data_9GFQ
# 
_entry.id   9GFQ 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   9GFQ         pdb_00009gfq 10.2210/pdb9gfq/pdb 
WWPDB D_1292140852 ?            ?                   
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
_pdbx_audit_revision_history.part_number 
1 'Structure model' 1 0 2025-04-09 ? 
2 'Structure model' 1 1 2025-04-23 ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               'Database references' 
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 2 'Structure model' citation        
2 2 'Structure model' citation_author 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1  2 'Structure model' '_citation.country'                 
2  2 'Structure model' '_citation.journal_abbrev'          
3  2 'Structure model' '_citation.journal_id_ASTM'         
4  2 'Structure model' '_citation.journal_id_CSD'          
5  2 'Structure model' '_citation.journal_id_ISSN'         
6  2 'Structure model' '_citation.journal_volume'          
7  2 'Structure model' '_citation.pdbx_database_id_DOI'    
8  2 'Structure model' '_citation.pdbx_database_id_PubMed' 
9  2 'Structure model' '_citation.title'                   
10 2 'Structure model' '_citation.year'                    
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9GFQ 
_pdbx_database_status.recvd_initial_deposition_date   2024-08-12 
_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              nicolas.huguenin-dezot@bsse.ethz.ch 
_pdbx_contact_author.name_first         Nicolas 
_pdbx_contact_author.name_last          Huguenin-Dezot 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-8816-2159 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Traeger, L.K.'      1 0009-0009-1155-8038 
'Huguenin-Dezot, N.' 2 0000-0001-8816-2159 
# 
_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 for cooperative ssDNA binding by bacteriophage protein filament P12.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1093/nar/gkaf132 
_citation.pdbx_database_id_PubMed   40052821 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Trager, L.K.'       1 0009-0009-1155-8038 
primary 'Degen, M.'          2 0000-0003-3762-5779 
primary 'Pereira, J.'        3 0000-0002-5588-6588 
primary 'Durairaj, J.'       4 0000-0002-1698-4556 
primary 'Teixeira, R.D.'     5 ?                   
primary 'Hiller, S.'         6 0000-0002-6709-4684 
primary 'Huguenin-Dezot, N.' 7 0000-0001-8816-2159 
# 
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 'Single-stranded DNA-binding protein' 16671.012 1  ? ? ? 'Residues 1-117' 
2 water   nat water                                 18.015    58 ? ? ? ?                
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Protein P12' 
# 
_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       
;MEIVSKLTLKTIGAQPKPHSVKENTALASIYGRVRGKKVGQSTFGDFIKFEGEFEGVNIATGEVFRSGALILPKVLESLL
AGAVDGENTVDFAVEIWAKPSEKGNTGYEYGVKPLIEPAASDELAALRNQVKAALPAPAAAGEAAAEAKPAAKAKAKAEA
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MEIVSKLTLKTIGAQPKPHSVKENTALASIYGRVRGKKVGQSTFGDFIKFEGEFEGVNIATGEVFRSGALILPKVLESLL
AGAVDGENTVDFAVEIWAKPSEKGNTGYEYGVKPLIEPAASDELAALRNQVKAALPAPAAAGEAAAEAKPAAKAKAKAEA
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
_pdbx_entity_nonpoly.entity_id   2 
_pdbx_entity_nonpoly.name        water 
_pdbx_entity_nonpoly.comp_id     HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   GLU n 
1 3   ILE n 
1 4   VAL n 
1 5   SER n 
1 6   LYS n 
1 7   LEU n 
1 8   THR n 
1 9   LEU n 
1 10  LYS n 
1 11  THR n 
1 12  ILE n 
1 13  GLY n 
1 14  ALA n 
1 15  GLN n 
1 16  PRO n 
1 17  LYS n 
1 18  PRO n 
1 19  HIS n 
1 20  SER n 
1 21  VAL n 
1 22  LYS n 
1 23  GLU n 
1 24  ASN n 
1 25  THR n 
1 26  ALA n 
1 27  LEU n 
1 28  ALA n 
1 29  SER n 
1 30  ILE n 
1 31  TYR n 
1 32  GLY n 
1 33  ARG n 
1 34  VAL n 
1 35  ARG n 
1 36  GLY n 
1 37  LYS n 
1 38  LYS n 
1 39  VAL n 
1 40  GLY n 
1 41  GLN n 
1 42  SER n 
1 43  THR n 
1 44  PHE n 
1 45  GLY n 
1 46  ASP n 
1 47  PHE n 
1 48  ILE n 
1 49  LYS n 
1 50  PHE n 
1 51  GLU n 
1 52  GLY n 
1 53  GLU n 
1 54  PHE n 
1 55  GLU n 
1 56  GLY n 
1 57  VAL n 
1 58  ASN n 
1 59  ILE n 
1 60  ALA n 
1 61  THR n 
1 62  GLY n 
1 63  GLU n 
1 64  VAL n 
1 65  PHE n 
1 66  ARG n 
1 67  SER n 
1 68  GLY n 
1 69  ALA n 
1 70  LEU n 
1 71  ILE n 
1 72  LEU n 
1 73  PRO n 
1 74  LYS n 
1 75  VAL n 
1 76  LEU n 
1 77  GLU n 
1 78  SER n 
1 79  LEU n 
1 80  LEU n 
1 81  ALA n 
1 82  GLY n 
1 83  ALA n 
1 84  VAL n 
1 85  ASP n 
1 86  GLY n 
1 87  GLU n 
1 88  ASN n 
1 89  THR n 
1 90  VAL n 
1 91  ASP n 
1 92  PHE n 
1 93  ALA n 
1 94  VAL n 
1 95  GLU n 
1 96  ILE n 
1 97  TRP n 
1 98  ALA n 
1 99  LYS n 
1 100 PRO n 
1 101 SER n 
1 102 GLU n 
1 103 LYS n 
1 104 GLY n 
1 105 ASN n 
1 106 THR n 
1 107 GLY n 
1 108 TYR n 
1 109 GLU n 
1 110 TYR n 
1 111 GLY n 
1 112 VAL n 
1 113 LYS n 
1 114 PRO n 
1 115 LEU n 
1 116 ILE n 
1 117 GLU n 
1 118 PRO n 
1 119 ALA n 
1 120 ALA n 
1 121 SER n 
1 122 ASP n 
1 123 GLU n 
1 124 LEU n 
1 125 ALA n 
1 126 ALA n 
1 127 LEU n 
1 128 ARG n 
1 129 ASN n 
1 130 GLN n 
1 131 VAL n 
1 132 LYS n 
1 133 ALA n 
1 134 ALA n 
1 135 LEU n 
1 136 PRO n 
1 137 ALA n 
1 138 PRO n 
1 139 ALA n 
1 140 ALA n 
1 141 ALA n 
1 142 GLY n 
1 143 GLU n 
1 144 ALA n 
1 145 ALA n 
1 146 ALA n 
1 147 GLU n 
1 148 ALA n 
1 149 LYS n 
1 150 PRO n 
1 151 ALA n 
1 152 ALA n 
1 153 LYS n 
1 154 ALA n 
1 155 LYS n 
1 156 ALA n 
1 157 LYS n 
1 158 ALA n 
1 159 GLU n 
1 160 ALA 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                   160 
_entity_src_gen.gene_src_common_name               ? 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 XII 
_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      'Enterobacteria phage PRD1' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10658 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_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 
GLN 'L-peptide linking' y GLUTAMINE       ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE         ? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE       ? 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER           ? 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE      ? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE         ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE          ? 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE      ? 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE   ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE         ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE          ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE       ? 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN      ? 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE        ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE          ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   MET 1   1   1   MET MET A . n 
A 1 2   GLU 2   2   2   GLU GLU A . n 
A 1 3   ILE 3   3   3   ILE ILE A . n 
A 1 4   VAL 4   4   4   VAL VAL A . n 
A 1 5   SER 5   5   5   SER SER A . n 
A 1 6   LYS 6   6   6   LYS LYS A . n 
A 1 7   LEU 7   7   7   LEU LEU A . n 
A 1 8   THR 8   8   8   THR THR A . n 
A 1 9   LEU 9   9   9   LEU LEU A . n 
A 1 10  LYS 10  10  10  LYS LYS A . n 
A 1 11  THR 11  11  11  THR THR A . n 
A 1 12  ILE 12  12  12  ILE ILE A . n 
A 1 13  GLY 13  13  13  GLY GLY A . n 
A 1 14  ALA 14  14  14  ALA ALA A . n 
A 1 15  GLN 15  15  15  GLN GLN A . n 
A 1 16  PRO 16  16  16  PRO PRO A . n 
A 1 17  LYS 17  17  17  LYS LYS A . n 
A 1 18  PRO 18  18  18  PRO PRO A . n 
A 1 19  HIS 19  19  19  HIS HIS A . n 
A 1 20  SER 20  20  20  SER SER A . n 
A 1 21  VAL 21  21  21  VAL VAL A . n 
A 1 22  LYS 22  22  22  LYS LYS A . n 
A 1 23  GLU 23  23  23  GLU GLU A . n 
A 1 24  ASN 24  24  24  ASN ASN A . n 
A 1 25  THR 25  25  25  THR THR A . n 
A 1 26  ALA 26  26  26  ALA ALA A . n 
A 1 27  LEU 27  27  27  LEU LEU A . n 
A 1 28  ALA 28  28  28  ALA ALA A . n 
A 1 29  SER 29  29  29  SER SER A . n 
A 1 30  ILE 30  30  30  ILE ILE A . n 
A 1 31  TYR 31  31  31  TYR TYR A . n 
A 1 32  GLY 32  32  32  GLY GLY A . n 
A 1 33  ARG 33  33  33  ARG ARG A . n 
A 1 34  VAL 34  34  34  VAL VAL A . n 
A 1 35  ARG 35  35  35  ARG ARG A . n 
A 1 36  GLY 36  36  36  GLY GLY A . n 
A 1 37  LYS 37  37  37  LYS LYS A . n 
A 1 38  LYS 38  38  38  LYS LYS A . n 
A 1 39  VAL 39  39  39  VAL VAL A . n 
A 1 40  GLY 40  40  40  GLY GLY A . n 
A 1 41  GLN 41  41  41  GLN GLN A . n 
A 1 42  SER 42  42  42  SER SER A . n 
A 1 43  THR 43  43  43  THR THR A . n 
A 1 44  PHE 44  44  44  PHE PHE A . n 
A 1 45  GLY 45  45  45  GLY GLY A . n 
A 1 46  ASP 46  46  46  ASP ASP A . n 
A 1 47  PHE 47  47  47  PHE PHE A . n 
A 1 48  ILE 48  48  48  ILE ILE A . n 
A 1 49  LYS 49  49  49  LYS LYS A . n 
A 1 50  PHE 50  50  50  PHE PHE A . n 
A 1 51  GLU 51  51  51  GLU GLU A . n 
A 1 52  GLY 52  52  52  GLY GLY A . n 
A 1 53  GLU 53  53  53  GLU GLU A . n 
A 1 54  PHE 54  54  54  PHE PHE A . n 
A 1 55  GLU 55  55  55  GLU GLU A . n 
A 1 56  GLY 56  56  56  GLY GLY A . n 
A 1 57  VAL 57  57  57  VAL VAL A . n 
A 1 58  ASN 58  58  58  ASN ASN A . n 
A 1 59  ILE 59  59  59  ILE ILE A . n 
A 1 60  ALA 60  60  60  ALA ALA A . n 
A 1 61  THR 61  61  61  THR THR A . n 
A 1 62  GLY 62  62  62  GLY GLY A . n 
A 1 63  GLU 63  63  63  GLU GLU A . n 
A 1 64  VAL 64  64  64  VAL VAL A . n 
A 1 65  PHE 65  65  65  PHE PHE A . n 
A 1 66  ARG 66  66  66  ARG ARG A . n 
A 1 67  SER 67  67  67  SER SER A . n 
A 1 68  GLY 68  68  68  GLY GLY A . n 
A 1 69  ALA 69  69  69  ALA ALA A . n 
A 1 70  LEU 70  70  70  LEU LEU A . n 
A 1 71  ILE 71  71  71  ILE ILE A . n 
A 1 72  LEU 72  72  72  LEU LEU A . n 
A 1 73  PRO 73  73  73  PRO PRO A . n 
A 1 74  LYS 74  74  74  LYS LYS A . n 
A 1 75  VAL 75  75  75  VAL VAL A . n 
A 1 76  LEU 76  76  76  LEU LEU A . n 
A 1 77  GLU 77  77  77  GLU GLU A . n 
A 1 78  SER 78  78  78  SER SER A . n 
A 1 79  LEU 79  79  79  LEU LEU A . n 
A 1 80  LEU 80  80  80  LEU LEU A . n 
A 1 81  ALA 81  81  81  ALA ALA A . n 
A 1 82  GLY 82  82  82  GLY GLY A . n 
A 1 83  ALA 83  83  83  ALA ALA A . n 
A 1 84  VAL 84  84  84  VAL VAL A . n 
A 1 85  ASP 85  85  85  ASP ASP A . n 
A 1 86  GLY 86  86  86  GLY GLY A . n 
A 1 87  GLU 87  87  87  GLU GLU A . n 
A 1 88  ASN 88  88  88  ASN ASN A . n 
A 1 89  THR 89  89  89  THR THR A . n 
A 1 90  VAL 90  90  90  VAL VAL A . n 
A 1 91  ASP 91  91  91  ASP ASP A . n 
A 1 92  PHE 92  92  92  PHE PHE A . n 
A 1 93  ALA 93  93  93  ALA ALA A . n 
A 1 94  VAL 94  94  94  VAL VAL A . n 
A 1 95  GLU 95  95  95  GLU GLU A . n 
A 1 96  ILE 96  96  96  ILE ILE A . n 
A 1 97  TRP 97  97  97  TRP TRP A . n 
A 1 98  ALA 98  98  98  ALA ALA A . n 
A 1 99  LYS 99  99  99  LYS LYS A . n 
A 1 100 PRO 100 100 100 PRO PRO A . n 
A 1 101 SER 101 101 101 SER SER A . n 
A 1 102 GLU 102 102 102 GLU GLU A . n 
A 1 103 LYS 103 103 103 LYS LYS A . n 
A 1 104 GLY 104 104 104 GLY GLY A . n 
A 1 105 ASN 105 105 105 ASN ASN A . n 
A 1 106 THR 106 106 106 THR THR A . n 
A 1 107 GLY 107 107 107 GLY GLY A . n 
A 1 108 TYR 108 108 108 TYR TYR A . n 
A 1 109 GLU 109 109 109 GLU GLU A . n 
A 1 110 TYR 110 110 110 TYR TYR A . n 
A 1 111 GLY 111 111 111 GLY GLY A . n 
A 1 112 VAL 112 112 112 VAL VAL A . n 
A 1 113 LYS 113 113 113 LYS LYS A . n 
A 1 114 PRO 114 114 114 PRO PRO A . n 
A 1 115 LEU 115 115 115 LEU LEU A . n 
A 1 116 ILE 116 116 116 ILE ILE A . n 
A 1 117 GLU 117 117 117 GLU GLU A . n 
A 1 118 PRO 118 118 ?   ?   ?   A . n 
A 1 119 ALA 119 119 ?   ?   ?   A . n 
A 1 120 ALA 120 120 ?   ?   ?   A . n 
A 1 121 SER 121 121 ?   ?   ?   A . n 
A 1 122 ASP 122 122 ?   ?   ?   A . n 
A 1 123 GLU 123 123 ?   ?   ?   A . n 
A 1 124 LEU 124 124 ?   ?   ?   A . n 
A 1 125 ALA 125 125 ?   ?   ?   A . n 
A 1 126 ALA 126 126 ?   ?   ?   A . n 
A 1 127 LEU 127 127 ?   ?   ?   A . n 
A 1 128 ARG 128 128 ?   ?   ?   A . n 
A 1 129 ASN 129 129 ?   ?   ?   A . n 
A 1 130 GLN 130 130 ?   ?   ?   A . n 
A 1 131 VAL 131 131 ?   ?   ?   A . n 
A 1 132 LYS 132 132 ?   ?   ?   A . n 
A 1 133 ALA 133 133 ?   ?   ?   A . n 
A 1 134 ALA 134 134 ?   ?   ?   A . n 
A 1 135 LEU 135 135 ?   ?   ?   A . n 
A 1 136 PRO 136 136 ?   ?   ?   A . n 
A 1 137 ALA 137 137 ?   ?   ?   A . n 
A 1 138 PRO 138 138 ?   ?   ?   A . n 
A 1 139 ALA 139 139 ?   ?   ?   A . n 
A 1 140 ALA 140 140 ?   ?   ?   A . n 
A 1 141 ALA 141 141 ?   ?   ?   A . n 
A 1 142 GLY 142 142 ?   ?   ?   A . n 
A 1 143 GLU 143 143 ?   ?   ?   A . n 
A 1 144 ALA 144 144 ?   ?   ?   A . n 
A 1 145 ALA 145 145 ?   ?   ?   A . n 
A 1 146 ALA 146 146 ?   ?   ?   A . n 
A 1 147 GLU 147 147 ?   ?   ?   A . n 
A 1 148 ALA 148 148 ?   ?   ?   A . n 
A 1 149 LYS 149 149 ?   ?   ?   A . n 
A 1 150 PRO 150 150 ?   ?   ?   A . n 
A 1 151 ALA 151 151 ?   ?   ?   A . n 
A 1 152 ALA 152 152 ?   ?   ?   A . n 
A 1 153 LYS 153 153 ?   ?   ?   A . n 
A 1 154 ALA 154 154 ?   ?   ?   A . n 
A 1 155 LYS 155 155 ?   ?   ?   A . n 
A 1 156 ALA 156 156 ?   ?   ?   A . n 
A 1 157 LYS 157 157 ?   ?   ?   A . n 
A 1 158 ALA 158 158 ?   ?   ?   A . n 
A 1 159 GLU 159 159 ?   ?   ?   A . n 
A 1 160 ALA 160 160 ?   ?   ?   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 HOH 1  201 169 HOH HOH A . 
