 95  CYS A SG  1 
ATOM   773  N N   . ASN A 1 96  ? -7.529  3.705   -15.671 1.00 10.92 ? 96  ASN A N   1 
ATOM   774  C CA  . ASN A 1 96  ? -8.791  4.273   -16.109 1.00 11.31 ? 96  ASN A CA  1 
ATOM   775  C C   . ASN A 1 96  ? -9.212  5.319   -15.086 1.00 12.86 ? 96  ASN A C   1 
ATOM   776  O O   . ASN A 1 96  ? -8.942  5.173   -13.892 1.00 13.93 ? 96  ASN A O   1 
ATOM   777  C CB  . ASN A 1 96  ? -9.810  3.120   -16.273 1.00 17.09 ? 96  ASN A CB  1 
ATOM   778  C CG  . ASN A 1 96  ? -11.240 3.579   -16.357 1.00 21.24 ? 96  ASN A CG  1 
ATOM   779  O OD1 . ASN A 1 96  ? -11.881 3.813   -15.343 1.00 24.74 ? 96  ASN A OD1 1 
ATOM   780  N ND2 . ASN A 1 96  ? -11.760 3.675   -17.570 1.00 32.05 ? 96  ASN A ND2 1 
ATOM   781  N N   . LEU A 1 97  ? -9.818  6.402   -15.559 1.00 11.76 ? 97  LEU A N   1 
ATOM   782  C CA  . LEU A 1 97  ? -10.278 7.470   -14.685 1.00 13.96 ? 97  LEU A CA  1 
ATOM   783  C C   . LEU A 1 97  ? -11.668 7.884   -15.127 1.00 22.86 ? 97  LEU A C   1 
ATOM   784  O O   . LEU A 1 97  ? -11.877 8.188   -16.305 1.00 15.86 ? 97  LEU A O   1 
ATOM   785  C CB  . LEU A 1 97  ? -9.327  8.663   -14.732 1.00 16.31 ? 97  LEU A CB  1 
ATOM   786  C CG  . LEU A 1 97  ? -9.708  9.853   -13.851 1.00 17.32 ? 97  LEU A CG  1 
ATOM   787  C CD1 . LEU A 1 97  ? -9.507  9.516   -12.384 1.00 18.50 ? 97  LEU A CD1 1 
ATOM   788  C CD2 . LEU A 1 97  ? -8.910  11.078  -14.243 1.00 26.89 ? 97  LEU A CD2 1 
ATOM   789  N N   . ARG A 1 98  ? -12.619 7.875   -14.199 1.00 14.95 ? 98  ARG A N   1 
ATOM   790  C CA  . ARG A 1 98  ? -13.953 8.386   -14.481 1.00 16.79 ? 98  ARG A CA  1 
ATOM   791  C C   . ARG A 1 98  ? -14.103 9.762   -13.862 1.00 19.20 ? 98  ARG A C   1 
ATOM   792  O O   . ARG A 1 98  ? -13.894 9.942   -12.655 1.00 17.91 ? 98  ARG A O   1 
ATOM   793  C CB  . ARG A 1 98  ? -15.057 7.471   -13.965 1.00 18.15 ? 98  ARG A CB  1 
ATOM   794  C CG  . ARG A 1 98  ? -16.432 8.118   -14.130 1.00 24.52 ? 98  ARG A CG  1 
ATOM   795  C CD  . ARG A 1 98  ? -17.528 7.222   -13.654 1.00 23.16 ? 98  ARG A CD  1 
ATOM   796  N NE  . ARG A 1 98  ? -17.394 6.902   -12.236 1.00 25.08 ? 98  ARG A NE  1 
ATOM   797  C CZ  . ARG A 1 98  ? -17.881 7.650   -11.258 1.00 26.11 ? 98  ARG A CZ  1 
ATOM   798  N NH1 . ARG A 1 98  ? -18.530 8.768   -11.547 1.00 27.51 ? 98  ARG A NH1 1 
ATOM   799  N NH2 . ARG A 1 98  ? -17.715 7.276   -9.994  1.00 24.88 ? 98  ARG A NH2 1 
ATOM   800  N N   . ARG A 1 99  ? -14.463 10.724  -14.697 1.00 18.93 ? 99  ARG A N   1 
ATOM   801  C CA  . ARG A 1 99  ? -14.598 12.121  -14.314 1.00 25.37 ? 99  ARG A CA  1 
ATOM   802  C C   . ARG A 1 99  ? -15.995 12.543  -14.752 1.00 29.15 ? 99  ARG A C   1 
ATOM   803  O O   . ARG A 1 99  ? -16.205 12.867  -15.925 1.00 33.07 ? 99  ARG A O   1 
ATOM   804  C CB  . ARG A 1 99  ? -13.513 12.951  -14.979 1.00 25.26 ? 99  ARG A CB  1 
ATOM   805  C CG  . ARG A 1 99  ? -13.385 14.356  -14.485 1.00 34.95 ? 99  ARG A CG  1 
ATOM   806  C CD  . ARG A 1 99  ? -12.086 14.947  -14.980 1.00 32.42 ? 99  ARG A CD  1 
ATOM   807  N NE  . ARG A 1 99  ? -12.055 16.385  -14.776 1.00 37.94 ? 99  ARG A NE  1 
ATOM   808  C CZ  . ARG A 1 99  ? -12.240 17.272  -15.741 1.00 42.53 ? 99  ARG A CZ  1 
ATOM   809  N NH1 . ARG A 1 99  ? -12.207 18.568  -15.461 1.00 50.15 ? 99  ARG A NH1 1 
ATOM   810  N NH2 . ARG A 1 99  ? -12.447 16.860  -16.986 1.00 39.57 ? 99  ARG A NH2 1 
ATOM   811  N N   . GLY A 1 100 ? -16.943 12.502  -13.826 1.00 30.21 ? 100 GLY A N   1 
ATOM   812  C CA  . GLY A 1 100 ? -18.312 12.843  -14.170 1.00 34.35 ? 100 GLY A CA  1 
ATOM   813  C C   . GLY A 1 100 ? -18.856 11.845  -15.169 1.00 39.66 ? 100 GLY A C   1 
ATOM   814  O O   . GLY A 1 100 ? -18.910 10.638  -14.912 1.00 34.53 ? 100 GLY A O   1 
ATOM   815  N N   . GLY A 1 101 ? -19.269 12.342  -16.333 1.00 41.98 ? 101 GLY A N   1 
ATOM   816  C CA  . GLY A 1 101 ? -19.645 11.446  -17.407 1.00 46.76 ? 101 GLY A CA  1 
ATOM   817  C C   . GLY A 1 101 ? -18.496 10.985  -18.275 1.00 45.54 ? 101 GLY A C   1 
ATOM   818  O O   . GLY A 1 101 ? -18.664 10.053  -19.067 1.00 47.91 ? 101 GLY A O   1 