B 2 HOH 2  202 144 HOH HOH A . 
B 2 HOH 3  203 141 HOH HOH A . 
B 2 HOH 4  204 162 HOH HOH A . 
B 2 HOH 5  205 168 HOH HOH A . 
B 2 HOH 6  206 157 HOH HOH A . 
B 2 HOH 7  207 125 HOH HOH A . 
B 2 HOH 8  208 174 HOH HOH A . 
B 2 HOH 9  209 149 HOH HOH A . 
B 2 HOH 10 210 148 HOH HOH A . 
B 2 HOH 11 211 170 HOH HOH A . 
B 2 HOH 12 212 142 HOH HOH A . 
B 2 HOH 13 213 155 HOH HOH A . 
B 2 HOH 14 214 120 HOH HOH A . 
B 2 HOH 15 215 139 HOH HOH A . 
B 2 HOH 16 216 130 HOH HOH A . 
B 2 HOH 17 217 123 HOH HOH A . 
B 2 HOH 18 218 156 HOH HOH A . 
B 2 HOH 19 219 136 HOH HOH A . 
B 2 HOH 20 220 129 HOH HOH A . 
B 2 HOH 21 221 118 HOH HOH A . 
B 2 HOH 22 222 131 HOH HOH A . 
B 2 HOH 23 223 119 HOH HOH A . 
B 2 HOH 24 224 138 HOH HOH A . 
B 2 HOH 25 225 134 HOH HOH A . 
B 2 HOH 26 226 154 HOH HOH A . 
B 2 HOH 27 227 121 HOH HOH A . 
B 2 HOH 28 228 133 HOH HOH A . 
B 2 HOH 29 229 158 HOH HOH A . 
B 2 HOH 30 230 151 HOH HOH A . 
B 2 HOH 31 231 132 HOH HOH A . 
B 2 HOH 32 232 127 HOH HOH A . 
B 2 HOH 33 233 147 HOH HOH A . 
B 2 HOH 34 234 135 HOH HOH A . 
B 2 HOH 35 235 122 HOH HOH A . 
B 2 HOH 36 236 140 HOH HOH A . 
B 2 HOH 37 237 146 HOH HOH A . 
B 2 HOH 38 238 128 HOH HOH A . 
B 2 HOH 39 239 150 HOH HOH A . 
B 2 HOH 40 240 160 HOH HOH A . 
B 2 HOH 41 241 126 HOH HOH A . 
B 2 HOH 42 242 145 HOH HOH A . 
B 2 HOH 43 243 124 HOH HOH A . 
B 2 HOH 44 244 161 HOH HOH A . 
B 2 HOH 45 245 171 HOH HOH A . 
B 2 HOH 46 246 163 HOH HOH A . 
B 2 HOH 47 247 143 HOH HOH A . 
B 2 HOH 48 248 152 HOH HOH A . 
B 2 HOH 49 249 137 HOH HOH A . 
B 2 HOH 50 250 173 HOH HOH A . 
B 2 HOH 51 251 166 HOH HOH A . 
B 2 HOH 52 252 153 HOH HOH A . 
B 2 HOH 53 253 159 HOH HOH A . 
B 2 HOH 54 254 167 HOH HOH A . 
B 2 HOH 55 255 172 HOH HOH A . 
B 2 HOH 56 256 165 HOH HOH A . 
B 2 HOH 57 257 175 HOH HOH A . 
B 2 HOH 58 258 164 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 GLU 102 ? CG  ? A GLU 102 CG  
2 1 Y 1 A GLU 102 ? CD  ? A GLU 102 CD  
3 1 Y 1 A GLU 102 ? OE1 ? A GLU 102 OE1 
4 1 Y 1 A GLU 102 ? OE2 ? A GLU 102 OE2 
# 
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  ? ? ? 1.21 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS     ? ? ? .    2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .    3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .    4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9GFQ 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     36.434 
_cell.length_a_esd                 ? 
_cell.length_b                     50.999 
_cell.length_b_esd                 ? 
_cell.length_c                     56.344 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        4 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         9GFQ 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                19 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 21 21 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                   9GFQ 
_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             ? 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          ? 
_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              ? 
_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    
;From Morpheus[1], Molecular Dimensions: 0.12 M monosaccharides (0.2M D-glucose; 0.2M D-mannose; 0.2M D-galactose; 0.2M L-fucose; 0.2M D-xylose; 0.2M N-acetyl-D-glucosamine), 0.1 M buffer system 3 (Tris [base]; BICINE) pH 8.5, and 37.5 % v/v precipitant mix 4 (25% v/v MPD; 25% PEG 1000; 25% w/v PEG 3350)
;
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER X 16M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-07-07 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.000030 
_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                        'SLS BEAMLINE X06SA' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.000030 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   X06SA 
_diffrn_source.pdbx_synchrotron_site       SLS 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9GFQ 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.7 
_reflns.d_resolution_low                               37.8 
_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                                     12325 
_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 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                12.4 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          9.4 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.99 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.7 
_reflns_shell.d_res_low                                     1.8 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             595 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.50 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          95 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               ? 
_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                                 9GFQ 
_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                            1.7 
_refine.ls_d_res_low                             37.8 
_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                     12325 
_refine.ls_number_reflns_R_free                  ? 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99 
_refine.ls_percent_reflns_R_free                 ? 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.259 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.228 
_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                    ? 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ? 
_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             ? 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             ? 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            ? 
_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.pdbx_number_atoms_protein        884 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         0 
_refine_hist.number_atoms_solvent             58 
_refine_hist.number_atoms_total               942 
_refine_hist.d_res_high                       1.7 
_refine_hist.d_res_low                        37.8 
# 
_struct.entry_id                     9GFQ 
_struct.title                        'Structure of PRD1 SSB P12' 
_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        9GFQ 
_struct_keywords.text            'SSB, PRD1, protein-primed, DNA-binding, DNA BINDING PROTEIN' 
_struct_keywords.pdbx_keywords   'DNA BINDING PROTEIN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    VP12_BPPRD 
_struct_ref.pdbx_db_accession          P17637 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;MEIVSKLTLKTIGAQPKPHSVKENTALASIYGRVRGKKVGQSTFGDFIKFEGEFEGVNIATGEVFRSGALILPKVLESLL
AGAVDGENTVDFAVEIWAKPSEKGNTGYEYGVKPLIEPAASDELAALRNQVKAALPAPAAAGEAAAEAKPAAKAKAKAEA

;
_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              9GFQ 
_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                 160 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P17637 
_struct_ref_seq.db_align_beg                  1 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  160 
_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       160 
# 
_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)' 0    ? 
1 MORE         0    ? 
1 'SSA (A^2)'  7080 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
_struct_conf.conf_type_id            HELX_P 
_struct_conf.id                      HELX_P1 
_struct_conf.pdbx_PDB_helix_id       AA1 
_struct_conf.beg_label_comp_id       PRO 
_struct_conf.beg_label_asym_id       A 
_struct_conf.beg_label_seq_id        73 
_struct_conf.pdbx_beg_PDB_ins_code   ? 
_struct_conf.end_label_comp_id       VAL 
_struct_conf.end_label_asym_id       A 
_struct_conf.end_label_seq_id        84 
_struct_conf.pdbx_end_PDB_ins_code   ? 
_struct_conf.beg_auth_comp_id        PRO 
_struct_conf.beg_auth_asym_id        A 
_struct_conf.beg_auth_seq_id         73 
_struct_conf.end_auth_comp_id        VAL 
_struct_conf.end_auth_asym_id        A 
_struct_conf.end_auth_seq_id         84 
_struct_conf.pdbx_PDB_helix_class    1 
_struct_conf.details                 ? 
_struct_conf.pdbx_PDB_helix_length   12 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   6 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? parallel      
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? 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 GLU A 2   ? ILE A 3   ? GLU A 2   ILE A 3   
AA1 2 VAL A 64  ? LEU A 70  ? VAL A 64  LEU A 70  
AA1 3 GLY A 45  ? ASN A 58  ? GLY A 45  ASN A 58  
AA1 4 THR A 25  ? SER A 42  ? THR A 25  SER A 42  
AA1 5 VAL A 90  ? PRO A 100 ? VAL A 90  PRO A 100 
AA1 6 TYR A 108 ? PRO A 114 ? TYR A 108 PRO A 114 
# 
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 GLU A 2  ? N GLU A 2  O ARG A 66  ? O ARG A 66  
AA1 2 3 O SER A 67 ? O SER A 67 N PHE A 54  ? N PHE A 54  
AA1 3 4 O LYS A 49 ? O LYS A 49 N LYS A 38  ? N LYS A 38  
AA1 4 5 N VAL A 34 ? N VAL A 34 O VAL A 90  ? O VAL A 90  
AA1 5 6 N LYS A 99 ? N LYS A 99 O GLU A 109 ? O GLU A 109 
# 
_pdbx_entry_details.entry_id                   9GFQ 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     ? 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   O 
_pdbx_validate_close_contact.auth_asym_id_1   A 
_pdbx_validate_close_contact.auth_comp_id_1   HOH 
_pdbx_validate_close_contact.auth_seq_id_1    215 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   O 
_pdbx_validate_close_contact.auth_asym_id_2   A 
_pdbx_validate_close_contact.auth_comp_id_2   HOH 
_pdbx_validate_close_contact.auth_seq_id_2    237 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             2.14 
# 
loop_
_pdbx_validate_symm_contact.id 
_pdbx_validate_symm_contact.PDB_model_num 
_pdbx_validate_symm_contact.auth_atom_id_1 
_pdbx_validate_symm_contact.auth_asym_id_1 
_pdbx_validate_symm_contact.auth_comp_id_1 
_pdbx_validate_symm_contact.auth_seq_id_1 
_pdbx_validate_symm_contact.PDB_ins_code_1 
_pdbx_validate_symm_contact.label_alt_id_1 
_pdbx_validate_symm_contact.site_symmetry_1 
_pdbx_validate_symm_contact.auth_atom_id_2 
_pdbx_validate_symm_contact.auth_asym_id_2 
_pdbx_validate_symm_contact.auth_comp_id_2 
_pdbx_validate_symm_contact.auth_seq_id_2 
_pdbx_validate_symm_contact.PDB_ins_code_2 
_pdbx_validate_symm_contact.label_alt_id_2 
_pdbx_validate_symm_contact.site_symmetry_2 
_pdbx_validate_symm_contact.dist 
1 1 O A HOH 204 ? ? 1_555 O A HOH 208 ? ? 3_445 1.99 
2 1 O A HOH 205 ? ? 1_555 O A HOH 208 ? ? 2_454 2.15 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A PRO 118 ? A PRO 118 
2  1 Y 1 A ALA 119 ? A ALA 119 
3  1 Y 1 A ALA 120 ? A ALA 120 
4  1 Y 1 A SER 121 ? A SER 121 
5  1 Y 1 A ASP 122 ? A ASP 122 
6  1 Y 1 A GLU 123 ? A GLU 123 
7  1 Y 1 A LEU 124 ? A LEU 124 
8  1 Y 1 A ALA 125 ? A ALA 125 
9  1 Y 1 A ALA 126 ? A ALA 126 
10 1 Y 1 A LEU 127 ? A LEU 127 
11 1 Y 1 A ARG 128 ? A ARG 128 
12 1 Y 1 A ASN 129 ? A ASN 129 
13 1 Y 1 A GLN 130 ? A GLN 130 
14 1 Y 1 A VAL 131 ? A VAL 131 
15 1 Y 1 A LYS 132 ? A LYS 132 
16 1 Y 1 A ALA 133 ? A ALA 133 
17 1 Y 1 A ALA 134 ? A ALA 134 
18 1 Y 1 A LEU 135 ? A LEU 135 
19 1 Y 1 A PRO 136 ? A PRO 136 
20 1 Y 1 A ALA 137 ? A ALA 137 
21 1 Y 1 A PRO 138 ? A PRO 138 
22 1 Y 1 A ALA 139 ? A ALA 139 
23 1 Y 1 A ALA 140 ? A ALA 140 
24 1 Y 1 A ALA 141 ? A ALA 141 
25 1 Y 1 A GLY 142 ? A GLY 142 
26 1 Y 1 A GLU 143 ? A GLU 143 
27 1 Y 1 A ALA 144 ? A ALA 144 
28 1 Y 1 A ALA 145 ? A ALA 145 
29 1 Y 1 A ALA 146 ? A ALA 146 
30 1 Y 1 A GLU 147 ? A GLU 147 
31 1 Y 1 A ALA 148 ? A ALA 148 
32 1 Y 1 A LYS 149 ? A LYS 149 
33 1 Y 1 A PRO 150 ? A PRO 150 
34 1 Y 1 A ALA 151 ? A ALA 151 
35 1 Y 1 A ALA 152 ? A ALA 152 
36 1 Y 1 A LYS 153 ? A LYS 153 
37 1 Y 1 A ALA 154 ? A ALA 154 
38 1 Y 1 A LYS 155 ? A LYS 155 
39 1 Y 1 A ALA 156 ? A ALA 156 
40 1 Y 1 A LYS 157 ? A LYS 157 
41 1 Y 1 A ALA 158 ? A ALA 158 
42 1 Y 1 A GLU 159 ? A GLU 159 
43 1 Y 1 A ALA 160 ? A ALA 160 
# 
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  
GLN N    N N N 74  
GLN CA   C N S 75  
GLN C    C N N 76  
GLN O    O N N 77  
GLN CB   C N N 78  
GLN CG   C N N 79  
GLN CD   C N N 80  
GLN OE1  O N N 81  
GLN NE2  N N N 82  
GLN OXT  O N N 83  
GLN H    H N N 84  
GLN H2   H N N 85  
GLN HA   H N N 86  
GLN HB2  H N N 87  
GLN HB3  H N N 88  
GLN HG2  H N N 89  
GLN HG3  H N N 90  
GLN HE21 H N N 91  
GLN HE22 H N N 92  
GLN HXT  H N N 93  
GLU N    N N N 94  
GLU CA   C N S 95  
GLU C    C N N 96  
GLU O    O N N 97  
GLU CB   C N N 98  
GLU CG   C N N 99  
GLU CD   C N N 100 
GLU OE1  O N N 101 
GLU OE2  O N N 102 
GLU OXT  O N N 103 
GLU H    H N N 104 
GLU H2   H N N 105 
GLU HA   H N N 106 
GLU HB2  H N N 107 
GLU HB3  H N N 108 
GLU HG2  H N N 109 
GLU HG3  H N N 110 
GLU HE2  H N N 111 
GLU HXT  H N N 112 
GLY N    N N N 113 
GLY CA   C N N 114 
GLY C    C N N 115 
GLY O    O N N 116 
GLY OXT  O N N 117 
GLY H    H N N 118 
GLY H2   H N N 119 
GLY HA2  H N N 120 
GLY HA3  H N N 121 
GLY HXT  H N N 122 
HIS N    N N N 123 
HIS CA   C N S 124 
HIS C    C N N 125 
HIS O    O N N 126 
HIS CB   C N N 127 
HIS CG   C Y N 128 
HIS ND1  N Y N 129 
HIS CD2  C Y N 130 
HIS CE1  C Y N 131 
HIS NE2  N Y N 132 
HIS OXT  O N N 133 
HIS H    H N N 134 
HIS H2   H N N 135 
HIS HA   H N N 136 
HIS HB2  H N N 137 
HIS HB3  H N N 138 
HIS HD1  H N N 139 
HIS HD2  H N N 140 
HIS HE1  H N N 141 
HIS HE2  H N N 142 
HIS HXT  H N N 143 
HOH O    O N N 144 
HOH H1   H N N 145 
HOH H2   H N N 146 
ILE N    N N N 147 
ILE CA   C N S 148 
ILE C    C N N 149 
ILE O    O N N 150 
ILE CB   C N S 151 
ILE CG1  C N N 152 
ILE CG2  C N N 153 
ILE CD1  C N N 154 
ILE OXT  O N N 155 
ILE H    H N N 156 
ILE H2   H N N 157 
ILE HA   H N N 158 
ILE HB   H N N 159 
ILE HG12 H N N 160 
ILE HG13 H N N 161 
ILE HG21 H N N 162 
ILE HG22 H N N 163 
ILE HG23 H N N 164 
ILE HD11 H N N 165 
ILE HD12 H N N 166 
ILE HD13 H N N 167 
ILE HXT  H N N 168 
LEU N    N N N 169 
LEU CA   C N S 170 
LEU C    C N N 171 
LEU O    O N N 172 
LEU CB   C N N 173 
LEU CG   C N N 174 
LEU CD1  C N N 175 
LEU CD2  C N N 176 
LEU OXT  O N N 177 
LEU H    H N N 178 
LEU H2   H N N 179 
LEU HA   H N N 180 
LEU HB2  H N N 181 
LEU HB3  H N N 182 
LEU HG   H N N 183 
LEU HD11 H N N 184 
LEU HD12 H N N 185 
LEU HD13 H N N 186 
LEU HD21 H N N 187 
LEU HD22 H N N 188 
LEU HD23 H N N 189 
LEU HXT  H N N 190 
LYS N    N N N 191 
LYS CA   C N S 192 
LYS C    C N N 193 
LYS O    O N N 194 
LYS CB   C N N 195 
LYS CG   C N N 196 
LYS CD   C N N 197 
LYS CE   C N N 198 
LYS NZ   N N N 199 
LYS OXT  O N N 200 
LYS H    H N N 201 
LYS H2   H N N 202 
LYS HA   H N N 203 
LYS HB2  H N N 204 
LYS HB3  H N N 205 
LYS HG2  H N N 206 
LYS HG3  H N N 207 
LYS HD2  H N N 208 
LYS HD3  H N N 209 
LYS HE2  H N N 210 
LYS HE3  H N N 211 
LYS HZ1  H N N 212 
LYS HZ2  H N N 213 
LYS HZ3  H N N 214 
LYS HXT  H N N 215 
MET N    N N N 216 
MET CA   C N S 217 
MET C    C N N 218 
MET O    O N N 219 
MET CB   C N N 220 
MET CG   C N N 221 
MET SD   S N N 222 
MET CE   C N N 223 
MET OXT  O N N 224 
MET H    H N N 225 
MET H2   H N N 226 
MET HA   H N N 227 
MET HB2  H N N 228 
MET HB3  H N N 229 
MET HG2  H N N 230 
MET HG3  H N N 231 
MET HE1  H N N 232 
MET HE2  H N N 233 
MET HE3  H N N 234 
MET HXT  H N N 235 
PHE N    N N N 236 
PHE CA   C N S 237 
PHE C    C N N 238 
PHE O    O N N 239 
PHE CB   C N N 240 
PHE CG   C Y N 241 
PHE CD1  C Y N 242 
PHE CD2  C Y N 243 
PHE CE1  C Y N 244 
PHE CE2  C Y N 245 
PHE CZ   C Y N 246 
PHE OXT  O N N 247 
PHE H    H N N 248 
PHE H2   H N N 249 
PHE HA   H N N 250 
PHE HB2  H N N 251 
PHE HB3  H N N 252 
PHE HD1  H N N 253 
PHE HD2  H N N 254 
PHE HE1  H N N 255 
PHE HE2  H N N 256 
PHE HZ   H N N 257 
PHE HXT  H N N 258 
PRO N    N N N 259 
PRO CA   C N S 260 
PRO C    C N N 261 
PRO O    O N N 262 
PRO CB   C N N 263 
PRO CG   C N N 264 
PRO CD   C N N 265 
PRO OXT  O N N 266 
PRO H    H N N 267 
PRO HA   H N N 268 
PRO HB2  H N N 269 
PRO HB3  H N N 270 
PRO HG2  H N N 271 
PRO HG3  H N N 272 
PRO HD2  H N N 273 
PRO HD3  H N N 274 
PRO HXT  H N N 275 
SER N    N N N 276 
SER CA   C N S 277 
SER C    C N N 278 
SER O    O N N 279 
SER CB   C N N 280 
SER OG   O N N 281 
SER OXT  O N N 282 
SER H    H N N 283 
SER H2   H N N 284 
SER HA   H N N 285 
SER HB2  H N N 286 
SER HB3  H N N 287 
SER HG   H N N 288 
SER HXT  H N N 289 
THR N    N N N 290 
THR CA   C N S 291 
THR C    C N N 292 
THR O    O N N 293 
THR CB   C N R 294 
THR OG1  O N N 295 
THR CG2  C N N 296 
THR OXT  O N N 297 
THR H    H N N 298 
THR H2   H N N 299 
THR HA   H N N 300 
THR HB   H N N 301 
THR HG1  H N N 302 
THR HG21 H N N 303 
THR HG22 H N N 304 
THR HG23 H N N 305 
THR HXT  H N N 306 
TRP N    N N N 307 
TRP CA   C N S 308 
TRP C    C N N 309 
TRP O    O N N 310 
TRP CB   C N N 311 
TRP CG   C Y N 312 
TRP CD1  C Y N 313 
TRP CD2  C Y N 314 
TRP NE1  N Y N 315 
TRP CE2  C Y N 316 
TRP CE3  C Y N 317 
TRP CZ2  C Y N 318 
TRP CZ3  C Y N 319 
TRP CH2  C Y N 320 
TRP OXT  O N N 321 
TRP H    H N N 322 
TRP H2   H N N 323 
TRP HA   H N N 324 
TRP HB2  H N N 325 
TRP HB3  H N N 326 
TRP HD1  H N N 327 
TRP HE1  H N N 328 
TRP HE3  H N N 329 
TRP HZ2  H N N 330 
TRP HZ3  H N N 331 
TRP HH2  H N N 332 
TRP HXT  H N N 333 
TYR N    N N N 334 
TYR CA   C N S 335 
TYR C    C N N 336 
TYR O    O N N 337 
TYR CB   C N N 338 
TYR CG   C Y N 339 
TYR CD1  C Y N 340 
TYR CD2  C Y N 341 
TYR CE1  C Y N 342 
TYR CE2  C Y N 343 
TYR CZ   C Y N 344 
TYR OH   O N N 345 
TYR OXT  O N N 346 
TYR H    H N N 347 
TYR H2   H N N 348 
TYR HA   H N N 349 
TYR HB2  H N N 350 
TYR HB3  H N N 351 
TYR HD1  H N N 352 
TYR HD2  H N N 353 
TYR HE1  H N N 354 
TYR HE2  H N N 355 
TYR HH   H N N 356 
TYR HXT  H N N 357 
VAL N    N N N 358 
VAL CA   C N S 359 
VAL C    C N N 360 
VAL O    O N N 361 
VAL CB   C N N 362 
VAL CG1  C N N 363 
VAL CG2  C N N 364 
VAL OXT  O N N 365 
VAL H    H N N 366 
VAL H2   H N N 367 
VAL HA   H N N 368 
VAL HB   H N N 369 
VAL HG11 H N N 370 
VAL HG12 H N N 371 
VAL HG13 H N N 372 
VAL HG21 H N N 373 
VAL HG22 H N N 374 
VAL HG23 H N N 375 
VAL HXT  H N N 376 
# 
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  
GLN N   CA   sing N N 70  
GLN N   H    sing N N 71  
GLN N   H2   sing N N 72  
GLN CA  C    sing N N 73  
GLN CA  CB   sing N N 74  
GLN CA  HA   sing N N 75  
GLN C   O    doub N N 76  
GLN C   OXT  sing N N 77  
GLN CB  CG   sing N N 78  
GLN CB  HB2  sing N N 79  
GLN CB  HB3  sing N N 80  
GLN CG  CD   sing N N 81  
GLN CG  HG2  sing N N 82  
GLN CG  HG3  sing N N 83  
GLN CD  OE1  doub N N 84  
GLN CD  NE2  sing N N 85  
GLN NE2 HE21 sing N N 86  
GLN NE2 HE22 sing N N 87  
GLN OXT HXT  sing N N 88  
GLU N   CA   sing N N 89  
GLU N   H    sing N N 90  
GLU N   H2   sing N N 91  
GLU CA  C    sing N N 92  
GLU CA  CB   sing N N 93  
GLU CA  HA   sing N N 94  
GLU C   O    doub N N 95  
GLU C   OXT  sing N N 96  
GLU CB  CG   sing N N 97  
GLU CB  HB2  sing N N 98  
GLU CB  HB3  sing N N 99  
GLU CG  CD   sing N N 100 
GLU CG  HG2  sing N N 101 
GLU CG  HG3  sing N N 102 
GLU CD  OE1  doub N N 103 
GLU CD  OE2  sing N N 104 
GLU OE2 HE2  sing N N 105 
GLU OXT HXT  sing N N 106 
GLY N   CA   sing N N 107 
GLY N   H    sing N N 108 
GLY N   H2   sing N N 109 
GLY CA  C    sing N N 110 
GLY CA  HA2  sing N N 111 
GLY CA  HA3  sing N N 112 
GLY C   O    doub N N 113 
GLY C   OXT  sing N N 114 
GLY OXT HXT  sing N N 115 
HIS N   CA   sing N N 116 
HIS N   H    sing N N 117 
HIS N   H2   sing N N 118 
HIS CA  C    sing N N 119 
HIS CA  CB   sing N N 120 
HIS CA  HA   sing N N 121 
HIS C   O    doub N N 122 
HIS C   OXT  sing N N 123 
HIS CB  CG   sing N N 124 
HIS CB  HB2  sing N N 125 
HIS CB  HB3  sing N N 126 
HIS CG  ND1  sing Y N 127 
HIS CG  CD2  doub Y N 128 
HIS ND1 CE1  doub Y N 129 
HIS ND1 HD1  sing N N 130 
HIS CD2 NE2  sing Y N 131 
HIS CD2 HD2  sing N N 132 
HIS CE1 NE2  sing Y N 133 
HIS CE1 HE1  sing N N 134 
HIS NE2 HE2  sing N N 135 
HIS OXT HXT  sing N N 136 
HOH O   H1   sing N N 137 
HOH O   H2   sing N N 138 
ILE N   CA   sing N N 139 
ILE N   H    sing N N 140 
ILE N   H2   sing N N 141 
ILE CA  C    sing N N 142 
ILE CA  CB   sing N N 143 
ILE CA  HA   sing N N 144 
ILE C   O    doub N N 145 
ILE C   OXT  sing N N 146 
ILE CB  CG1  sing N N 147 
ILE CB  CG2  sing N N 148 
ILE CB  HB   sing N N 149 
ILE CG1 CD1  sing N N 150 
ILE CG1 HG12 sing N N 151 
ILE CG1 HG13 sing N N 152 
ILE CG2 HG21 sing N N 153 
ILE CG2 HG22 sing N N 154 
ILE CG2 HG23 sing N N 155 
ILE CD1 HD11 sing N N 156 
ILE CD1 HD12 sing N N 157 
ILE CD1 HD13 sing N N 158 
ILE OXT HXT  sing N N 159 
LEU N   CA   sing N N 160 
LEU N   H    sing N N 161 
LEU N   H2   sing N N 162 
LEU CA  C    sing N N 163 
LEU CA  CB   sing N N 164 
LEU CA  HA   sing N N 165 
LEU C   O    doub N N 166 
LEU C   OXT  sing N N 167 