ATOM   819  N N   . GLY A 1 102 ? -17.331 11.615  -18.141 1.00 32.05 ? 102 GLY A N   1 
ATOM   820  C CA  . GLY A 1 102 ? -16.200 11.277  -18.988 1.00 31.93 ? 102 GLY A CA  1 
ATOM   821  C C   . GLY A 1 102 ? -15.426 10.080  -18.455 1.00 30.28 ? 102 GLY A C   1 
ATOM   822  O O   . GLY A 1 102 ? -15.250 9.908   -17.249 1.00 26.54 ? 102 GLY A O   1 
ATOM   823  N N   . ILE A 1 103 ? -14.969 9.244   -19.383 1.00 23.06 ? 103 ILE A N   1 
ATOM   824  C CA  . ILE A 1 103 ? -14.135 8.085   -19.091 1.00 20.12 ? 103 ILE A CA  1 
ATOM   825  C C   . ILE A 1 103 ? -12.820 8.262   -19.836 1.00 24.74 ? 103 ILE A C   1 
ATOM   826  O O   . ILE A 1 103 ? -12.822 8.531   -21.042 1.00 25.38 ? 103 ILE A O   1 
ATOM   827  C CB  . ILE A 1 103 ? -14.817 6.773   -19.515 1.00 26.38 ? 103 ILE A CB  1 
ATOM   828  C CG1 . ILE A 1 103 ? -16.212 6.671   -18.897 1.00 37.38 ? 103 ILE A CG1 1 
ATOM   829  C CG2 . ILE A 1 103 ? -13.959 5.579   -19.120 1.00 26.45 ? 103 ILE A CG2 1 
ATOM   830  C CD1 . ILE A 1 103 ? -16.199 6.569   -17.387 1.00 39.72 ? 103 ILE A CD1 1 
ATOM   831  N N   . TYR A 1 104 ? -11.704 8.112   -19.125 1.00 16.79 ? 104 TYR A N   1 
ATOM   832  C CA  . TYR A 1 104 ? -10.379 8.276   -19.708 1.00 14.92 ? 104 TYR A CA  1 
ATOM   833  C C   . TYR A 1 104 ? -9.554  7.022   -19.476 1.00 18.36 ? 104 TYR A C   1 
ATOM   834  O O   . TYR A 1 104 ? -9.680  6.357   -18.444 1.00 16.67 ? 104 TYR A O   1 
ATOM   835  C CB  . TYR A 1 104 ? -9.658  9.491   -19.130 1.00 14.83 ? 104 TYR A CB  1 
ATOM   836  C CG  . TYR A 1 104 ? -10.471 10.742  -19.293 1.00 16.74 ? 104 TYR A CG  1 
ATOM   837  C CD1 . TYR A 1 104 ? -10.384 11.506  -20.447 1.00 22.21 ? 104 TYR A CD1 1 
ATOM   838  C CD2 . TYR A 1 104 ? -11.353 11.141  -18.300 1.00 20.45 ? 104 TYR A CD2 1 
ATOM   839  C CE1 . TYR A 1 104 ? -11.146 12.651  -20.596 1.00 22.67 ? 104 TYR A CE1 1 
ATOM   840  C CE2 . TYR A 1 104 ? -12.111 12.270  -18.436 1.00 26.42 ? 104 TYR A CE2 1 
ATOM   841  C CZ  . TYR A 1 104 ? -12.010 13.022  -19.583 1.00 28.24 ? 104 TYR A CZ  1 
ATOM   842  O OH  . TYR A 1 104 ? -12.789 14.146  -19.688 1.00 30.64 ? 104 TYR A OH  1 
ATOM   843  N N   . TRP A 1 105 ? -8.710  6.704   -20.457 1.00 13.16 ? 105 TRP A N   1 
ATOM   844  C CA  . TRP A 1 105 ? -7.940  5.468   -20.463 1.00 12.57 ? 105 TRP A CA  1 
ATOM   845  C C   . TRP A 1 105 ? -6.479  5.752   -20.777 1.00 16.28 ? 105 TRP A C   1 
ATOM   846  O O   . TRP A 1 105 ? -6.167  6.580   -21.639 1.00 17.35 ? 105 TRP A O   1 
ATOM   847  C CB  . TRP A 1 105 ? -8.470  4.472   -21.514 1.00 17.57 ? 105 TRP A CB  1 
ATOM   848  C CG  . TRP A 1 105 ? -9.765  3.798   -21.198 1.00 18.06 ? 105 TRP A CG  1 
ATOM   849  C CD1 . TRP A 1 105 ? -11.019 4.192   -21.574 1.00 21.77 ? 105 TRP A CD1 1 
ATOM   850  C CD2 . TRP A 1 105 ? -9.931  2.586   -20.456 1.00 16.02 ? 105 TRP A CD2 1 
ATOM   851  N NE1 . TRP A 1 105 ? -11.956 3.297   -21.105 1.00 24.43 ? 105 TRP A NE1 1 
ATOM   852  C CE2 . TRP A 1 105 ? -11.312 2.305   -20.411 1.00 20.68 ? 105 TRP A CE2 1 
ATOM   853  C CE3 . TRP A 1 105 ? -9.046  1.717   -19.810 1.00 14.58 ? 105 TRP A CE3 1 
ATOM   854  C CZ2 . TRP A 1 105 ? -11.825 1.188   -19.751 1.00 17.89 ? 105 TRP A CZ2 1 
ATOM   855  C CZ3 . TRP A 1 105 ? -9.552  0.609   -19.173 1.00 18.84 ? 105 TRP A CZ3 1 
ATOM   856  C CH2 . TRP A 1 105 ? -10.927 0.353   -19.142 1.00 20.52 ? 105 TRP A CH2 1 
ATOM   857  N N   . GLY A 1 106 ? -5.587  5.057   -20.090 1.00 14.70 ? 106 GLY A N   1 
ATOM   858  C CA  . GLY A 1 106 ? -4.229  4.926   -20.574 1.00 16.03 ? 106 GLY A CA  1 
ATOM   859  C C   . GLY A 1 106 ? -4.115  3.826   -21.619 1.00 14.99 ? 106 GLY A C   1 
ATOM   860  O O   . GLY A 1 106 ? -5.060  3.074   -21.876 1.00 14.79 ? 106 GLY A O   1 
ATOM   861  N N   . GLN A 1 107 ? -2.935  3.741   -22.238 1.00 12.61 ? 107 GLN A N   1 
ATOM   862  C CA  . GLN A 1 107 ? -2.716  2.760   -23.291 1.00 11.16 ? 107 GLN A CA  1 
ATOM   863  C C   . GLN A 1 107 ? -2.203  1.429   -22.776 1.00 17.24 ? 107 GLN A C   1 
ATOM   864  O O   . GLN A 1 107 ? -2.041  0.496   -23.569 1.00 18.88 ? 107 GLN A O   1 
ATOM   865  C CB  . GLN A 1 107 ? -1.734  3.300   -24.334 1.00 20.74 ? 107 GLN A CB  1 