LEU CB  CG   sing N N 168 
LEU CB  HB2  sing N N 169 
LEU CB  HB3  sing N N 170 
LEU CG  CD1  sing N N 171 
LEU CG  CD2  sing N N 172 
LEU CG  HG   sing N N 173 
LEU CD1 HD11 sing N N 174 
LEU CD1 HD12 sing N N 175 
LEU CD1 HD13 sing N N 176 
LEU CD2 HD21 sing N N 177 
LEU CD2 HD22 sing N N 178 
LEU CD2 HD23 sing N N 179 
LEU OXT HXT  sing N N 180 
LYS N   CA   sing N N 181 
LYS N   H    sing N N 182 
LYS N   H2   sing N N 183 
LYS CA  C    sing N N 184 
LYS CA  CB   sing N N 185 
LYS CA  HA   sing N N 186 
LYS C   O    doub N N 187 
LYS C   OXT  sing N N 188 
LYS CB  CG   sing N N 189 
LYS CB  HB2  sing N N 190 
LYS CB  HB3  sing N N 191 
LYS CG  CD   sing N N 192 
LYS CG  HG2  sing N N 193 
LYS CG  HG3  sing N N 194 
LYS CD  CE   sing N N 195 
LYS CD  HD2  sing N N 196 
LYS CD  HD3  sing N N 197 
LYS CE  NZ   sing N N 198 
LYS CE  HE2  sing N N 199 
LYS CE  HE3  sing N N 200 
LYS NZ  HZ1  sing N N 201 
LYS NZ  HZ2  sing N N 202 
LYS NZ  HZ3  sing N N 203 
LYS OXT HXT  sing N N 204 
MET N   CA   sing N N 205 
MET N   H    sing N N 206 
MET N   H2   sing N N 207 
MET CA  C    sing N N 208 
MET CA  CB   sing N N 209 
MET CA  HA   sing N N 210 
MET C   O    doub N N 211 
MET C   OXT  sing N N 212 
MET CB  CG   sing N N 213 
MET CB  HB2  sing N N 214 
MET CB  HB3  sing N N 215 
MET CG  SD   sing N N 216 
MET CG  HG2  sing N N 217 
MET CG  HG3  sing N N 218 
MET SD  CE   sing N N 219 
MET CE  HE1  sing N N 220 
MET CE  HE2  sing N N 221 
MET CE  HE3  sing N N 222 
MET OXT HXT  sing N N 223 
PHE N   CA   sing N N 224 
PHE N   H    sing N N 225 
PHE N   H2   sing N N 226 
PHE CA  C    sing N N 227 
PHE CA  CB   sing N N 228 
PHE CA  HA   sing N N 229 
PHE C   O    doub N N 230 
PHE C   OXT  sing N N 231 
PHE CB  CG   sing N N 232 
PHE CB  HB2  sing N N 233 
PHE CB  HB3  sing N N 234 
PHE CG  CD1  doub Y N 235 
PHE CG  CD2  sing Y N 236 
PHE CD1 CE1  sing Y N 237 
PHE CD1 HD1  sing N N 238 
PHE CD2 CE2  doub Y N 239 
PHE CD2 HD2  sing N N 240 
PHE CE1 CZ   doub Y N 241 
PHE CE1 HE1  sing N N 242 
PHE CE2 CZ   sing Y N 243 
PHE CE2 HE2  sing N N 244 
PHE CZ  HZ   sing N N 245 
PHE OXT HXT  sing N N 246 
PRO N   CA   sing N N 247 
PRO N   CD   sing N N 248 
PRO N   H    sing N N 249 
PRO CA  C    sing N N 250 
PRO CA  CB   sing N N 251 
PRO CA  HA   sing N N 252 
PRO C   O    doub N N 253 
PRO C   OXT  sing N N 254 
PRO CB  CG   sing N N 255 
PRO CB  HB2  sing N N 256 
PRO CB  HB3  sing N N 257 
PRO CG  CD   sing N N 258 
PRO CG  HG2  sing N N 259 
PRO CG  HG3  sing N N 260 
PRO CD  HD2  sing N N 261 
PRO CD  HD3  sing N N 262 
PRO OXT HXT  sing N N 263 
SER N   CA   sing N N 264 
SER N   H    sing N N 265 
SER N   H2   sing N N 266 
SER CA  C    sing N N 267 
SER CA  CB   sing N N 268 
SER CA  HA   sing N N 269 
SER C   O    doub N N 270 
SER C   OXT  sing N N 271 
SER CB  OG   sing N N 272 
SER CB  HB2  sing N N 273 
SER CB  HB3  sing N N 274 
SER OG  HG   sing N N 275 
SER OXT HXT  sing N N 276 
THR N   CA   sing N N 277 
THR N   H    sing N N 278 
THR N   H2   sing N N 279 
THR CA  C    sing N N 280 
THR CA  CB   sing N N 281 
THR CA  HA   sing N N 282 
THR C   O    doub N N 283 
THR C   OXT  sing N N 284 
THR CB  OG1  sing N N 285 
THR CB  CG2  sing N N 286 
THR CB  HB   sing N N 287 
THR OG1 HG1  sing N N 288 
THR CG2 HG21 sing N N 289 
THR CG2 HG22 sing N N 290 
THR CG2 HG23 sing N N 291 
THR OXT HXT  sing N N 292 
TRP N   CA   sing N N 293 
TRP N   H    sing N N 294 
TRP N   H2   sing N N 295 
TRP CA  C    sing N N 296 
TRP CA  CB   sing N N 297 
TRP CA  HA   sing N N 298 
TRP C   O    doub N N 299 
TRP C   OXT  sing N N 300 
TRP CB  CG   sing N N 301 
TRP CB  HB2  sing N N 302 
TRP CB  HB3  sing N N 303 
TRP CG  CD1  doub Y N 304 
TRP CG  CD2  sing Y N 305 
TRP CD1 NE1  sing Y N 306 
TRP CD1 HD1  sing N N 307 
TRP CD2 CE2  doub Y N 308 
TRP CD2 CE3  sing Y N 309 
TRP NE1 CE2  sing Y N 310 
TRP NE1 HE1  sing N N 311 
TRP CE2 CZ2  sing Y N 312 
TRP CE3 CZ3  doub Y N 313 
TRP CE3 HE3  sing N N 314 
TRP CZ2 CH2  doub Y N 315 
TRP CZ2 HZ2  sing N N 316 
TRP CZ3 CH2  sing Y N 317 
TRP CZ3 HZ3  sing N N 318 
TRP CH2 HH2  sing N N 319 
TRP OXT HXT  sing N N 320 
TYR N   CA   sing N N 321 
TYR N   H    sing N N 322 
TYR N   H2   sing N N 323 
TYR CA  C    sing N N 324 
TYR CA  CB   sing N N 325 
TYR CA  HA   sing N N 326 
TYR C   O    doub N N 327 
TYR C   OXT  sing N N 328 
TYR CB  CG   sing N N 329 
TYR CB  HB2  sing N N 330 
TYR CB  HB3  sing N N 331 
TYR CG  CD1  doub Y N 332 
TYR CG  CD2  sing Y N 333 
TYR CD1 CE1  sing Y N 334 
TYR CD1 HD1  sing N N 335 
TYR CD2 CE2  doub Y N 336 
TYR CD2 HD2  sing N N 337 
TYR CE1 CZ   doub Y N 338 
TYR CE1 HE1  sing N N 339 
TYR CE2 CZ   sing Y N 340 
TYR CE2 HE2  sing N N 341 
TYR CZ  OH   sing N N 342 
TYR OH  HH   sing N N 343 
TYR OXT HXT  sing N N 344 
VAL N   CA   sing N N 345 
VAL N   H    sing N N 346 
VAL N   H2   sing N N 347 
VAL CA  C    sing N N 348 
VAL CA  CB   sing N N 349 
VAL CA  HA   sing N N 350 
VAL C   O    doub N N 351 
VAL C   OXT  sing N N 352 
VAL CB  CG1  sing N N 353 
VAL CB  CG2  sing N N 354 
VAL CB  HB   sing N N 355 
VAL CG1 HG11 sing N N 356 
VAL CG1 HG12 sing N N 357 
VAL CG1 HG13 sing N N 358 
VAL CG2 HG21 sing N N 359 
VAL CG2 HG22 sing N N 360 
VAL CG2 HG23 sing N N 361 
VAL OXT HXT  sing N N 362 
# 
_pdbx_audit_support.funding_organization   'Swiss National Science Foundation' 
_pdbx_audit_support.country                Switzerland 
_pdbx_audit_support.grant_number           PZ00P3_202090 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'in silico model' 
_pdbx_initial_refinement_model.source_name      AlphaFold 
_pdbx_initial_refinement_model.accession_code   ? 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9GFQ 
_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]   0.027447 
_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]   0.019608 
_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]   0.017748 
_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   . MET A 1 1   ? -1.699  -5.431  -5.738 1.00 31.04 ? 1   MET A N   1 
ATOM   2   C CA  . MET A 1 1   ? -2.860  -5.263  -4.865 1.00 23.83 ? 1   MET A CA  1 
ATOM   3   C C   . MET A 1 1   ? -3.955  -6.260  -5.213 1.00 24.38 ? 1   MET A C   1 
ATOM   4   O O   . MET A 1 1   ? -4.545  -6.197  -6.287 1.00 28.34 ? 1   MET A O   1 
ATOM   5   C CB  . MET A 1 1   ? -3.411  -3.840  -4.960 1.00 29.10 ? 1   MET A CB  1 
ATOM   6   C CG  . MET A 1 1   ? -4.354  -3.491  -3.823 1.00 28.23 ? 1   MET A CG  1 
ATOM   7   S SD  . MET A 1 1   ? -5.231  -1.927  -4.018 1.00 45.78 ? 1   MET A SD  1 
ATOM   8   C CE  . MET A 1 1   ? -3.876  -0.755  -4.134 1.00 35.39 ? 1   MET A CE  1 
ATOM   9   N N   . GLU A 1 2   ? -4.235  -7.180  -4.292 1.00 25.35 ? 2   GLU A N   1 
ATOM   10  C CA  . GLU A 1 2   ? -5.234  -8.214  -4.514 1.00 20.15 ? 2   GLU A CA  1 
ATOM   11  C C   . GLU A 1 2   ? -6.614  -7.701  -4.107 1.00 22.77 ? 2   GLU A C   1 
ATOM   12  O O   . GLU A 1 2   ? -6.763  -7.036  -3.079 1.00 21.34 ? 2   GLU A O   1 
ATOM   13  C CB  . GLU A 1 2   ? -4.882  -9.479  -3.719 1.00 20.63 ? 2   GLU A CB  1 
ATOM   14  C CG  . GLU A 1 2   ? -5.800  -10.649 -4.000 1.00 24.95 ? 2   GLU A CG  1 
ATOM   15  C CD  . GLU A 1 2   ? -5.390  -11.949 -3.314 1.00 25.39 ? 2   GLU A CD  1 
ATOM   16  O OE1 . GLU A 1 2   ? -4.250  -12.046 -2.803 1.00 28.14 ? 2   GLU A OE1 1 
ATOM   17  O OE2 . GLU A 1 2   ? -6.223  -12.881 -3.290 1.00 27.02 ? 2   GLU A OE2 1 
ATOM   18  N N   . ILE A 1 3   ? -7.621  -8.018  -4.917 1.00 17.45 ? 3   ILE A N   1 
ATOM   19  C CA  . ILE A 1 3   ? -9.004  -7.641  -4.652 1.00 21.50 ? 3   ILE A CA  1 
ATOM   20  C C   . ILE A 1 3   ? -9.736  -8.823  -4.032 1.00 23.23 ? 3   ILE A C   1 
ATOM   21  O O   . ILE A 1 3   ? -9.727  -9.927  -4.587 1.00 19.45 ? 3   ILE A O   1 
ATOM   22  C CB  . ILE A 1 3   ? -9.707  -7.197  -5.941 1.00 23.83 ? 3   ILE A CB  1 
ATOM   23  C CG1 . ILE A 1 3   ? -8.976  -6.010  -6.553 1.00 22.91 ? 3   ILE A CG1 1 
ATOM   24  C CG2 . ILE A 1 3   ? -11.173 -6.899  -5.664 1.00 24.21 ? 3   ILE A CG2 1 
ATOM   25  C CD1 . ILE A 1 3   ? -9.578  -5.562  -7.850 1.00 32.83 ? 3   ILE A CD1 1 
ATOM   26  N N   . VAL A 1 4   ? -10.385 -8.597  -2.888 1.00 20.70 ? 4   VAL A N   1 
ATOM   27  C CA  . VAL A 1 4   ? -11.136 -9.644  -2.207 1.00 17.82 ? 4   VAL A CA  1 
ATOM   28  C C   . VAL A 1 4   ? -12.587 -9.199  -2.094 1.00 21.90 ? 4   VAL A C   1 
ATOM   29  O O   . VAL A 1 4   ? -12.869 -8.008  -1.923 1.00 21.04 ? 4   VAL A O   1 
ATOM   30  C CB  . VAL A 1 4   ? -10.527 -9.967  -0.825 1.00 20.54 ? 4   VAL A CB  1 
ATOM   31  C CG1 . VAL A 1 4   ? -9.173  -10.621 -0.997 1.00 18.91 ? 4   VAL A CG1 1 
ATOM   32  C CG2 . VAL A 1 4   ? -10.366 -8.699  0.003  1.00 19.05 ? 4   VAL A CG2 1 
ATOM   33  N N   . SER A 1 5   ? -13.521 -10.144 -2.233 1.00 19.75 ? 5   SER A N   1 
ATOM   34  C CA  . SER A 1 5   ? -14.913 -9.714  -2.225 1.00 19.89 ? 5   SER A CA  1 
ATOM   35  C C   . SER A 1 5   ? -15.318 -9.185  -0.857 1.00 19.03 ? 5   SER A C   1 
ATOM   36  O O   . SER A 1 5   ? -16.178 -8.300  -0.768 1.00 21.20 ? 5   SER A O   1 
ATOM   37  C CB  . SER A 1 5   ? -15.832 -10.852 -2.667 1.00 24.23 ? 5   SER A CB  1 
ATOM   38  O OG  . SER A 1 5   ? -15.833 -11.912 -1.745 1.00 26.14 ? 5   SER A OG  1 
ATOM   39  N N   . LYS A 1 6   ? -14.714 -9.706  0.210  1.00 18.35 ? 6   LYS A N   1 
ATOM   40  C CA  . LYS A 1 6   ? -14.905 -9.193  1.562  1.00 19.09 ? 6   LYS A CA  1 
ATOM   41  C C   . LYS A 1 6   ? -13.538 -9.014  2.189  1.00 17.04 ? 6   LYS A C   1 
ATOM   42  O O   . LYS A 1 6   ? -12.728 -9.940  2.165  1.00 16.99 ? 6   LYS A O   1 
ATOM   43  C CB  . LYS A 1 6   ? -15.720 -10.148 2.440  1.00 21.08 ? 6   LYS A CB  1 
ATOM   44  C CG  . LYS A 1 6   ? -16.949 -10.752 1.789  1.00 26.39 ? 6   LYS A CG  1 
ATOM   45  C CD  . LYS A 1 6   ? -18.178 -9.922  2.036  1.00 29.09 ? 6   LYS A CD  1 
ATOM   46  C CE  . LYS A 1 6   ? -19.424 -10.784 1.859  1.00 28.16 ? 6   LYS A CE  1 
ATOM   47  N NZ  . LYS A 1 6   ? -19.535 -11.305 0.476  1.00 26.98 ? 6   LYS A NZ  1 
ATOM   48  N N   . LEU A 1 7   ? -13.283 -7.839  2.768  1.00 15.96 ? 7   LEU A N   1 
ATOM   49  C CA  . LEU A 1 7   ? -12.063 -7.613  3.533  1.00 17.69 ? 7   LEU A CA  1 
ATOM   50  C C   . LEU A 1 7   ? -12.298 -8.086  4.959  1.00 22.23 ? 7   LEU A C   1 
ATOM   51  O O   . LEU A 1 7   ? -13.141 -7.533  5.666  1.00 16.23 ? 7   LEU A O   1 