ATOM   866  C CG  . GLN A 1 107 ? -2.360  4.165   -25.398 1.00 29.11 ? 107 GLN A CG  1 
ATOM   867  C CD  . GLN A 1 107 ? -1.389  4.463   -26.531 1.00 28.74 ? 107 GLN A CD  1 
ATOM   868  O OE1 . GLN A 1 107 ? -0.887  3.551   -27.204 1.00 26.56 ? 107 GLN A OE1 1 
ATOM   869  N NE2 . GLN A 1 107 ? -1.110  5.743   -26.740 1.00 26.18 ? 107 GLN A NE2 1 
ATOM   870  N N   . GLY A 1 108 ? -1.930  1.323   -21.485 1.00 11.68 ? 108 GLY A N   1 
ATOM   871  C CA  . GLY A 1 108 ? -1.599  0.052   -20.882 1.00 12.41 ? 108 GLY A CA  1 
ATOM   872  C C   . GLY A 1 108 ? -0.098  -0.190  -20.795 1.00 12.49 ? 108 GLY A C   1 
ATOM   873  O O   . GLY A 1 108 ? 0.713   0.473   -21.445 1.00 13.65 ? 108 GLY A O   1 
ATOM   874  N N   A THR A 1 109 ? 0.266   -1.181  -19.983 0.69 12.06 ? 109 THR A N   1 
ATOM   875  N N   B THR A 1 109 ? 0.259   -1.134  -19.931 0.31 12.32 ? 109 THR A N   1 
ATOM   876  C CA  A THR A 1 109 ? 1.645   -1.656  -19.886 0.69 11.95 ? 109 THR A CA  1 
ATOM   877  C CA  B THR A 1 109 ? 1.615   -1.641  -19.800 0.31 11.75 ? 109 THR A CA  1 
ATOM   878  C C   A THR A 1 109 ? 1.633   -3.171  -19.705 0.69 10.09 ? 109 THR A C   1 
ATOM   879  C C   B THR A 1 109 ? 1.537   -3.150  -19.648 0.31 10.07 ? 109 THR A C   1 
ATOM   880  O O   A THR A 1 109 ? 0.845   -3.704  -18.918 0.69 10.90 ? 109 THR A O   1 
ATOM   881  O O   B THR A 1 109 ? 0.711   -3.664  -18.889 0.31 10.63 ? 109 THR A O   1 
ATOM   882  C CB  A THR A 1 109 ? 2.410   -0.943  -18.745 0.69 11.17 ? 109 THR A CB  1 
ATOM   883  C CB  B THR A 1 109 ? 2.351   -1.026  -18.603 0.31 11.80 ? 109 THR A CB  1 
ATOM   884  O OG1 A THR A 1 109 ? 3.789   -1.349  -18.730 0.69 11.16 ? 109 THR A OG1 1 
ATOM   885  O OG1 B THR A 1 109 ? 1.528   -1.108  -17.430 0.31 16.16 ? 109 THR A OG1 1 
ATOM   886  C CG2 A THR A 1 109 ? 1.782   -1.218  -17.367 0.69 16.34 ? 109 THR A CG2 1 
ATOM   887  C CG2 B THR A 1 109 ? 2.701   0.421   -18.880 0.31 13.46 ? 109 THR A CG2 1 
ATOM   888  N N   A GLN A 1 110 ? 2.474   -3.867  -20.471 0.69 10.37 ? 110 GLN A N   1 
ATOM   889  N N   B GLN A 1 110 ? 2.385   -3.856  -20.383 0.31 10.24 ? 110 GLN A N   1 
ATOM   890  C CA  A GLN A 1 110 ? 2.523   -5.325  -20.422 0.69 8.59  ? 110 GLN A CA  1 
ATOM   891  C CA  B GLN A 1 110 ? 2.357   -5.309  -20.384 0.31 8.61  ? 110 GLN A CA  1 
ATOM   892  C C   A GLN A 1 110 ? 3.213   -5.802  -19.153 0.69 11.18 ? 110 GLN A C   1 
ATOM   893  C C   B GLN A 1 110 ? 3.188   -5.848  -19.225 0.31 11.36 ? 110 GLN A C   1 
ATOM   894  O O   A GLN A 1 110 ? 4.311   -5.342  -18.826 0.69 11.63 ? 110 GLN A O   1 
ATOM   895  O O   B GLN A 1 110 ? 4.340   -5.447  -19.033 0.31 11.25 ? 110 GLN A O   1 
ATOM   896  C CB  A GLN A 1 110 ? 3.271   -5.881  -21.634 0.69 12.55 ? 110 GLN A CB  1 
ATOM   897  C CB  B GLN A 1 110 ? 2.866   -5.849  -21.720 0.31 12.49 ? 110 GLN A CB  1 
ATOM   898  C CG  A GLN A 1 110 ? 3.515   -7.397  -21.556 0.69 9.11  ? 110 GLN A CG  1 
ATOM   899  C CG  B GLN A 1 110 ? 2.428   -7.274  -22.019 0.31 11.37 ? 110 GLN A CG  1 
ATOM   900  C CD  A GLN A 1 110 ? 2.287   -8.212  -21.941 0.69 13.44 ? 110 GLN A CD  1 
ATOM   901  C CD  B GLN A 1 110 ? 3.234   -8.304  -21.255 0.31 11.38 ? 110 GLN A CD  1 
ATOM   902  O OE1 A GLN A 1 110 ? 1.732   -8.037  -23.023 0.69 12.52 ? 110 GLN A OE1 1 
ATOM   903  O OE1 B GLN A 1 110 ? 4.410   -8.095  -20.962 0.31 10.35 ? 110 GLN A OE1 1 
ATOM   904  N NE2 A GLN A 1 110 ? 1.869   -9.119  -21.061 0.69 8.33  ? 110 GLN A NE2 1 
ATOM   905  N NE2 B GLN A 1 110 ? 2.602   -9.429  -20.930 0.31 13.02 ? 110 GLN A NE2 1 
ATOM   906  N N   . VAL A 1 111 ? 2.581   -6.743  -18.449 1.00 9.96  ? 111 VAL A N   1 
ATOM   907  C CA  . VAL A 1 111 ? 3.215   -7.433  -17.335 1.00 11.26 ? 111 VAL A CA  1 
ATOM   908  C C   . VAL A 1 111 ? 3.247   -8.913  -17.683 1.00 9.80  ? 111 VAL A C   1 
ATOM   909  O O   . VAL A 1 111 ? 2.218   -9.484  -18.054 1.00 11.25 ? 111 VAL A O   1 
ATOM   910  C CB  . VAL A 1 111 ? 2.449   -7.192  -16.021 1.00 9.24  ? 111 VAL A CB  1 
ATOM   911  C CG1 . VAL A 1 111 ? 2.972   -8.099  -14.887 1.00 12.14 ? 111 VAL A CG1 1 