ATOM   52  C CB  . LEU A 1 7   ? -11.667 -6.142  3.523  1.00 17.48 ? 7   LEU A CB  1 
ATOM   53  C CG  . LEU A 1 7   ? -10.253 -5.876  4.007  1.00 20.19 ? 7   LEU A CG  1 
ATOM   54  C CD1 . LEU A 1 7   ? -9.278  -6.367  2.959  1.00 26.73 ? 7   LEU A CD1 1 
ATOM   55  C CD2 . LEU A 1 7   ? -10.090 -4.388  4.211  1.00 20.26 ? 7   LEU A CD2 1 
ATOM   56  N N   . THR A 1 8   ? -11.582 -9.136  5.367  1.00 20.76 ? 8   THR A N   1 
ATOM   57  C CA  . THR A 1 8   ? -11.659 -9.650  6.728  1.00 17.86 ? 8   THR A CA  1 
ATOM   58  C C   . THR A 1 8   ? -10.244 -10.017 7.162  1.00 20.08 ? 8   THR A C   1 
ATOM   59  O O   . THR A 1 8   ? -9.342  -10.144 6.336  1.00 18.33 ? 8   THR A O   1 
ATOM   60  C CB  . THR A 1 8   ? -12.575 -10.882 6.852  1.00 20.57 ? 8   THR A CB  1 
ATOM   61  O OG1 . THR A 1 8   ? -11.864 -12.053 6.438  1.00 23.12 ? 8   THR A OG1 1 
ATOM   62  C CG2 . THR A 1 8   ? -13.846 -10.734 6.018  1.00 17.09 ? 8   THR A CG2 1 
ATOM   63  N N   . LEU A 1 9   ? -10.043 -10.174 8.471  1.00 19.49 ? 9   LEU A N   1 
ATOM   64  C CA  . LEU A 1 9   ? -8.725  -10.606 8.928  1.00 17.58 ? 9   LEU A CA  1 
ATOM   65  C C   . LEU A 1 9   ? -8.334  -11.941 8.305  1.00 20.74 ? 9   LEU A C   1 
ATOM   66  O O   . LEU A 1 9   ? -7.146  -12.186 8.062  1.00 21.72 ? 9   LEU A O   1 
ATOM   67  C CB  . LEU A 1 9   ? -8.693  -10.698 10.448 1.00 22.05 ? 9   LEU A CB  1 
ATOM   68  C CG  . LEU A 1 9   ? -8.769  -9.350  11.163 1.00 23.95 ? 9   LEU A CG  1 
ATOM   69  C CD1 . LEU A 1 9   ? -8.774  -9.565  12.672 1.00 25.63 ? 9   LEU A CD1 1 
ATOM   70  C CD2 . LEU A 1 9   ? -7.605  -8.458  10.745 1.00 25.86 ? 9   LEU A CD2 1 
ATOM   71  N N   . LYS A 1 10  ? -9.312  -12.792 7.993  1.00 21.96 ? 10  LYS A N   1 
ATOM   72  C CA  . LYS A 1 10  ? -8.989  -14.069 7.357  1.00 21.20 ? 10  LYS A CA  1 
ATOM   73  C C   . LYS A 1 10  ? -8.620  -13.899 5.885  1.00 23.71 ? 10  LYS A C   1 
ATOM   74  O O   . LYS A 1 10  ? -7.649  -14.512 5.419  1.00 23.70 ? 10  LYS A O   1 
ATOM   75  C CB  . LYS A 1 10  ? -10.153 -15.047 7.504  1.00 28.15 ? 10  LYS A CB  1 
ATOM   76  C CG  . LYS A 1 10  ? -9.938  -16.357 6.746  1.00 30.45 ? 10  LYS A CG  1 
ATOM   77  C CD  . LYS A 1 10  ? -10.977 -17.404 7.129  1.00 36.86 ? 10  LYS A CD  1 
ATOM   78  C CE  . LYS A 1 10  ? -10.479 -18.258 8.289  1.00 45.80 ? 10  LYS A CE  1 
ATOM   79  N NZ  . LYS A 1 10  ? -11.588 -18.811 9.121  1.00 46.15 ? 10  LYS A NZ  1 
ATOM   80  N N   . THR A 1 11  ? -9.367  -13.081 5.128  1.00 20.93 ? 11  THR A N   1 
ATOM   81  C CA  . THR A 1 11  ? -9.031  -12.933 3.713  1.00 23.98 ? 11  THR A CA  1 
ATOM   82  C C   . THR A 1 11  ? -7.755  -12.124 3.511  1.00 25.10 ? 11  THR A C   1 
ATOM   83  O O   . THR A 1 11  ? -7.116  -12.248 2.460  1.00 29.18 ? 11  THR A O   1 
ATOM   84  C CB  . THR A 1 11  ? -10.185 -12.296 2.923  1.00 21.02 ? 11  THR A CB  1 
ATOM   85  O OG1 . THR A 1 11  ? -10.441 -10.964 3.400  1.00 20.98 ? 11  THR A OG1 1 
ATOM   86  C CG2 . THR A 1 11  ? -11.448 -13.121 3.043  1.00 21.40 ? 11  THR A CG2 1 
ATOM   87  N N   . ILE A 1 12  ? -7.355  -11.323 4.501  1.00 20.29 ? 12  ILE A N   1 
ATOM   88  C CA  . ILE A 1 12  ? -6.061  -10.637 4.468  1.00 23.72 ? 12  ILE A CA  1 
ATOM   89  C C   . ILE A 1 12  ? -4.907  -11.571 4.801  1.00 22.72 ? 12  ILE A C   1 
ATOM   90  O O   . ILE A 1 12  ? -3.744  -11.218 4.558  1.00 23.08 ? 12  ILE A O   1 
ATOM   91  C CB  . ILE A 1 12  ? -6.125  -9.431  5.429  1.00 24.09 ? 12  ILE A CB  1 
ATOM   92  C CG1 . ILE A 1 12  ? -7.065  -8.367  4.868  1.00 28.69 ? 12  ILE A CG1 1 
ATOM   93  C CG2 . ILE A 1 12  ? -4.758  -8.802  5.687  1.00 27.40 ? 12  ILE A CG2 1 
ATOM   94  C CD1 . ILE A 1 12  ? -6.952  -7.047  5.585  1.00 33.49 ? 12  ILE A CD1 1 
ATOM   95  N N   . GLY A 1 13  ? -5.198  -12.764 5.315  1.00 22.89 ? 13  GLY A N   1 
ATOM   96  C CA  . GLY A 1 13  ? -4.163  -13.685 5.745  1.00 18.68 ? 13  GLY A CA  1 
ATOM   97  C C   . GLY A 1 13  ? -3.556  -13.340 7.082  1.00 22.44 ? 13  GLY A C   1 
ATOM   98  O O   . GLY A 1 13  ? -2.383  -13.655 7.335  1.00 21.23 ? 13  GLY A O   1 
ATOM   99  N N   . ALA A 1 14  ? -4.319  -12.686 7.960  1.00 22.26 ? 14  ALA A N   1 
ATOM   100 C CA  . ALA A 1 14  ? -3.756  -12.165 9.198  1.00 22.20 ? 14  ALA A CA  1 
ATOM   101 C C   . ALA A 1 14  ? -4.490  -12.660 10.435 1.00 18.76 ? 14  ALA A C   1 
ATOM   102 O O   . ALA A 1 14  ? -4.325  -12.079 11.511 1.00 24.47 ? 14  ALA A O   1 
ATOM   103 C CB  . ALA A 1 14  ? -3.736  -10.633 9.182  1.00 20.01 ? 14  ALA A CB  1 
ATOM   104 N N   . GLN A 1 15  ? -5.294  -13.721 10.322 1.00 18.71 ? 15  GLN A N   1 
ATOM   105 C CA  . GLN A 1 15  ? -5.981  -14.264 11.487 1.00 22.08 ? 15  GLN A CA  1 
ATOM   106 C C   . GLN A 1 15  ? -5.085  -15.290 12.173 1.00 26.92 ? 15  GLN A C   1 
ATOM   107 O O   . GLN A 1 15  ? -4.793  -16.339 11.577 1.00 22.94 ? 15  GLN A O   1 
ATOM   108 C CB  . GLN A 1 15  ? -7.304  -14.903 11.079 1.00 21.04 ? 15  GLN A CB  1 
ATOM   109 C CG  . GLN A 1 15  ? -8.096  -15.483 12.248 1.00 26.40 ? 15  GLN A CG  1 
ATOM   110 C CD  . GLN A 1 15  ? -9.391  -16.128 11.802 1.00 30.10 ? 15  GLN A CD  1 
ATOM   111 O OE1 . GLN A 1 15  ? -9.481  -17.352 11.681 1.00 37.57 ? 15  GLN A OE1 1 
ATOM   112 N NE2 . GLN A 1 15  ? -10.399 -15.310 11.546 1.00 27.90 ? 15  GLN A NE2 1 
ATOM   113 N N   . PRO A 1 16  ? -4.638  -15.053 13.411 1.00 20.97 ? 16  PRO A N   1 
ATOM   114 C CA  . PRO A 1 16  ? -3.749  -16.018 14.067 1.00 19.25 ? 16  PRO A CA  1 
ATOM   115 C C   . PRO A 1 16  ? -4.452  -17.339 14.331 1.00 24.54 ? 16  PRO A C   1 
ATOM   116 O O   . PRO A 1 16  ? -5.661  -17.390 14.583 1.00 22.45 ? 16  PRO A O   1 
ATOM   117 C CB  . PRO A 1 16  ? -3.371  -15.324 15.379 1.00 24.26 ? 16  PRO A CB  1 
ATOM   118 C CG  . PRO A 1 16  ? -3.630  -13.850 15.130 1.00 19.68 ? 16  PRO A CG  1 
ATOM   119 C CD  . PRO A 1 16  ? -4.827  -13.833 14.217 1.00 18.87 ? 16  PRO A CD  1 
ATOM   120 N N   . LYS A 1 17  ? -3.673  -18.419 14.270 1.00 23.55 ? 17  LYS A N   1 
ATOM   121 C CA  . LYS A 1 17  ? -4.188  -19.725 14.648 1.00 22.61 ? 17  LYS A CA  1 
ATOM   122 C C   . LYS A 1 17  ? -4.525  -19.742 16.136 1.00 18.38 ? 17  LYS A C   1 
ATOM   123 O O   . LYS A 1 17  ? -3.920  -19.008 16.922 1.00 23.66 ? 17  LYS A O   1 
ATOM   124 C CB  . LYS A 1 17  ? -3.168  -20.822 14.345 1.00 27.84 ? 17  LYS A CB  1 
ATOM   125 C CG  . LYS A 1 17  ? -2.768  -20.936 12.876 1.00 36.55 ? 17  LYS A CG  1 
ATOM   126 C CD  . LYS A 1 17  ? -2.438  -22.387 12.515 1.00 44.58 ? 17  LYS A CD  1 
ATOM   127 C CE  . LYS A 1 17  ? -1.257  -22.493 11.551 1.00 51.30 ? 17  LYS A CE  1 
ATOM   128 N NZ  . LYS A 1 17  ? -1.072  -23.898 11.054 1.00 46.71 ? 17  LYS A NZ  1 
ATOM   129 N N   . PRO A 1 18  ? -5.484  -20.573 16.548 1.00 24.37 ? 18  PRO A N   1 
ATOM   130 C CA  . PRO A 1 18  ? -5.841  -20.635 17.969 1.00 25.03 ? 18  PRO A CA  1 
ATOM   131 C C   . PRO A 1 18  ? -4.621  -20.883 18.842 1.00 25.79 ? 18  PRO A C   1 
ATOM   132 O O   . PRO A 1 18  ? -3.754  -21.696 18.512 1.00 26.48 ? 18  PRO A O   1 
ATOM   133 C CB  . PRO A 1 18  ? -6.830  -21.805 18.031 1.00 23.52 ? 18  PRO A CB  1 
ATOM   134 C CG  . PRO A 1 18  ? -7.490  -21.777 16.690 1.00 28.09 ? 18  PRO A CG  1 
ATOM   135 C CD  . PRO A 1 18  ? -6.400  -21.382 15.719 1.00 25.18 ? 18  PRO A CD  1 
ATOM   136 N N   . HIS A 1 19  ? -4.546  -20.134 19.945 1.00 23.55 ? 19  HIS A N   1 
ATOM   137 C CA  . HIS A 1 19  ? -3.568  -20.314 21.014 1.00 22.99 ? 19  HIS A CA  1 
ATOM   138 C C   . HIS A 1 19  ? -2.146  -19.983 20.584 1.00 25.12 ? 19  HIS A C   1 
ATOM   139 O O   . HIS A 1 19  ? -1.189  -20.332 21.276 1.00 29.29 ? 19  HIS A O   1 
ATOM   140 C CB  . HIS A 1 19  ? -3.678  -21.725 21.602 1.00 26.60 ? 19  HIS A CB  1 
ATOM   141 C CG  . HIS A 1 19  ? -5.077  -22.066 22.011 1.00 26.49 ? 19  HIS A CG  1 
ATOM   142 N ND1 . HIS A 1 19  ? -5.695  -21.476 23.093 1.00 30.08 ? 19  HIS A ND1 1 
ATOM   143 C CD2 . HIS A 1 19  ? -6.006  -22.868 21.439 1.00 30.88 ? 19  HIS A CD2 1 
ATOM   144 C CE1 . HIS A 1 19  ? -6.933  -21.927 23.191 1.00 24.49 ? 19  HIS A CE1 1 
ATOM   145 N NE2 . HIS A 1 19  ? -7.148  -22.772 22.198 1.00 31.64 ? 19  HIS A NE2 1 
ATOM   146 N N   . SER A 1 20  ? -1.983  -19.255 19.485 1.00 24.71 ? 20  SER A N   1 
ATOM   147 C CA  . SER A 1 20  ? -0.661  -18.876 19.006 1.00 21.65 ? 20  SER A CA  1 
ATOM   148 C C   . SER A 1 20  ? -0.212  -17.500 19.477 1.00 25.16 ? 20  SER A C   1 
ATOM   149 O O   . SER A 1 20  ? 0.941   -17.133 19.234 1.00 24.56 ? 20  SER A O   1 
ATOM   150 C CB  . SER A 1 20  ? -0.635  -18.902 17.479 1.00 26.92 ? 20  SER A CB  1 
ATOM   151 O OG  . SER A 1 20  ? -1.466  -17.881 16.948 1.00 25.32 ? 20  SER A OG  1 
ATOM   152 N N   . VAL A 1 21  ? -1.080  -16.727 20.124 1.00 24.60 ? 21  VAL A N   1 
ATOM   153 C CA  . VAL A 1 21  ? -0.778  -15.343 20.479 1.00 23.78 ? 21  VAL A CA  1 
ATOM   154 C C   . VAL A 1 21  ? -0.324  -15.310 21.932 1.00 26.22 ? 21  VAL A C   1 
ATOM   155 O O   . VAL A 1 21  ? -1.144  -15.400 22.852 1.00 26.93 ? 21  VAL A O   1 
ATOM   156 C CB  . VAL A 1 21  ? -1.983  -14.426 20.248 1.00 22.41 ? 21  VAL A CB  1 
ATOM   157 C CG1 . VAL A 1 21  ? -1.664  -12.998 20.697 1.00 23.81 ? 21  VAL A CG1 1 
ATOM   158 C CG2 . VAL A 1 21  ? -2.375  -14.445 18.778 1.00 24.08 ? 21  VAL A CG2 1 
ATOM   159 N N   . LYS A 1 22  ? 0.984   -15.163 22.140 1.00 25.57 ? 22  LYS A N   1 
ATOM   160 C CA  . LYS A 1 22  ? 1.555   -15.095 23.478 1.00 32.36 ? 22  LYS A CA  1 
ATOM   161 C C   . LYS A 1 22  ? 1.942   -13.686 23.904 1.00 28.79 ? 22  LYS A C   1 
ATOM   162 O O   . LYS A 1 22  ? 2.099   -13.435 25.105 1.00 29.50 ? 22  LYS A O   1 
ATOM   163 C CB  . LYS A 1 22  ? 2.780   -16.014 23.575 1.00 29.57 ? 22  LYS A CB  1 
ATOM   164 C CG  . LYS A 1 22  ? 2.466   -17.449 23.214 1.00 35.43 ? 22  LYS A CG  1 
ATOM   165 C CD  . LYS A 1 22  ? 1.327   -17.999 24.060 1.00 36.61 ? 22  LYS A CD  1 
ATOM   166 C CE  . LYS A 1 22  ? 1.016   -19.452 23.690 1.00 41.16 ? 22  LYS A CE  1 
ATOM   167 N NZ  . LYS A 1 22  ? -0.034  -20.069 24.557 1.00 43.92 ? 22  LYS A NZ  1 
ATOM   168 N N   . GLU A 1 23  ? 2.091   -12.763 22.961 1.00 28.98 ? 23  GLU A N   1 
ATOM   169 C CA  . GLU A 1 23  ? 2.245   -11.353 23.275 1.00 26.70 ? 23  GLU A CA  1 
ATOM   170 C C   . GLU A 1 23  ? 1.427   -10.559 22.274 1.00 21.51 ? 23  GLU A C   1 
ATOM   171 O O   . GLU A 1 23  ? 0.936   -11.101 21.277 1.00 21.82 ? 23  GLU A O   1 
ATOM   172 C CB  . GLU A 1 23  ? 3.712   -10.926 23.229 1.00 26.77 ? 23  GLU A CB  1 