ATOM   912  C CG2 . VAL A 1 111 ? 2.536   -5.730  -15.625 1.00 10.69 ? 111 VAL A CG2 1 
ATOM   913  N N   . THR A 1 112 ? 4.417   -9.529  -17.561 1.00 10.04 ? 112 THR A N   1 
ATOM   914  C CA  . THR A 1 112 ? 4.583   -10.955 -17.813 1.00 9.29  ? 112 THR A CA  1 
ATOM   915  C C   . THR A 1 112 ? 5.131   -11.620 -16.562 1.00 7.86  ? 112 THR A C   1 
ATOM   916  O O   . THR A 1 112 ? 6.205   -11.245 -16.080 1.00 12.24 ? 112 THR A O   1 
ATOM   917  C CB  . THR A 1 112 ? 5.536   -11.205 -18.981 1.00 7.70  ? 112 THR A CB  1 
ATOM   918  O OG1 . THR A 1 112 ? 5.043   -10.544 -20.145 1.00 11.23 ? 112 THR A OG1 1 
ATOM   919  C CG2 . THR A 1 112 ? 5.659   -12.692 -19.257 1.00 10.78 ? 112 THR A CG2 1 
ATOM   920  N N   . VAL A 1 113 ? 4.403   -12.613 -16.051 1.00 10.10 ? 113 VAL A N   1 
ATOM   921  C CA  . VAL A 1 113 ? 4.864   -13.437 -14.942 1.00 9.14  ? 113 VAL A CA  1 
ATOM   922  C C   . VAL A 1 113 ? 5.176   -14.807 -15.529 1.00 9.67  ? 113 VAL A C   1 
ATOM   923  O O   . VAL A 1 113 ? 4.271   -15.521 -15.976 1.00 10.99 ? 113 VAL A O   1 
ATOM   924  C CB  . VAL A 1 113 ? 3.822   -13.524 -13.816 1.00 8.02  ? 113 VAL A CB  1 
ATOM   925  C CG1 . VAL A 1 113 ? 4.390   -14.330 -12.639 1.00 9.08  ? 113 VAL A CG1 1 
ATOM   926  C CG2 . VAL A 1 113 ? 3.403   -12.119 -13.340 1.00 7.61  ? 113 VAL A CG2 1 
ATOM   927  N N   A SER A 1 114 ? 6.459   -15.165 -15.538 0.43 9.86  ? 114 SER A N   1 
ATOM   928  N N   B SER A 1 114 ? 6.455   -15.165 -15.568 0.57 10.53 ? 114 SER A N   1 
ATOM   929  C CA  A SER A 1 114 ? 6.882   -16.450 -16.076 0.43 11.44 ? 114 SER A CA  1 
ATOM   930  C CA  B SER A 1 114 ? 6.822   -16.435 -16.177 0.57 11.39 ? 114 SER A CA  1 
ATOM   931  C C   A SER A 1 114 ? 6.218   -17.602 -15.328 0.43 11.79 ? 114 SER A C   1 
ATOM   932  C C   B SER A 1 114 ? 6.314   -17.606 -15.339 0.57 11.86 ? 114 SER A C   1 
ATOM   933  O O   A SER A 1 114 ? 5.810   -17.480 -14.170 0.43 12.13 ? 114 SER A O   1 
ATOM   934  O O   B SER A 1 114 ? 6.093   -17.491 -14.131 0.57 12.60 ? 114 SER A O   1 
ATOM   935  C CB  A SER A 1 114 ? 8.402   -16.604 -15.986 0.43 13.37 ? 114 SER A CB  1 
ATOM   936  C CB  B SER A 1 114 ? 8.339   -16.531 -16.368 0.57 14.08 ? 114 SER A CB  1 
ATOM   937  O OG  A SER A 1 114 ? 9.073   -15.675 -16.814 0.43 12.24 ? 114 SER A OG  1 
ATOM   938  O OG  B SER A 1 114 ? 9.043   -16.222 -15.180 0.57 14.95 ? 114 SER A OG  1 
ATOM   939  N N   . SER A 1 115 ? 6.123   -18.740 -16.007 1.00 12.86 ? 115 SER A N   1 
ATOM   940  C CA  . SER A 1 115 ? 5.566   -19.925 -15.373 1.00 12.27 ? 115 SER A CA  1 
ATOM   941  C C   . SER A 1 115 ? 6.432   -20.364 -14.196 1.00 12.66 ? 115 SER A C   1 
ATOM   942  O O   . SER A 1 115 ? 7.619   -20.038 -14.104 1.00 15.62 ? 115 SER A O   1 
ATOM   943  C CB  . SER A 1 115 ? 5.466   -21.061 -16.386 1.00 16.11 ? 115 SER A CB  1 
ATOM   944  O OG  . SER A 1 115 ? 6.757   -21.340 -16.902 1.00 17.83 ? 115 SER A OG  1 
ATOM   945  N N   . HIS A 1 116 ? 5.818   -21.115 -13.284 1.00 12.29 ? 116 HIS A N   1 
ATOM   946  C CA  . HIS A 1 116 ? 6.568   -21.677 -12.173 1.00 17.36 ? 116 HIS A CA  1 
ATOM   947  C C   . HIS A 1 116 ? 7.669   -22.581 -12.700 1.00 13.77 ? 116 HIS A C   1 
ATOM   948  O O   . HIS A 1 116 ? 7.441   -23.389 -13.606 1.00 14.03 ? 116 HIS A O   1 
ATOM   949  C CB  . HIS A 1 116 ? 5.642   -22.460 -11.248 1.00 16.65 ? 116 HIS A CB  1 
ATOM   950  C CG  . HIS A 1 116 ? 4.794   -21.594 -10.376 1.00 19.22 ? 116 HIS A CG  1 
ATOM   951  N ND1 . HIS A 1 116 ? 5.292   -20.943 -9.269  1.00 19.96 ? 116 HIS A ND1 1 
ATOM   952  C CD2 . HIS A 1 116 ? 3.479   -21.278 -10.443 1.00 18.83 ? 116 HIS A CD2 1 
ATOM   953  C CE1 . HIS A 1 116 ? 4.321   -20.255 -8.695  1.00 25.76 ? 116 HIS A CE1 1 
ATOM   954  N NE2 . HIS A 1 116 ? 3.211   -20.443 -9.387  1.00 20.58 ? 116 HIS A NE2 1 
ATOM   955  N N   . HIS A 1 117 ? 8.872   -22.415 -12.152 1.00 15.31 ? 117 HIS A N   1 
ATOM   956  C CA  . HIS A 1 117 ? 10.035  -23.203 -12.547 1.00 17.79 ? 117 HIS A CA  1 
ATOM   957  C C   . HIS A 1 117 ? 10.211  -23.178 -14.062 1.00 16.78 ? 117 HIS A C   1 