ATOM   173 C CG  . GLU A 1 23  ? 4.343   -11.134 21.869 1.00 35.25 ? 23  GLU A CG  1 
ATOM   174 C CD  . GLU A 1 23  ? 5.821   -10.807 21.866 1.00 45.55 ? 23  GLU A CD  1 
ATOM   175 O OE1 . GLU A 1 23  ? 6.166   -9.606  21.755 1.00 51.87 ? 23  GLU A OE1 1 
ATOM   176 O OE2 . GLU A 1 23  ? 6.636   -11.749 21.997 1.00 45.55 ? 23  GLU A OE2 1 
ATOM   177 N N   . ASN A 1 24  ? 1.265   -9.268  22.553 1.00 22.15 ? 24  ASN A N   1 
ATOM   178 C CA  . ASN A 1 24  ? 0.554   -8.395  21.633 1.00 22.53 ? 24  ASN A CA  1 
ATOM   179 C C   . ASN A 1 24  ? 1.154   -8.508  20.238 1.00 20.95 ? 24  ASN A C   1 
ATOM   180 O O   . ASN A 1 24  ? 2.378   -8.459  20.061 1.00 24.16 ? 24  ASN A O   1 
ATOM   181 C CB  . ASN A 1 24  ? 0.598   -6.948  22.139 1.00 24.03 ? 24  ASN A CB  1 
ATOM   182 C CG  . ASN A 1 24  ? -0.286  -6.736  23.356 1.00 27.59 ? 24  ASN A CG  1 
ATOM   183 O OD1 . ASN A 1 24  ? -1.263  -7.460  23.559 1.00 25.19 ? 24  ASN A OD1 1 
ATOM   184 N ND2 . ASN A 1 24  ? 0.043   -5.734  24.168 1.00 33.71 ? 24  ASN A ND2 1 
ATOM   185 N N   . THR A 1 25  ? 0.277   -8.684  19.248 1.00 22.71 ? 25  THR A N   1 
ATOM   186 C CA  . THR A 1 25  ? 0.664   -8.987  17.874 1.00 19.77 ? 25  THR A CA  1 
ATOM   187 C C   . THR A 1 25  ? -0.134  -8.099  16.930 1.00 21.61 ? 25  THR A C   1 
ATOM   188 O O   . THR A 1 25  ? -1.368  -8.176  16.898 1.00 22.85 ? 25  THR A O   1 
ATOM   189 C CB  . THR A 1 25  ? 0.413   -10.465 17.571 1.00 25.23 ? 25  THR A CB  1 
ATOM   190 O OG1 . THR A 1 25  ? 1.067   -11.257 18.571 1.00 24.43 ? 25  THR A OG1 1 
ATOM   191 C CG2 . THR A 1 25  ? 0.942   -10.844 16.192 1.00 22.37 ? 25  THR A CG2 1 
ATOM   192 N N   . ALA A 1 26  ? 0.558   -7.247  16.173 1.00 20.16 ? 26  ALA A N   1 
ATOM   193 C CA  . ALA A 1 26  ? -0.124  -6.390  15.213 1.00 21.80 ? 26  ALA A CA  1 
ATOM   194 C C   . ALA A 1 26  ? -0.505  -7.200  13.974 1.00 21.87 ? 26  ALA A C   1 
ATOM   195 O O   . ALA A 1 26  ? 0.345   -7.862  13.367 1.00 23.24 ? 26  ALA A O   1 
ATOM   196 C CB  . ALA A 1 26  ? 0.764   -5.205  14.839 1.00 26.05 ? 26  ALA A CB  1 
ATOM   197 N N   . LEU A 1 27  ? -1.786  -7.144  13.598 1.00 18.06 ? 27  LEU A N   1 
ATOM   198 C CA  . LEU A 1 27  ? -2.324  -7.995  12.541 1.00 20.63 ? 27  LEU A CA  1 
ATOM   199 C C   . LEU A 1 27  ? -2.451  -7.255  11.217 1.00 19.12 ? 27  LEU A C   1 
ATOM   200 O O   . LEU A 1 27  ? -1.913  -7.704  10.201 1.00 18.59 ? 27  LEU A O   1 
ATOM   201 C CB  . LEU A 1 27  ? -3.691  -8.560  12.955 1.00 16.52 ? 27  LEU A CB  1 
ATOM   202 C CG  . LEU A 1 27  ? -3.766  -9.300  14.293 1.00 17.03 ? 27  LEU A CG  1 
ATOM   203 C CD1 . LEU A 1 27  ? -5.151  -9.922  14.427 1.00 16.78 ? 27  LEU A CD1 1 
ATOM   204 C CD2 . LEU A 1 27  ? -2.687  -10.355 14.404 1.00 19.41 ? 27  LEU A CD2 1 
ATOM   205 N N   . ALA A 1 28  ? -3.170  -6.131  11.204 1.00 18.75 ? 28  ALA A N   1 
ATOM   206 C CA  . ALA A 1 28  ? -3.503  -5.502  9.934  1.00 16.46 ? 28  ALA A CA  1 
ATOM   207 C C   . ALA A 1 28  ? -3.782  -4.027  10.146 1.00 20.55 ? 28  ALA A C   1 
ATOM   208 O O   . ALA A 1 28  ? -4.261  -3.621  11.205 1.00 20.37 ? 28  ALA A O   1 
ATOM   209 C CB  . ALA A 1 28  ? -4.729  -6.154  9.278  1.00 18.96 ? 28  ALA A CB  1 
ATOM   210 N N   . SER A 1 29  ? -3.468  -3.236  9.127  1.00 17.49 ? 29  SER A N   1 
ATOM   211 C CA  . SER A 1 29  ? -3.945  -1.863  9.025  1.00 19.65 ? 29  SER A CA  1 
ATOM   212 C C   . SER A 1 29  ? -5.110  -1.835  8.055  1.00 22.17 ? 29  SER A C   1 
ATOM   213 O O   . SER A 1 29  ? -5.043  -2.445  6.990  1.00 24.89 ? 29  SER A O   1 
ATOM   214 C CB  . SER A 1 29  ? -2.841  -0.927  8.535  1.00 25.92 ? 29  SER A CB  1 
ATOM   215 O OG  . SER A 1 29  ? -1.756  -0.948  9.446  1.00 36.57 ? 29  SER A OG  1 
ATOM   216 N N   . ILE A 1 30  ? -6.182  -1.127  8.419  1.00 18.80 ? 30  ILE A N   1 
ATOM   217 C CA  . ILE A 1 30  ? -7.359  -1.033  7.565  1.00 18.00 ? 30  ILE A CA  1 
ATOM   218 C C   . ILE A 1 30  ? -7.727  0.432   7.397  1.00 19.59 ? 30  ILE A C   1 
ATOM   219 O O   . ILE A 1 30  ? -7.912  1.144   8.388  1.00 18.77 ? 30  ILE A O   1 
ATOM   220 C CB  . ILE A 1 30  ? -8.550  -1.823  8.134  1.00 19.87 ? 30  ILE A CB  1 
ATOM   221 C CG1 . ILE A 1 30  ? -8.200  -3.318  8.214  1.00 21.11 ? 30  ILE A CG1 1 
ATOM   222 C CG2 . ILE A 1 30  ? -9.784  -1.616  7.270  1.00 18.79 ? 30  ILE A CG2 1 
ATOM   223 C CD1 . ILE A 1 30  ? -9.260  -4.164  8.846  1.00 28.70 ? 30  ILE A CD1 1 
ATOM   224 N N   . TYR A 1 31  ? -7.860  0.861   6.149  1.00 18.19 ? 31  TYR A N   1 
ATOM   225 C CA  . TYR A 1 31  ? -8.302  2.198   5.769  1.00 21.20 ? 31  TYR A CA  1 
ATOM   226 C C   . TYR A 1 31  ? -9.668  2.062   5.121  1.00 24.67 ? 31  TYR A C   1 
ATOM   227 O O   . TYR A 1 31  ? -9.842  1.248   4.209  1.00 25.21 ? 31  TYR A O   1 
ATOM   228 C CB  . TYR A 1 31  ? -7.335  2.832   4.771  1.00 23.95 ? 31  TYR A CB  1 
ATOM   229 C CG  . TYR A 1 31  ? -6.046  3.329   5.348  1.00 31.48 ? 31  TYR A CG  1 
ATOM   230 C CD1 . TYR A 1 31  ? -4.961  2.481   5.531  1.00 35.43 ? 31  TYR A CD1 1 
ATOM   231 C CD2 . TYR A 1 31  ? -5.902  4.667   5.694  1.00 35.85 ? 31  TYR A CD2 1 
ATOM   232 C CE1 . TYR A 1 31  ? -3.774  2.957   6.053  1.00 37.60 ? 31  TYR A CE1 1 
ATOM   233 C CE2 . TYR A 1 31  ? -4.722  5.150   6.215  1.00 38.77 ? 31  TYR A CE2 1 
ATOM   234 C CZ  . TYR A 1 31  ? -3.664  4.297   6.398  1.00 42.35 ? 31  TYR A CZ  1 
ATOM   235 O OH  . TYR A 1 31  ? -2.496  4.806   6.929  1.00 39.26 ? 31  TYR A OH  1 
ATOM   236 N N   . GLY A 1 32  ? -10.639 2.836   5.572  1.00 21.55 ? 32  GLY A N   1 
ATOM   237 C CA  . GLY A 1 32  ? -12.005 2.605   5.150  1.00 21.04 ? 32  GLY A CA  1 
ATOM   238 C C   . GLY A 1 32  ? -12.755 3.889   4.892  1.00 23.29 ? 32  GLY A C   1 
ATOM   239 O O   . GLY A 1 32  ? -12.500 4.917   5.515  1.00 20.11 ? 32  GLY A O   1 
ATOM   240 N N   . ARG A 1 33  ? -13.676 3.819   3.936  1.00 19.35 ? 33  ARG A N   1 
ATOM   241 C CA  . ARG A 1 33  ? -14.787 4.760   3.849  1.00 17.35 ? 33  ARG A CA  1 
ATOM   242 C C   . ARG A 1 33  ? -16.058 3.933   3.906  1.00 19.02 ? 33  ARG A C   1 
ATOM   243 O O   . ARG A 1 33  ? -16.351 3.177   2.972  1.00 20.31 ? 33  ARG A O   1 
ATOM   244 C CB  . ARG A 1 33  ? -14.750 5.594   2.572  1.00 18.08 ? 33  ARG A CB  1 
ATOM   245 C CG  . ARG A 1 33  ? -16.023 6.423   2.390  1.00 18.54 ? 33  ARG A CG  1 
ATOM   246 C CD  . ARG A 1 33  ? -15.863 7.457   1.288  1.00 23.24 ? 33  ARG A CD  1 
ATOM   247 N NE  . ARG A 1 33  ? -14.846 8.452   1.621  1.00 23.31 ? 33  ARG A NE  1 
ATOM   248 C CZ  . ARG A 1 33  ? -14.329 9.302   0.744  1.00 29.53 ? 33  ARG A CZ  1 
ATOM   249 N NH1 . ARG A 1 33  ? -14.695 9.286   -0.528 1.00 25.13 ? 33  ARG A NH1 1 
ATOM   250 N NH2 . ARG A 1 33  ? -13.432 10.196  1.152  1.00 30.11 ? 33  ARG A NH2 1 
ATOM   251 N N   . VAL A 1 34  ? -16.797 4.055   5.002  1.00 16.86 ? 34  VAL A N   1 
ATOM   252 C CA  . VAL A 1 34  ? -18.026 3.296   5.187  1.00 18.40 ? 34  VAL A CA  1 
ATOM   253 C C   . VAL A 1 34  ? -19.203 4.124   4.703  1.00 24.61 ? 34  VAL A C   1 
ATOM   254 O O   . VAL A 1 34  ? -19.386 5.273   5.126  1.00 20.77 ? 34  VAL A O   1 
ATOM   255 C CB  . VAL A 1 34  ? -18.204 2.880   6.655  1.00 19.49 ? 34  VAL A CB  1 
ATOM   256 C CG1 . VAL A 1 34  ? -19.377 1.924   6.765  1.00 20.29 ? 34  VAL A CG1 1 
ATOM   257 C CG2 . VAL A 1 34  ? -16.964 2.200   7.134  1.00 23.02 ? 34  VAL A CG2 1 
ATOM   258 N N   . ARG A 1 35  ? -19.997 3.541   3.804  1.00 20.96 ? 35  ARG A N   1 
ATOM   259 C CA  . ARG A 1 35  ? -21.145 4.214   3.217  1.00 22.79 ? 35  ARG A CA  1 
ATOM   260 C C   . ARG A 1 35  ? -22.358 3.302   3.196  1.00 25.10 ? 35  ARG A C   1 
ATOM   261 O O   . ARG A 1 35  ? -23.250 3.470   2.365  1.00 34.76 ? 35  ARG A O   1 
ATOM   262 C CB  . ARG A 1 35  ? -20.836 4.718   1.809  1.00 29.17 ? 35  ARG A CB  1 
ATOM   263 C CG  . ARG A 1 35  ? -20.233 6.103   1.810  1.00 36.41 ? 35  ARG A CG  1 
ATOM   264 C CD  . ARG A 1 35  ? -20.398 6.815   0.472  1.00 45.21 ? 35  ARG A CD  1 
ATOM   265 N NE  . ARG A 1 35  ? -21.793 7.036   0.093  1.00 48.92 ? 35  ARG A NE  1 
ATOM   266 C CZ  . ARG A 1 35  ? -22.558 8.024   0.544  1.00 45.79 ? 35  ARG A CZ  1 
ATOM   267 N NH1 . ARG A 1 35  ? -22.120 8.881   1.453  1.00 44.05 ? 35  ARG A NH1 1 
ATOM   268 N NH2 . ARG A 1 35  ? -23.794 8.157   0.070  1.00 46.64 ? 35  ARG A NH2 1 
ATOM   269 N N   . GLY A 1 36  ? -22.409 2.353   4.109  1.00 21.96 ? 36  GLY A N   1 
ATOM   270 C CA  . GLY A 1 36  ? -23.549 1.480   4.249  1.00 22.50 ? 36  GLY A CA  1 
ATOM   271 C C   . GLY A 1 36  ? -23.192 0.249   5.043  1.00 22.28 ? 36  GLY A C   1 
ATOM   272 O O   . GLY A 1 36  ? -22.024 -0.077  5.267  1.00 19.17 ? 36  GLY A O   1 
ATOM   273 N N   A LYS A 1 37  ? -24.227 -0.452  5.485  0.55 25.20 ? 37  LYS A N   1 
ATOM   274 N N   B LYS A 1 37  ? -24.227 -0.452  5.485  0.45 25.62 ? 37  LYS A N   1 
ATOM   275 C CA  . LYS A 1 37  ? -24.021 -1.669  6.253  1.00 25.77 ? 37  LYS A CA  1 
ATOM   276 C C   . LYS A 1 37  ? -25.254 -2.543  6.125  1.00 30.65 ? 37  LYS A C   1 
ATOM   277 O O   . LYS A 1 37  ? -26.379 -2.045  6.043  1.00 30.50 ? 37  LYS A O   1 
ATOM   278 C CB  . LYS A 1 37  ? -23.716 -1.357  7.721  1.00 30.17 ? 37  LYS A CB  1 
ATOM   279 C CG  . LYS A 1 37  ? -24.754 -0.499  8.404  1.00 36.26 ? 37  LYS A CG  1 
ATOM   280 C CD  . LYS A 1 37  ? -24.227 0.054   9.717  1.00 41.27 ? 37  LYS A CD  1 
ATOM   281 C CE  . LYS A 1 37  ? -24.800 -0.703  10.895 1.00 47.07 ? 37  LYS A CE  1 
ATOM   282 N NZ  . LYS A 1 37  ? -26.289 -0.649  10.889 1.00 58.77 ? 37  LYS A NZ  1 
ATOM   283 N N   . LYS A 1 38  ? -25.018 -3.841  6.055  1.00 22.65 ? 38  LYS A N   1 
ATOM   284 C CA  . LYS A 1 38  ? -26.059 -4.842  5.920  1.00 24.49 ? 38  LYS A CA  1 
ATOM   285 C C   . LYS A 1 38  ? -25.791 -5.933  6.938  1.00 24.11 ? 38  LYS A C   1 
ATOM   286 O O   . LYS A 1 38  ? -24.641 -6.332  7.140  1.00 24.28 ? 38  LYS A O   1 
ATOM   287 C CB  . LYS A 1 38  ? -26.078 -5.458  4.518  1.00 29.22 ? 38  LYS A CB  1 
ATOM   288 C CG  . LYS A 1 38  ? -26.799 -4.646  3.460  1.00 38.72 ? 38  LYS A CG  1 
ATOM   289 C CD  . LYS A 1 38  ? -26.620 -5.294  2.091  1.00 45.48 ? 38  LYS A CD  1 
ATOM   290 C CE  . LYS A 1 38  ? -27.069 -4.377  0.962  1.00 47.71 ? 38  LYS A CE  1 
ATOM   291 N NZ  . LYS A 1 38  ? -26.358 -4.703  -0.314 1.00 51.75 ? 38  LYS A NZ  1 
ATOM   292 N N   . VAL A 1 39  ? -26.846 -6.427  7.567  1.00 26.28 ? 39  VAL A N   1 
ATOM   293 C CA  . VAL A 1 39  ? -26.710 -7.587  8.430  1.00 23.56 ? 39  VAL A CA  1 
ATOM   294 C C   . VAL A 1 39  ? -26.595 -8.830  7.560  1.00 24.93 ? 39  VAL A C   1 
ATOM   295 O O   . VAL A 1 39  ? -27.280 -8.965  6.539  1.00 25.55 ? 39  VAL A O   1 
ATOM   296 C CB  . VAL A 1 39  ? -27.899 -7.675  9.400  1.00 29.96 ? 39  VAL A CB  1 
ATOM   297 C CG1 . VAL A 1 39  ? -29.206 -7.462  8.662  1.00 36.27 ? 39  VAL A CG1 1 
ATOM   298 C CG2 . VAL A 1 39  ? -27.895 -9.011  10.130 1.00 32.18 ? 39  VAL A CG2 1 
ATOM   299 N N   . GLY A 1 40  ? -25.682 -9.715  7.931  1.00 22.21 ? 40  GLY A N   1 
ATOM   300 C CA  . GLY A 1 40  ? -25.526 -10.981 7.252  1.00 21.13 ? 40  GLY A CA  1 
ATOM   301 C C   . GLY A 1 40  ? -25.822 -12.068 8.255  1.00 23.39 ? 40  GLY A C   1 
ATOM   302 O O   . GLY A 1 40  ? -25.722 -11.845 9.465  1.00 20.66 ? 40  GLY A O   1 
ATOM   303 N N   . GLN A 1 41  ? -26.217 -13.235 7.772  1.00 20.41 ? 41  GLN A N   1 
ATOM   304 C CA  . GLN A 1 41  ? -26.557 -14.353 8.628  1.00 21.76 ? 41  GLN A CA  1 
ATOM   305 C C   . GLN A 1 41  ? -25.625 -15.515 8.311  1.00 19.95 ? 41  GLN A C   1 
ATOM   306 O O   . GLN A 1 41  ? -25.330 -15.796 7.142  1.00 21.03 ? 41  GLN A O   1 
ATOM   307 C CB  . GLN A 1 41  ? -28.035 -14.754 8.438  1.00 25.17 ? 41  GLN A CB  1 
ATOM   308 C CG  . GLN A 1 41  ? -29.073 -13.786 9.084  1.00 27.98 ? 41  GLN A CG  1 
ATOM   309 C CD  . GLN A 1 41  ? -29.399 -12.524 8.255  1.00 31.25 ? 41  GLN A CD  1 
ATOM   310 O OE1 . GLN A 1 41  ? -29.602 -11.439 8.813  1.00 31.69 ? 41  GLN A OE1 1 
ATOM   311 N NE2 . GLN A 1 41  ? -29.475 -12.669 6.933  1.00 28.18 ? 41  GLN A NE2 1 
ATOM   312 N N   . SER A 1 42  ? -25.111 -16.159 9.349  1.00 21.70 ? 42  SER A N   1 
ATOM   313 C CA  . SER A 1 42  ? -24.458 -17.445 9.183  1.00 23.17 ? 42  SER A CA  1 
ATOM   314 C C   . SER A 1 42  ? -25.102 -18.415 10.161 1.00 21.30 ? 42  SER A C   1 
ATOM   315 O O   . SER A 1 42  ? -25.919 -18.026 10.995 1.00 23.04 ? 42  SER A O   1 
ATOM   316 C CB  . SER A 1 42  ? -22.940 -17.352 9.384  1.00 23.63 ? 42  SER A CB  1 
ATOM   317 O OG  . SER A 1 42  ? -22.583 -17.233 10.748 1.00 28.61 ? 42  SER A OG  1 
ATOM   318 N N   . THR A 1 43  ? -24.738 -19.691 10.042 1.00 23.23 ? 43  THR A N   1 
ATOM   319 C CA  . THR A 1 43  ? -25.366 -20.725 10.866 1.00 23.40 ? 43  THR A CA  1 
ATOM   320 C C   . THR A 1 43  ? -25.269 -20.391 12.345 1.00 27.70 ? 43  THR A C   1 
ATOM   321 O O   . THR A 1 43  ? -26.257 -20.462 13.086 1.00 27.52 ? 43  THR A O   1 
ATOM   322 C CB  . THR A 1 43  ? -24.701 -22.074 10.598 1.00 24.77 ? 43  THR A CB  1 
ATOM   323 O OG1 . THR A 1 43  ? -24.828 -22.395 9.207  1.00 25.74 ? 43  THR A OG1 1 
ATOM   324 C CG2 . THR A 1 43  ? -25.351 -23.166 11.433 1.00 25.98 ? 43  THR A CG2 1 
ATOM   325 N N   . PHE A 1 44  ? -24.074 -20.006 12.787 1.00 23.00 ? 44  PHE A N   1 
ATOM   326 C CA  . PHE A 1 44  ? -23.768 -19.861 14.200 1.00 21.94 ? 44  PHE A CA  1 
ATOM   327 C C   . PHE A 1 44  ? -23.674 -18.403 14.636 1.00 29.26 ? 44  PHE A C   1 
ATOM   328 O O   . PHE A 1 44  ? -23.114 -18.106 15.695 1.00 25.35 ? 44  PHE A O   1 
ATOM   329 C CB  . PHE A 1 44  ? -22.485 -20.628 14.510 1.00 23.57 ? 44  PHE A CB  1 
ATOM   330 C CG  . PHE A 1 44  ? -22.636 -22.122 14.353 1.00 22.34 ? 44  PHE A CG  1 
ATOM   331 C CD1 . PHE A 1 44  ? -23.419 -22.836 15.241 1.00 22.30 ? 44  PHE A CD1 1 
ATOM   332 C CD2 . PHE A 1 44  ? -22.013 -22.809 13.325 1.00 22.09 ? 44  PHE A CD2 1 
ATOM   333 C CE1 . PHE A 1 44  ? -23.579 -24.209 15.113 1.00 23.60 ? 44  PHE A CE1 1 
ATOM   334 C CE2 . PHE A 1 44  ? -22.174 -24.194 13.197 1.00 20.64 ? 44  PHE A CE2 1 
ATOM   335 C CZ  . PHE A 1 44  ? -22.960 -24.884 14.094 1.00 22.34 ? 44  PHE A CZ  1 
ATOM   336 N N   . GLY A 1 45  ? -24.226 -17.490 13.858 1.00 26.42 ? 45  GLY A N   1 
ATOM   337 C CA  . GLY A 1 45  ? -24.321 -16.119 14.310 1.00 26.62 ? 45  GLY A CA  1 
ATOM   338 C C   . GLY A 1 45  ? -24.458 -15.177 13.146 1.00 25.44 ? 45  GLY A C   1 
ATOM   339 O O   . GLY A 1 45  ? -24.178 -15.519 11.998 1.00 24.30 ? 45  GLY A O   1 
ATOM   340 N N   . ASP A 1 46  ? -24.925 -13.977 13.459 1.00 24.54 ? 46  ASP A N   1 
ATOM   341 C CA  . ASP A 1 46  ? -25.021 -12.907 12.486 1.00 23.24 ? 46  ASP A CA  1 
ATOM   342 C C   . ASP A 1 46  ? -23.773 -12.034 12.550 1.00 22.86 ? 46  ASP A C   1 
ATOM   343 O O   . ASP A 1 46  ? -22.923 -12.165 13.430 1.00 27.12 ? 46  ASP A O   1 
ATOM   344 C CB  . ASP A 1 46  ? -26.274 -12.070 12.737 1.00 24.81 ? 46  ASP A CB  1 
ATOM   345 C CG  . ASP A 1 46  ? -27.561 -12.851 12.494 1.00 34.60 ? 46  ASP A CG  1 
ATOM   346 O OD1 . ASP A 1 46  ? -27.490 -14.039 12.091 1.00 36.41 ? 46  ASP A OD1 1 
ATOM   347 O OD2 . ASP A 1 46  ? -28.654 -12.277 12.700 1.00 40.47 ? 46  ASP A OD2 1 
ATOM   348 N N   . PHE A 1 47  ? -23.681 -11.117 11.601 1.00 20.37 ? 47  PHE A N   1 
ATOM   349 C CA  . PHE A 1 47  ? -22.527 -10.239 11.476 1.00 18.95 ? 47  PHE A CA  1 
ATOM   350 C C   . PHE A 1 47  ? -22.972 -9.049  10.648 1.00 18.27 ? 47  PHE A C   1 
ATOM   351 O O   . PHE A 1 47  ? -24.059 -9.046  10.068 1.00 22.37 ? 47  PHE A O   1 
ATOM   352 C CB  . PHE A 1 47  ? -21.350 -10.975 10.832 1.00 20.09 ? 47  PHE A CB  1 
ATOM   353 C CG  . PHE A 1 47  ? -21.681 -11.567 9.494  1.00 20.13 ? 47  PHE A CG  1 
ATOM   354 C CD1 . PHE A 1 47  ? -22.291 -12.812 9.406  1.00 20.53 ? 47  PHE A CD1 1 
ATOM   355 C CD2 . PHE A 1 47  ? -21.411 -10.875 8.328  1.00 19.92 ? 47  PHE A CD2 1 
ATOM   356 C CE1 . PHE A 1 47  ? -22.613 -13.357 8.181  1.00 18.03 ? 47  PHE A CE1 1 
ATOM   357 C CE2 . PHE A 1 47  ? -21.729 -11.407 7.100  1.00 20.51 ? 47  PHE A CE2 1 
ATOM   358 C CZ  . PHE A 1 47  ? -22.341 -12.659 7.024  1.00 19.85 ? 47  PHE A CZ  1 
ATOM   359 N N   . ILE A 1 48  ? -22.130 -8.030  10.596 1.00 20.79 ? 48  ILE A N   1 
ATOM   360 C CA  . ILE A 1 48  ? -22.420 -6.853  9.795  1.00 18.51 ? 48  ILE A CA  1 
ATOM   361 C C   . ILE A 1 48  ? -21.441 -6.811  8.637  1.00 18.45 ? 48  ILE A C   1 
ATOM   362 O O   . ILE A 1 48  ? -20.229 -6.949  8.835  1.00 19.01 ? 48  ILE A O   1 
ATOM   363 C CB  . ILE A 1 48  ? -22.342 -5.565  10.626 1.00 18.36 ? 48  ILE A CB  1 
ATOM   364 C CG1 . ILE A 1 48  ? -23.411 -5.589  11.711 1.00 20.11 ? 48  ILE A CG1 1 
ATOM   365 C CG2 . ILE A 1 48  ? -22.551 -4.366  9.723  1.00 19.87 ? 48  ILE A CG2 1 
ATOM   366 C CD1 . ILE A 1 48  ? -23.185 -4.563  12.801 1.00 27.56 ? 48  ILE A CD1 1 
ATOM   367 N N   . LYS A 1 49  ? -21.971 -6.621  7.435  1.00 17.04 ? 49  LYS A N   1 
ATOM   368 C CA  . LYS A 1 49  ? -21.175 -6.399  6.239  1.00 17.56 ? 49  LYS A CA  1 
ATOM   369 C C   . LYS A 1 49  ? -21.161 -4.893  6.014  1.00 20.17 ? 49  LYS A C   1 
ATOM   370 O O   . LYS A 1 49  ? -22.165 -4.305  5.603  1.00 21.62 ? 49  LYS A O   1 
ATOM   371 C CB  . LYS A 1 49  ? -21.790 -7.138  5.061  1.00 21.50 ? 49  LYS A CB  1 
ATOM   372 C CG  . LYS A 1 49  ? -20.980 -7.192  3.798  1.00 30.65 ? 49  LYS A CG  1 
ATOM   373 C CD  . LYS A 1 49  ? -21.739 -8.072  2.796  1.00 40.35 ? 49  LYS A CD  1 
ATOM   374 C CE  . LYS A 1 49  ? -22.443 -9.233  3.528  1.00 28.16 ? 49  LYS A CE  1 
ATOM   375 N NZ  . LYS A 1 49  ? -23.380 -10.041 2.681  1.00 40.10 ? 49  LYS A NZ  1 
ATOM   376 N N   . PHE A 1 50  ? -20.034 -4.266  6.310  1.00 18.65 ? 50  PHE A N   1 
ATOM   377 C CA  . PHE A 1 50  ? -19.893 -2.840  6.057  1.00 17.07 ? 50  PHE A CA  1 
ATOM   378 C C   . PHE A 1 50  ? -19.565 -2.633  4.591  1.00 20.69 ? 50  PHE A C   1 
ATOM   379 O O   . PHE A 1 50  ? -18.825 -3.415  3.994  1.00 19.80 ? 50  PHE A O   1 
ATOM   380 C CB  . PHE A 1 50  ? -18.803 -2.244  6.944  1.00 15.00 ? 50  PHE A CB  1 
ATOM   381 C CG  . PHE A 1 50  ? -19.108 -2.326  8.407  1.00 14.90 ? 50  PHE A CG  1 
ATOM   382 C CD1 . PHE A 1 50  ? -19.834 -1.324  9.027  1.00 18.90 ? 50  PHE A CD1 1 
ATOM   383 C CD2 . PHE A 1 50  ? -18.638 -3.380  9.169  1.00 17.34 ? 50  PHE A CD2 1 
ATOM   384 C CE1 . PHE A 1 50  ? -20.104 -1.384  10.394 1.00 18.55 ? 50  PHE A CE1 1 
ATOM   385 C CE2 . PHE A 1 50  ? -18.905 -3.449  10.525 1.00 18.75 ? 50  PHE A CE2 1 
ATOM   386 C CZ  . PHE A 1 50  ? -19.637 -2.445  11.139 1.00 19.19 ? 50  PHE A CZ  1 
ATOM   387 N N   . GLU A 1 51  ? -20.144 -1.596  4.000  1.00 18.98 ? 51  GLU A N   1 
ATOM   388 C CA  . GLU A 1 51  ? -20.018 -1.360  2.574  1.00 19.61 ? 51  GLU A CA  1 
ATOM   389 C C   . GLU A 1 51  ? -19.327 -0.026  2.347  1.00 18.60 ? 51  GLU A C   1 
ATOM   390 O O   . GLU A 1 51  ? -19.500 0.915   3.118  1.00 21.36 ? 51  GLU A O   1 
ATOM   391 C CB  . GLU A 1 51  ? -21.383 -1.362  1.887  1.00 20.96 ? 51  GLU A CB  1 
ATOM   392 C CG  . GLU A 1 51  ? -22.071 -2.717  1.915  1.00 29.22 ? 51  GLU A CG  1 
ATOM   393 C CD  . GLU A 1 51  ? -23.545 -2.623  1.564  1.00 38.30 ? 51  GLU A CD  1 
ATOM   394 O OE1 . GLU A 1 51  ? -24.210 -1.671  2.031  1.00 39.59 ? 51  GLU A OE1 1 
ATOM   395 O OE2 . GLU A 1 51  ? -24.033 -3.497  0.819  1.00 47.85 ? 51  GLU A OE2 1 
ATOM   396 N N   . GLY A 1 52  ? -18.546 0.043   1.279  1.00 18.61 ? 52  GLY A N   1 
ATOM   397 C CA  . GLY A 1 52  ? -17.843 1.263   0.937  1.00 20.99 ? 52  GLY A CA  1 
ATOM   398 C C   . GLY A 1 52  ? -16.596 0.939   0.155  1.00 20.77 ? 52  GLY A C   1 
ATOM   399 O O   . GLY A 1 52  ? -16.661 0.172   -0.809 1.00 19.87 ? 52  GLY A O   1 
ATOM   400 N N   . GLU A 1 53  ? -15.458 1.499   0.570  1.00 18.08 ? 53  GLU A N   1 
ATOM   401 C CA  . GLU A 1 53  ? -14.162 1.253   -0.059 1.00 19.73 ? 53  GLU A CA  1 
ATOM   402 C C   . GLU A 1 53  ? -13.155 0.996   1.048  1.00 20.86 ? 53  GLU A C   1 
ATOM   403 O O   . GLU A 1 53  ? -13.002 1.825   1.951  1.00 19.43 ? 53  GLU A O   1 
ATOM   404 C CB  . GLU A 1 53  ? -13.715 2.434   -0.933 1.00 26.63 ? 53  GLU A CB  1 
ATOM   405 C CG  . GLU A 1 53  ? -14.601 2.715   -2.143 1.00 28.91 ? 53  GLU A CG  1 
ATOM   406 C CD  . GLU A 1 53  ? -15.532 3.907   -1.933 1.00 36.77 ? 53  GLU A CD  1 
ATOM   407 O OE1 . GLU A 1 53  ? -16.728 3.791   -2.275 1.00 45.04 ? 53  GLU A OE1 1 
ATOM   408 O OE2 . GLU A 1 53  ? -15.074 4.953   -1.424 1.00 42.38 ? 53  GLU A OE2 1 
ATOM   409 N N   . PHE A 1 54  ? -12.483 -0.152  0.997  1.00 17.51 ? 54  PHE A N   1 
ATOM   410 C CA  . PHE A 1 54  ? -11.571 -0.540  2.062  1.00 18.55 ? 54  PHE A CA  1 
ATOM   411 C C   . PHE A 1 54  ? -10.234 -0.965  1.475  1.00 21.43 ? 54  PHE A C   1 
ATOM   412 O O   . PHE A 1 54  ? -10.183 -1.584  0.409  1.00 18.25 ? 54  PHE A O   1 
ATOM   413 C CB  . PHE A 1 54  ? -12.177 -1.677  2.905  1.00 16.19 ? 54  PHE A CB  1 