ATOM   958  O O   . HIS A 1 117 ? 10.449  -24.201 -14.708 1.00 18.74 ? 117 HIS A O   1 
ATOM   959  C CB  . HIS A 1 117 ? 9.919   -24.629 -12.007 1.00 16.13 ? 117 HIS A CB  1 
ATOM   960  C CG  . HIS A 1 117 ? 9.794   -24.684 -10.516 1.00 19.00 ? 117 HIS A CG  1 
ATOM   961  N ND1 . HIS A 1 117 ? 10.855  -24.434 -9.675  1.00 20.89 ? 117 HIS A ND1 1 
ATOM   962  C CD2 . HIS A 1 117 ? 8.729   -24.930 -9.716  1.00 16.58 ? 117 HIS A CD2 1 
ATOM   963  C CE1 . HIS A 1 117 ? 10.454  -24.536 -8.421  1.00 21.87 ? 117 HIS A CE1 1 
ATOM   964  N NE2 . HIS A 1 117 ? 9.169   -24.842 -8.418  1.00 20.19 ? 117 HIS A NE2 1 
ATOM   965  N N   . HIS A 1 118 ? 10.088  -21.977 -14.626 1.00 17.08 ? 118 HIS A N   1 
ATOM   966  C CA  . HIS A 1 118 ? 10.187  -21.755 -16.062 1.00 19.17 ? 118 HIS A CA  1 
ATOM   967  C C   . HIS A 1 118 ? 11.510  -22.277 -16.617 1.00 25.28 ? 118 HIS A C   1 
ATOM   968  O O   . HIS A 1 118 ? 11.585  -22.727 -17.762 1.00 31.03 ? 118 HIS A O   1 
ATOM   969  C CB  . HIS A 1 118 ? 10.040  -20.262 -16.366 1.00 18.07 ? 118 HIS A CB  1 
ATOM   970  C CG  . HIS A 1 118 ? 10.101  -19.929 -17.824 1.00 25.29 ? 118 HIS A CG  1 
ATOM   971  N ND1 . HIS A 1 118 ? 9.021   -20.074 -18.667 1.00 34.10 ? 118 HIS A ND1 1 
ATOM   972  C CD2 . HIS A 1 118 ? 11.115  -19.461 -18.588 1.00 30.30 ? 118 HIS A CD2 1 
ATOM   973  C CE1 . HIS A 1 118 ? 9.366   -19.708 -19.888 1.00 33.75 ? 118 HIS A CE1 1 
ATOM   974  N NE2 . HIS A 1 118 ? 10.632  -19.332 -19.868 1.00 30.98 ? 118 HIS A NE2 1 
ATOM   975  N N   . HIS A 1 119 ? 12.548  -22.210 -15.792 1.00 22.67 ? 119 HIS A N   1 
ATOM   976  C CA  . HIS A 1 119 ? 13.860  -22.734 -16.150 1.00 38.42 ? 119 HIS A CA  1 
HETATM 977  C C1  . EDO B 2 .   ? 6.276   2.031   -11.038 1.00 20.83 ? 201 EDO A C1  1 
HETATM 978  O O1  . EDO B 2 .   ? 6.991   2.274   -9.821  1.00 27.23 ? 201 EDO A O1  1 
HETATM 979  C C2  . EDO B 2 .   ? 6.683   3.081   -12.055 1.00 26.32 ? 201 EDO A C2  1 
HETATM 980  O O2  . EDO B 2 .   ? 6.568   4.376   -11.448 1.00 35.81 ? 201 EDO A O2  1 
HETATM 981  S S   . SO4 C 3 .   ? -10.854 17.537  -11.432 1.00 24.85 ? 202 SO4 A S   1 
HETATM 982  O O1  . SO4 C 3 .   ? -9.516  17.509  -10.874 1.00 20.65 ? 202 SO4 A O1  1 
HETATM 983  O O2  . SO4 C 3 .   ? -11.169 16.346  -12.198 1.00 24.21 ? 202 SO4 A O2  1 
HETATM 984  O O3  . SO4 C 3 .   ? -11.828 17.694  -10.364 1.00 32.70 ? 202 SO4 A O3  1 
HETATM 985  O O4  . SO4 C 3 .   ? -10.926 18.695  -12.319 1.00 31.98 ? 202 SO4 A O4  1 
HETATM 986  S S   . SO4 D 3 .   ? -16.510 9.077   -6.551  1.00 32.65 ? 203 SO4 A S   1 
HETATM 987  O O1  . SO4 D 3 .   ? -15.116 8.825   -6.947  1.00 26.61 ? 203 SO4 A O1  1 
HETATM 988  O O2  . SO4 D 3 .   ? -17.354 7.939   -6.927  1.00 29.24 ? 203 SO4 A O2  1 
HETATM 989  O O3  . SO4 D 3 .   ? -16.600 9.232   -5.106  1.00 28.72 ? 203 SO4 A O3  1 
HETATM 990  O O4  . SO4 D 3 .   ? -16.937 10.294  -7.217  1.00 31.89 ? 203 SO4 A O4  1 
HETATM 991  S S   . SO4 E 3 .   ? -12.062 -4.760  -24.360 0.50 32.05 ? 204 SO4 A S   1 
HETATM 992  O O1  . SO4 E 3 .   ? -11.465 -5.587  -25.412 0.50 18.37 ? 204 SO4 A O1  1 
HETATM 993  O O2  . SO4 E 3 .   ? -13.086 -3.897  -24.927 0.50 31.01 ? 204 SO4 A O2  1 
HETATM 994  O O3  . SO4 E 3 .   ? -12.660 -5.587  -23.309 0.50 18.37 ? 204 SO4 A O3  1 
HETATM 995  O O4  . SO4 E 3 .   ? -11.038 -3.897  -23.794 0.50 31.01 ? 204 SO4 A O4  1 
HETATM 996  S S   . SO4 F 3 .   ? -18.166 3.472   0.300   1.00 10.72 ? 205 SO4 A S   1 
HETATM 997  O O1  . SO4 F 3 .   ? -17.564 3.549   -1.035  1.00 10.48 ? 205 SO4 A O1  1 
HETATM 998  O O2  . SO4 F 3 .   ? -18.951 2.245   0.414   1.00 10.95 ? 205 SO4 A O2  1 
HETATM 999  O O3  . SO4 F 3 .   ? -17.101 3.540   1.286   1.00 11.43 ? 205 SO4 A O3  1 
HETATM 1000 O O4  . SO4 F 3 .   ? -19.026 4.626   0.504   1.00 11.68 ? 205 SO4 A O4  1 
HETATM 1001 S S   . SO4 G 3 .   ? -13.313 21.382  -6.025  1.00 72.85 ? 206 SO4 A S   1 
HETATM 1002 O O1  . SO4 G 3 .   ? -12.821 21.717  -7.359  1.00 69.99 ? 206 SO4 A O1  1 
HETATM 1003 O O2  . SO4 G 3 .   ? -14.686 21.860  -5.885  1.00 74.55 ? 206 SO4 A O2  1 
HETATM 1004 O O3  . SO4 G 3 .   ? -13.285 19.934  -5.845  1.00 74.32 ? 206 SO4 A O3  1 
HETATM 1005 O O4  . SO4 G 3 .   ? -12.461 22.008  -5.018  1.00 59.39 ? 206 SO4 A O4  1 
HETATM 1006 C C1  . GOL H 4 .   ? -4.718  -5.045  0.328   1.00 29.55 ? 207 GOL A C1  1 
HETATM 1007 O O1  . GOL H 4 .   ? -3.341  -5.093  0.424   1.00 13.16 ? 207 GOL A O1  1 
HETATM 1008 C C2  . GOL H 4 .   ? -5.178  -6.493  0.131   1.00 29.65 ? 207 GOL A C2  1 
HETATM 1009 O O2  . GOL H 4 .   ? -6.348  -6.797  0.818   1.00 31.12 ? 207 GOL A O2  1 
HETATM 1010 C C3  . GOL H 4 .   ? -5.441  -6.541  -1.340  1.00 18.90 ? 207 GOL A C3  1 
HETATM 1011 O O3  . GOL H 4 .   ? -6.629  -7.176  -1.491  1.00 31.90 ? 207 GOL A O3  1 
HETATM 1012 C C1  . GOL I 4 .   ? 2.238   5.537   -1.540  1.00 22.20 ? 208 GOL A C1  1 
HETATM 1013 O O1  . GOL I 4 .   ? 0.872   5.598   -1.866  1.00 20.86 ? 208 GOL A O1  1 
HETATM 1014 C C2  . GOL I 4 .   ? 2.618   4.025   -1.448  1.00 17.47 ? 208 GOL A C2  1 
HETATM 1015 O O2  . GOL I 4 .   ? 2.217   3.324   -2.585  1.00 15.80 ? 208 GOL A O2  1 
HETATM 1016 C C3  . GOL I 4 .   ? 1.962   3.482   -0.118  1.00 13.51 ? 208 GOL A C3  1 
HETATM 1017 O O3  . GOL I 4 .   ? 2.455   2.138   0.137   1.00 12.34 ? 208 GOL A O3  1 
HETATM 1018 O O   . HOH J 5 .   ? -11.094 23.395  -6.188  1.00 29.92 ? 301 HOH A O   1 
HETATM 1019 O O   . HOH J 5 .   ? 0.211   12.404  -11.699 1.00 31.83 ? 302 HOH A O   1 
HETATM 1020 O O   . HOH J 5 .   ? -6.670  -12.775 -17.060 1.00 29.90 ? 303 HOH A O   1 
HETATM 1021 O O   . HOH J 5 .   ? -13.546 17.508  -5.620  1.00 34.10 ? 304 HOH A O   1 
HETATM 1022 O O   . HOH J 5 .   ? 1.279   6.273   -26.873 1.00 21.52 ? 305 HOH A O   1 
HETATM 1023 O O   . HOH J 5 .   ? -9.524  16.312  -4.599  1.00 27.06 ? 306 HOH A O   1 
HETATM 1024 O O   . HOH J 5 .   ? -5.561  19.450  -19.310 1.00 34.83 ? 307 HOH A O   1 
HETATM 1025 O O   . HOH J 5 .   ? -3.230  16.338  -19.929 1.00 36.65 ? 308 HOH A O   1 
HETATM 1026 O O   . HOH J 5 .   ? 1.116   -19.302 -8.680  1.00 29.51 ? 309 HOH A O   1 
HETATM 1027 O O   . HOH J 5 .   ? 1.476   11.601  0.685   1.00 32.19 ? 310 HOH A O   1 
HETATM 1028 O O   . HOH J 5 .   ? 11.333  -15.169 -15.805 1.00 30.19 ? 311 HOH A O   1 
HETATM 1029 O O   . HOH J 5 .   ? -0.000  -9.322  -24.360 0.50 20.11 ? 312 HOH A O   1 
HETATM 1030 O O   . HOH J 5 .   ? -11.922 -12.507 -14.454 1.00 27.48 ? 313 HOH A O   1 
HETATM 1031 O O   . HOH J 5 .   ? -0.438  18.379  -4.880  1.00 42.40 ? 314 HOH A O   1 
HETATM 1032 O O   . HOH J 5 .   ? -14.589 14.850  -18.013 1.00 38.20 ? 315 HOH A O   1 
HETATM 1033 O O   . HOH J 5 .   ? 0.225   0.549   -3.678  1.00 11.39 ? 316 HOH A O   1 
HETATM 1034 O O   . HOH J 5 .   ? -5.902  -1.755  0.461   1.00 13.90 ? 317 HOH A O   1 
HETATM 1035 O O   . HOH J 5 .   ? -12.733 4.325   -12.947 1.00 14.65 ? 318 HOH A O   1 
HETATM 1036 O O   . HOH J 5 .   ? -15.309 -2.374  -13.747 1.00 17.53 ? 319 HOH A O   1 
HETATM 1037 O O   . HOH J 5 .   ? 9.039   -18.099 -13.045 1.00 17.51 ? 320 HOH A O   1 
HETATM 1038 O O   . HOH J 5 .   ? -2.207  -14.111 -19.624 1.00 28.22 ? 321 HOH A O   1 
HETATM 1039 O O   . HOH J 5 .   ? -4.936  -5.554  -24.261 1.00 18.55 ? 322 HOH A O   1 
HETATM 1040 O O   . HOH J 5 .   ? 8.227   -1.292  -11.297 1.00 17.91 ? 323 HOH A O   1 
HETATM 1041 O O   . HOH J 5 .   ? 3.426   7.322   -12.550 1.00 30.95 ? 324 HOH A O   1 
HETATM 1042 O O   . HOH J 5 .   ? -4.946  13.353  -6.615  1.00 19.22 ? 325 HOH A O   1 
HETATM 1043 O O   . HOH J 5 .   ? 9.061   -5.548  -4.455  1.00 9.32  ? 326 HOH A O   1 
HETATM 1044 O O   . HOH J 5 .   ? 13.773  -22.034 -19.151 1.00 43.02 ? 327 HOH A O   1 
HETATM 1045 O O   . HOH J 5 .   ? -4.097  -11.871 -16.250 1.00 19.83 ? 328 HOH A O   1 
HETATM 1046 O O   . HOH J 5 .   ? -5.637  -15.360 -8.473  1.00 28.84 ? 329 HOH A O   1 
HETATM 1047 O O   . HOH J 5 .   ? 3.261   6.624   -14.742 1.00 23.23 ? 330 HOH A O   1 
HETATM 1048 O O   . HOH J 5 .   ? -15.682 9.649   -10.650 1.00 31.00 ? 331 HOH A O   1 
HETATM 1049 O O   . HOH J 5 .   ? 9.695   -10.060 -4.846  1.00 13.23 ? 332 HOH A O   1 
HETATM 1050 O O   . HOH J 5 .   ? -14.119 -15.416 -7.137  1.00 22.81 ? 333 HOH A O   1 
HETATM 1051 O O   . HOH J 5 .   ? -5.352  -13.107 -4.584  1.00 21.84 ? 334 HOH A O   1 
HETATM 1052 O O   . HOH J 5 .   ? -3.698  -8.021  -23.787 1.00 18.49 ? 335 HOH A O   1 
HETATM 1053 O O   . HOH J 5 .   ? 3.305   -16.866 -18.124 1.00 23.22 ? 336 HOH A O   1 
HETATM 1054 O O   . HOH J 5 .   ? -11.418 9.292   -23.240 1.00 37.39 ? 337 HOH A O   1 
HETATM 1055 O O   . HOH J 5 .   ? -10.283 -13.853 -3.080  1.00 26.80 ? 338 HOH A O   1 
HETATM 1056 O O   . HOH J 5 .   ? -8.629  -10.403 -19.717 1.00 14.10 ? 339 HOH A O   1 
HETATM 1057 O O   . HOH J 5 .   ? -6.812  10.603  -22.578 1.00 28.40 ? 340 HOH A O   1 
HETATM 1058 O O   . HOH J 5 .   ? 7.299   3.919   -7.653  1.00 14.51 ? 341 HOH A O   1 
HETATM 1059 O O   . HOH J 5 .   ? 4.512   9.161   -0.858  1.00 28.52 ? 342 HOH A O   1 
HETATM 1060 O O   . HOH J 5 .   ? -14.499 2.677   -6.974  1.00 16.17 ? 343 HOH A O   1 
HETATM 1061 O O   . HOH J 5 .   ? -14.751 1.022   -11.126 1.00 27.23 ? 344 HOH A O   1 
HETATM 1062 O O   . HOH J 5 .   ? -0.000  -1.194  -24.360 0.50 14.34 ? 345 HOH A O   1 
HETATM 1063 O O   . HOH J 5 .   ? 7.957   -11.840 -3.787  1.00 16.05 ? 346 HOH A O   1 
HETATM 1064 O O   . HOH J 5 .   ? -5.746  16.236  -3.662  1.00 38.28 ? 347 HOH A O   1 
HETATM 1065 O O   . HOH J 5 .   ? -12.170 -9.387  -3.490  1.00 13.44 ? 348 HOH A O   1 
HETATM 1066 O O   . HOH J 5 .   ? -4.847  -15.201 -23.318 1.00 18.49 ? 349 HOH A O   1 
HETATM 1067 O O   . HOH J 5 .   ? -13.070 5.466   2.453   1.00 8.41  ? 350 HOH A O   1 
HETATM 1068 O O   . HOH J 5 .   ? -4.866  -13.738 -11.088 1.00 19.77 ? 351 HOH A O   1 
HETATM 1069 O O   . HOH J 5 .   ? 0.460   -5.978  -1.986  1.00 13.53 ? 352 HOH A O   1 
HETATM 1070 O O   . HOH J 5 .   ? -12.267 -8.934  -12.635 1.00 14.54 ? 353 HOH A O   1 
HETATM 1071 O O   . HOH J 5 .   ? 3.188   -17.667 -7.304  1.00 25.65 ? 354 HOH A O   1 
HETATM 1072 O O   . HOH J 5 .   ? -14.406 1.928   -15.198 1.00 20.35 ? 355 HOH A O   1 
HETATM 1073 O O   . HOH J 5 .   ? 5.975   -15.282 -3.112  1.00 31.45 ? 356 HOH A O   1 
HETATM 1074 O O   . HOH J 5 .   ? -9.069  18.757  -17.667 1.00 25.35 ? 357 HOH A O   1 
HETATM 1075 O O   . HOH J 5 .   ? 6.699   -5.670  -3.096  1.00 11.03 ? 358 HOH A O   1 
HETATM 1076 O O   . HOH J 5 .   ? -2.343  -2.533  -25.608 1.00 23.66 ? 359 HOH A O   1 
HETATM 1077 O O   . HOH J 5 .   ? 9.766   -6.217  -14.988 1.00 13.30 ? 360 HOH A O   1 
HETATM 1078 O O   . HOH J 5 .   ? -0.246  -20.347 -10.461 1.00 31.74 ? 361 HOH A O   1 
HETATM 1079 O O   . HOH J 5 .   ? -4.779  9.012   -21.674 1.00 20.97 ? 362 HOH A O   1 
HETATM 1080 O O   . HOH J 5 .   ? 9.279   -20.924 -9.803  1.00 24.73 ? 363 HOH A O   1 
HETATM 1081 O O   . HOH J 5 .   ? -9.079  7.895   -7.162  1.00 14.22 ? 364 HOH A O   1 
HETATM 1082 O O   . HOH J 5 .   ? -14.147 1.678   -4.405  1.00 11.09 ? 365 HOH A O   1 
HETATM 1083 O O   . HOH J 5 .   ? -10.872 -15.311 -27.491 1.00 25.61 ? 366 HOH A O   1 
HETATM 1084 O O   . HOH J 5 .   ? -3.353  0.371   -26.063 1.00 24.39 ? 367 HOH A O   1 
HETATM 1085 O O   . HOH J 5 .   ? -15.846 -4.721  -21.607 1.00 31.44 ? 368 HOH A O   1 
HETATM 1086 O O   . HOH J 5 .   ? -4.649  -2.197  -26.582 1.00 28.92 ? 369 HOH A O   1 
HETATM 1087 O O   . HOH J 5 .   ? 2.182   0.195   -1.913  1.00 17.01 ? 370 HOH A O   1 
HETATM 1088 O O   . HOH J 5 .   ? 0.338   -16.235 -5.145  1.00 22.39 ? 371 HOH A O   1 
HETATM 1089 O O   . HOH J 5 .   ? 3.519   13.199  -1.169  1.00 25.26 ? 372 HOH A O   1 
HETATM 1090 O O   . HOH J 5 .   ? -7.217  20.171  -4.786  1.00 37.84 ? 373 HOH A O   1 
HETATM 1091 O O   . HOH J 5 .   ? -0.707  -12.890 0.034   1.00 21.04 ? 374 HOH A O   1 
HETATM 1092 O O   . HOH J 5 .   ? -14.169 15.968  -10.545 1.00 34.17 ? 375 HOH A O   1 
HETATM 1093 O O   . HOH J 5 .   ? 3.248   -22.202 -13.924 1.00 16.88 ? 376 HOH A O   1 
HETATM 1094 O O   . HOH J 5 .   ? -6.805  1.724   -23.701 1.00 36.02 ? 377 HOH A O   1 
HETATM 1095 O O   . HOH J 5 .   ? 5.790   -10.734 -2.823  1.00 16.27 ? 378 HOH A O   1 
HETATM 1096 O O   . HOH J 5 .   ? 9.686   -18.547 -9.956  1.00 27.85 ? 379 HOH A O   1 
HETATM 1097 O O   . HOH J 5 .   ? 8.694   -2.886  -9.203  1.00 13.79 ? 380 HOH A O   1 
HETATM 1098 O O   . HOH J 5 .   ? -4.292  16.123  -6.015  1.00 32.30 ? 381 HOH A O   1 
HETATM 1099 O O   . HOH J 5 .   ? -8.808  -9.248  -12.262 1.00 28.44 ? 382 HOH A O   1 
HETATM 1100 O O   . HOH J 5 .   ? -8.877  8.314   -22.860 1.00 21.00 ? 383 HOH A O   1 
HETATM 1101 O O   . HOH J 5 .   ? 4.832   10.404  -9.004  1.00 27.31 ? 384 HOH A O   1 
HETATM 1102 O O   . HOH J 5 .   ? -0.011  7.855   -0.142  1.00 18.28 ? 385 HOH A O   1 
HETATM 1103 O O   . HOH J 5 .   ? -16.230 11.858  -10.865 1.00 36.60 ? 386 HOH A O   1 
HETATM 1104 O O   . HOH J 5 .   ? -5.220  6.144   -24.382 1.00 36.05 ? 387 HOH A O   1 
HETATM 1105 O O   . HOH J 5 .   ? -0.444  -10.695 -21.950 1.00 18.25 ? 388 HOH A O   1 
HETATM 1106 O O   . HOH J 5 .   ? 7.938   -3.812  -6.496  1.00 11.06 ? 389 HOH A O   1 
HETATM 1107 O O   . HOH J 5 .   ? -10.405 13.092  -1.532  1.00 27.87 ? 390 HOH A O   1 
HETATM 1108 O O   . HOH J 5 .   ? 6.230   -18.520 -18.957 1.00 23.27 ? 391 HOH A O   1 
HETATM 1109 O O   . HOH J 5 .   ? 10.098  -9.702  -8.539  1.00 11.66 ? 392 HOH A O   1 
HETATM 1110 O O   . HOH J 5 .   ? 5.839   -3.227  -20.317 1.00 19.87 ? 393 HOH A O   1 
HETATM 1111 O O   . HOH J 5 .   ? 11.207  -19.394 -12.693 1.00 34.65 ? 394 HOH A O   1 
HETATM 1112 O O   . HOH J 5 .   ? 9.201   13.523  -2.326  1.00 29.49 ? 395 HOH A O   1 
HETATM 1113 O O   . HOH J 5 .   ? -8.582  -15.111 0.462   1.00 45.01 ? 396 HOH A O   1 
HETATM 1114 O O   . HOH J 5 .   ? 8.929   -23.598 -18.912 1.00 33.37 ? 397 HOH A O   1 
HETATM 1115 O O   . HOH J 5 .   ? 8.241   -15.978 -19.711 1.00 31.63 ? 398 HOH A O   1 
HETATM 1116 O O   . HOH J 5 .   ? -11.314 -11.343 -11.708 1.00 24.65 ? 399 HOH A O   1 
HETATM 1117 O O   . HOH J 5 .   ? -4.711  -14.191 -1.616  1.00 27.51 ? 400 HOH A O   1 
HETATM 1118 O O   . HOH J 5 .   ? -12.982 -11.573 -10.167 1.00 17.09 ? 401 HOH A O   1 
HETATM 1119 O O   . HOH J 5 .   ? 0.137   11.905  -17.474 1.00 33.39 ? 402 HOH A O   1 
HETATM 1120 O O   . HOH J 5 .   ? 0.365   14.783  -11.665 1.00 46.73 ? 403 HOH A O   1 
HETATM 1121 O O   . HOH J 5 .   ? 7.805   1.895   -17.806 1.00 31.82 ? 404 HOH A O   1 
HETATM 1122 O O   . HOH J 5 .   ? -14.733 3.384   -22.816 1.00 33.31 ? 405 HOH A O   1 
HETATM 1123 O O   . HOH J 5 .   ? -10.121 21.005  -16.339 1.00 25.39 ? 406 HOH A O   1 
HETATM 1124 O O   . HOH J 5 .   ? 11.320  -17.311 -22.510 1.00 35.12 ? 407 HOH A O   1 
HETATM 1125 O O   . HOH J 5 .   ? -12.240 -11.999 -2.041  1.00 27.43 ? 408 HOH A O   1 
HETATM 1126 O O   . HOH J 5 .   ? -6.201  -15.985 -27.543 1.00 37.99 ? 409 HOH A O   1 
HETATM 1127 O O   . HOH J 5 .   ? -5.686  16.408  -1.218  1.00 40.56 ? 410 HOH A O   1 
HETATM 1128 O O   . HOH J 5 .   ? -2.514  16.790  -1.114  1.00 35.97 ? 411 HOH A O   1 
HETATM 1129 O O   . HOH J 5 .   ? -12.967 13.314  -1.157  1.00 37.04 ? 412 HOH A O   1 
HETATM 1130 O O   . HOH J 5 .   ? 13.905  -23.267 -11.361 1.00 42.67 ? 413 HOH A O   1 
HETATM 1131 O O   . HOH J 5 .   ? 3.042   -19.365 -18.094 1.00 39.35 ? 414 HOH A O   1 
HETATM 1132 O O   . HOH J 5 .   ? 5.456   -11.787 -0.227  1.00 27.94 ? 415 HOH A O   1 
HETATM 1133 O O   . HOH J 5 .   ? -15.510 -1.599  -18.853 1.00 34.63 ? 416 HOH A O   1 
HETATM 1134 O O   . HOH J 5 .   ? 12.524  -15.945 -19.207 1.00 39.36 ? 417 HOH A O   1 
HETATM 1135 O O   . HOH J 5 .   ? 10.381  -15.628 -4.224  1.00 39.76 ? 418 HOH A O   1 
HETATM 1136 O O   . HOH J 5 .   ? 9.472   -13.225 -2.196  1.00 26.68 ? 419 HOH A O   1 
HETATM 1137 O O   . HOH J 5 .   ? -2.101  15.112  0.949   1.00 21.99 ? 420 HOH A O   1 
HETATM 1138 O O   . HOH J 5 .   ? 7.613   13.770  -0.103  1.00 35.00 ? 421 HOH A O   1 
HETATM 1139 O O   . HOH J 5 .   ? -0.398  -16.284 -2.771  1.00 30.83 ? 422 HOH A O   1 
HETATM 1140 O O   . HOH J 5 .   ? 3.738   -15.619 -20.580 1.00 28.75 ? 423 HOH A O   1 
HETATM 1141 O O   . HOH J 5 .   ? -2.128  -15.326 -23.891 1.00 23.09 ? 424 HOH A O   1 
HETATM 1142 O O   . HOH J 5 .   ? -0.618  -13.559 -22.166 1.00 20.62 ? 425 HOH A O   1 
HETATM 1143 O O   . HOH J 5 .   ? -1.553  -15.264 -26.551 1.00 21.64 ? 426 HOH A O   1 
# 