ATOM   414 C CG  . PHE A 1 54  ? -13.533 -1.336  3.444  1.00 17.13 ? 54  PHE A CG  1 
ATOM   415 C CD1 . PHE A 1 54  ? -13.658 -0.536  4.571  1.00 18.01 ? 54  PHE A CD1 1 
ATOM   416 C CD2 . PHE A 1 54  ? -14.679 -1.761  2.795  1.00 17.64 ? 54  PHE A CD2 1 
ATOM   417 C CE1 . PHE A 1 54  ? -14.907 -0.193  5.064  1.00 18.85 ? 54  PHE A CE1 1 
ATOM   418 C CE2 . PHE A 1 54  ? -15.929 -1.412  3.274  1.00 18.33 ? 54  PHE A CE2 1 
ATOM   419 C CZ  . PHE A 1 54  ? -16.042 -0.630  4.417  1.00 20.83 ? 54  PHE A CZ  1 
ATOM   420 N N   . GLU A 1 55  ? -9.153  -0.607  2.169  1.00 18.75 ? 55  GLU A N   1 
ATOM   421 C CA  . GLU A 1 55  ? -7.815  -1.087  1.849  1.00 20.50 ? 55  GLU A CA  1 
ATOM   422 C C   . GLU A 1 55  ? -7.215  -1.672  3.122  1.00 25.32 ? 55  GLU A C   1 
ATOM   423 O O   . GLU A 1 55  ? -7.312  -1.070  4.196  1.00 23.14 ? 55  GLU A O   1 
ATOM   424 C CB  . GLU A 1 55  ? -6.939  0.042   1.269  1.00 22.19 ? 55  GLU A CB  1 
ATOM   425 C CG  . GLU A 1 55  ? -5.463  -0.316  1.056  1.00 30.51 ? 55  GLU A CG  1 
ATOM   426 C CD  . GLU A 1 55  ? -4.626  0.874   0.570  1.00 45.39 ? 55  GLU A CD  1 
ATOM   427 O OE1 . GLU A 1 55  ? -4.905  1.385   -0.537 1.00 50.15 ? 55  GLU A OE1 1 
ATOM   428 O OE2 . GLU A 1 55  ? -3.699  1.306   1.296  1.00 41.37 ? 55  GLU A OE2 1 
ATOM   429 N N   . GLY A 1 56  ? -6.633  -2.851  3.019  1.00 18.97 ? 56  GLY A N   1 
ATOM   430 C CA  . GLY A 1 56  ? -6.056  -3.516  4.175  1.00 20.48 ? 56  GLY A CA  1 
ATOM   431 C C   . GLY A 1 56  ? -4.618  -3.886  3.892  1.00 20.78 ? 56  GLY A C   1 
ATOM   432 O O   . GLY A 1 56  ? -4.270  -4.227  2.761  1.00 20.38 ? 56  GLY A O   1 
ATOM   433 N N   . VAL A 1 57  ? -3.783  -3.800  4.921  1.00 17.11 ? 57  VAL A N   1 
ATOM   434 C CA  . VAL A 1 57  ? -2.404  -4.270  4.823  1.00 15.98 ? 57  VAL A CA  1 
ATOM   435 C C   . VAL A 1 57  ? -2.172  -5.330  5.883  1.00 17.14 ? 57  VAL A C   1 
ATOM   436 O O   . VAL A 1 57  ? -2.409  -5.095  7.072  1.00 20.88 ? 57  VAL A O   1 
ATOM   437 C CB  . VAL A 1 57  ? -1.382  -3.135  4.980  1.00 20.40 ? 57  VAL A CB  1 
ATOM   438 C CG1 . VAL A 1 57  ? 0.012   -3.644  4.608  1.00 20.91 ? 57  VAL A CG1 1 
ATOM   439 C CG2 . VAL A 1 57  ? -1.773  -1.934  4.126  1.00 24.15 ? 57  VAL A CG2 1 
ATOM   440 N N   . ASN A 1 58  ? -1.690  -6.484  5.449  1.00 18.62 ? 58  ASN A N   1 
ATOM   441 C CA  . ASN A 1 58  ? -1.186  -7.505  6.353  1.00 19.43 ? 58  ASN A CA  1 
ATOM   442 C C   . ASN A 1 58  ? 0.159   -7.028  6.868  1.00 21.25 ? 58  ASN A C   1 
ATOM   443 O O   . ASN A 1 58  ? 1.115   -6.910  6.094  1.00 20.77 ? 58  ASN A O   1 
ATOM   444 C CB  . ASN A 1 58  ? -1.065  -8.828  5.604  1.00 19.54 ? 58  ASN A CB  1 
ATOM   445 C CG  . ASN A 1 58  ? -0.643  -9.978  6.488  1.00 17.75 ? 58  ASN A CG  1 
ATOM   446 O OD1 . ASN A 1 58  ? 0.281   -9.876  7.289  1.00 20.45 ? 58  ASN A OD1 1 
ATOM   447 N ND2 . ASN A 1 58  ? -1.320  -11.095 6.329  1.00 20.64 ? 58  ASN A ND2 1 
ATOM   448 N N   . ILE A 1 59  ? 0.228   -6.700  8.157  1.00 18.29 ? 59  ILE A N   1 
ATOM   449 C CA  . ILE A 1 59  ? 1.427   -6.060  8.681  1.00 19.77 ? 59  ILE A CA  1 
ATOM   450 C C   . ILE A 1 59  ? 2.628   -7.001  8.603  1.00 23.52 ? 59  ILE A C   1 
ATOM   451 O O   . ILE A 1 59  ? 3.748   -6.572  8.297  1.00 27.65 ? 59  ILE A O   1 
ATOM   452 C CB  . ILE A 1 59  ? 1.165   -5.550  10.108 1.00 21.85 ? 59  ILE A CB  1 
ATOM   453 C CG1 . ILE A 1 59  ? 0.223   -4.346  10.034 1.00 18.72 ? 59  ILE A CG1 1 
ATOM   454 C CG2 . ILE A 1 59  ? 2.465   -5.187  10.804 1.00 29.03 ? 59  ILE A CG2 1 
ATOM   455 C CD1 . ILE A 1 59  ? -0.219  -3.816  11.386 1.00 23.12 ? 59  ILE A CD1 1 
ATOM   456 N N   . ALA A 1 60  ? 2.418   -8.302  8.839  1.00 20.25 ? 60  ALA A N   1 
ATOM   457 C CA  . ALA A 1 60  ? 3.562   -9.216  8.833  1.00 22.10 ? 60  ALA A CA  1 
ATOM   458 C C   . ALA A 1 60  ? 4.102   -9.446  7.424  1.00 24.54 ? 60  ALA A C   1 
ATOM   459 O O   . ALA A 1 60  ? 5.319   -9.574  7.237  1.00 27.63 ? 60  ALA A O   1 
ATOM   460 C CB  . ALA A 1 60  ? 3.183   -10.547 9.485  1.00 24.59 ? 60  ALA A CB  1 
ATOM   461 N N   . THR A 1 61  ? 3.224   -9.522  6.420  1.00 23.50 ? 61  THR A N   1 
ATOM   462 C CA  . THR A 1 61  ? 3.656   -9.830  5.056  1.00 23.12 ? 61  THR A CA  1 
ATOM   463 C C   . THR A 1 61  ? 3.804   -8.610  4.158  1.00 27.80 ? 61  THR A C   1 
ATOM   464 O O   . THR A 1 61  ? 4.472   -8.705  3.123  1.00 23.85 ? 61  THR A O   1 
ATOM   465 C CB  . THR A 1 61  ? 2.679   -10.798 4.375  1.00 24.12 ? 61  THR A CB  1 
ATOM   466 O OG1 . THR A 1 61  ? 1.444   -10.126 4.090  1.00 24.18 ? 61  THR A OG1 1 
ATOM   467 C CG2 . THR A 1 61  ? 2.406   -12.007 5.257  1.00 25.83 ? 61  THR A CG2 1 
ATOM   468 N N   . GLY A 1 62  ? 3.200   -7.478  4.507  1.00 25.18 ? 62  GLY A N   1 
ATOM   469 C CA  . GLY A 1 62  ? 3.220   -6.330  3.631  1.00 23.10 ? 62  GLY A CA  1 
ATOM   470 C C   . GLY A 1 62  ? 2.218   -6.362  2.501  1.00 22.91 ? 62  GLY A C   1 
ATOM   471 O O   . GLY A 1 62  ? 2.114   -5.375  1.769  1.00 23.70 ? 62  GLY A O   1 
ATOM   472 N N   . GLU A 1 63  ? 1.471   -7.452  2.340  1.00 19.88 ? 63  GLU A N   1 
ATOM   473 C CA  . GLU A 1 63  ? 0.522   -7.571  1.236  1.00 17.53 ? 63  GLU A CA  1 
ATOM   474 C C   . GLU A 1 63  ? -0.626  -6.586  1.390  1.00 19.67 ? 63  GLU A C   1 
ATOM   475 O O   . GLU A 1 63  ? -1.146  -6.386  2.485  1.00 18.69 ? 63  GLU A O   1 
ATOM   476 C CB  . GLU A 1 63  ? -0.054  -8.981  1.175  1.00 17.59 ? 63  GLU A CB  1 
ATOM   477 C CG  . GLU A 1 63  ? 0.896   -10.068 0.720  1.00 24.86 ? 63  GLU A CG  1 
ATOM   478 C CD  . GLU A 1 63  ? 0.257   -11.434 0.860  1.00 30.83 ? 63  GLU A CD  1 
ATOM   479 O OE1 . GLU A 1 63  ? 0.237   -11.964 1.998  1.00 31.14 ? 63  GLU A OE1 1 
ATOM   480 O OE2 . GLU A 1 63  ? -0.267  -11.955 -0.152 1.00 32.06 ? 63  GLU A OE2 1 
ATOM   481 N N   . VAL A 1 64  ? -1.064  -6.016  0.275  1.00 19.70 ? 64  VAL A N   1 
ATOM   482 C CA  . VAL A 1 64  ? -2.114  -5.002  0.275  1.00 18.68 ? 64  VAL A CA  1 
ATOM   483 C C   . VAL A 1 64  ? -3.348  -5.592  -0.380 1.00 20.15 ? 64  VAL A C   1 
ATOM   484 O O   . VAL A 1 64  ? -3.245  -6.319  -1.371 1.00 18.66 ? 64  VAL A O   1 
ATOM   485 C CB  . VAL A 1 64  ? -1.677  -3.719  -0.452 1.00 19.67 ? 64  VAL A CB  1 
ATOM   486 C CG1 . VAL A 1 64  ? -2.753  -2.650  -0.310 1.00 22.06 ? 64  VAL A CG1 1 
ATOM   487 C CG2 . VAL A 1 64  ? -0.355  -3.214  0.111  1.00 24.36 ? 64  VAL A CG2 1 
ATOM   488 N N   . PHE A 1 65  ? -4.517  -5.270  0.171  1.00 20.47 ? 65  PHE A N   1 
ATOM   489 C CA  . PHE A 1 65  ? -5.787  -5.803  -0.297 1.00 19.42 ? 65  PHE A CA  1 
ATOM   490 C C   . PHE A 1 65  ? -6.790  -4.669  -0.426 1.00 18.88 ? 65  PHE A C   1 
ATOM   491 O O   . PHE A 1 65  ? -6.731  -3.685  0.311  1.00 21.21 ? 65  PHE A O   1 
ATOM   492 C CB  . PHE A 1 65  ? -6.340  -6.868  0.659  1.00 19.26 ? 65  PHE A CB  1 
ATOM   493 C CG  . PHE A 1 65  ? -5.441  -8.059  0.826  1.00 19.71 ? 65  PHE A CG  1 
ATOM   494 C CD1 . PHE A 1 65  ? -4.376  -8.019  1.724  1.00 17.38 ? 65  PHE A CD1 1 
ATOM   495 C CD2 . PHE A 1 65  ? -5.659  -9.215  0.089  1.00 21.81 ? 65  PHE A CD2 1 
ATOM   496 C CE1 . PHE A 1 65  ? -3.544  -9.105  1.880  1.00 18.93 ? 65  PHE A CE1 1 
ATOM   497 C CE2 . PHE A 1 65  ? -4.832  -10.311 0.242  1.00 20.49 ? 65  PHE A CE2 1 
ATOM   498 C CZ  . PHE A 1 65  ? -3.765  -10.252 1.127  1.00 19.22 ? 65  PHE A CZ  1 
ATOM   499 N N   . ARG A 1 66  ? -7.714  -4.815  -1.370 1.00 18.17 ? 66  ARG A N   1 
ATOM   500 C CA  . ARG A 1 66  ? -8.786  -3.849  -1.540 1.00 19.80 ? 66  ARG A CA  1 
ATOM   501 C C   . ARG A 1 66  ? -10.112 -4.580  -1.615 1.00 17.96 ? 66  ARG A C   1 
ATOM   502 O O   . ARG A 1 66  ? -10.195 -5.707  -2.116 1.00 16.64 ? 66  ARG A O   1 
ATOM   503 C CB  . ARG A 1 66  ? -8.601  -3.005  -2.809 1.00 23.10 ? 66  ARG A CB  1 
ATOM   504 C CG  . ARG A 1 66  ? -9.624  -1.900  -2.934 1.00 35.84 ? 66  ARG A CG  1 
ATOM   505 C CD  . ARG A 1 66  ? -9.944  -1.505  -4.382 1.00 40.68 ? 66  ARG A CD  1 
ATOM   506 N NE  . ARG A 1 66  ? -11.151 -2.159  -4.887 1.00 37.57 ? 66  ARG A NE  1 
ATOM   507 C CZ  . ARG A 1 66  ? -12.389 -1.696  -4.731 1.00 43.99 ? 66  ARG A CZ  1 
ATOM   508 N NH1 . ARG A 1 66  ? -12.637 -0.573  -4.068 1.00 42.14 ? 66  ARG A NH1 1 
ATOM   509 N NH2 . ARG A 1 66  ? -13.409 -2.386  -5.240 1.00 46.63 ? 66  ARG A NH2 1 
ATOM   510 N N   . SER A 1 67  ? -11.158 -3.925  -1.123 1.00 15.79 ? 67  SER A N   1 
ATOM   511 C CA  . SER A 1 67  ? -12.477 -4.527  -1.189 1.00 15.74 ? 67  SER A CA  1 
ATOM   512 C C   . SER A 1 67  ? -13.546 -3.449  -1.102 1.00 16.47 ? 67  SER A C   1 
ATOM   513 O O   . SER A 1 67  ? -13.281 -2.319  -0.684 1.00 16.74 ? 67  SER A O   1 
ATOM   514 C CB  . SER A 1 67  ? -12.659 -5.548  -0.067 1.00 15.77 ? 67  SER A CB  1 
ATOM   515 O OG  . SER A 1 67  ? -13.872 -6.231  -0.256 1.00 17.41 ? 67  SER A OG  1 
ATOM   516 N N   . GLY A 1 68  ? -14.762 -3.823  -1.503 1.00 17.30 ? 68  GLY A N   1 
ATOM   517 C CA  . GLY A 1 68  ? -15.943 -3.011  -1.299 1.00 16.99 ? 68  GLY A CA  1 
ATOM   518 C C   . GLY A 1 68  ? -16.738 -3.377  -0.070 1.00 19.39 ? 68  GLY A C   1 
ATOM   519 O O   . GLY A 1 68  ? -17.770 -2.750  0.202  1.00 18.64 ? 68  GLY A O   1 
ATOM   520 N N   . ALA A 1 69  ? -16.283 -4.369  0.690  1.00 19.43 ? 69  ALA A N   1 
ATOM   521 C CA  . ALA A 1 69  ? -16.989 -4.858  1.863  1.00 20.17 ? 69  ALA A CA  1 
ATOM   522 C C   . ALA A 1 69  ? -15.971 -5.147  2.957  1.00 19.91 ? 69  ALA A C   1 
ATOM   523 O O   . ALA A 1 69  ? -14.812 -5.461  2.669  1.00 20.37 ? 69  ALA A O   1 
ATOM   524 C CB  . ALA A 1 69  ? -17.804 -6.127  1.542  1.00 20.67 ? 69  ALA A CB  1 
ATOM   525 N N   . LEU A 1 70  ? -16.413 -5.022  4.212  1.00 15.75 ? 70  LEU A N   1 
ATOM   526 C CA  . LEU A 1 70  ? -15.575 -5.225  5.386  1.00 15.54 ? 70  LEU A CA  1 
ATOM   527 C C   . LEU A 1 70  ? -16.370 -6.009  6.411  1.00 15.70 ? 70  LEU A C   1 
ATOM   528 O O   . LEU A 1 70  ? -17.522 -5.669  6.679  1.00 18.12 ? 70  LEU A O   1 
ATOM   529 C CB  . LEU A 1 70  ? -15.147 -3.886  6.000  1.00 13.70 ? 70  LEU A CB  1 
ATOM   530 C CG  . LEU A 1 70  ? -14.411 -3.981  7.327  1.00 15.38 ? 70  LEU A CG  1 
ATOM   531 C CD1 . LEU A 1 70  ? -13.039 -4.547  7.104  1.00 17.23 ? 70  LEU A CD1 1 
ATOM   532 C CD2 . LEU A 1 70  ? -14.329 -2.592  7.982  1.00 17.61 ? 70  LEU A CD2 1 
ATOM   533 N N   . ILE A 1 71  ? -15.777 -7.064  6.965  1.00 16.13 ? 71  ILE A N   1 
ATOM   534 C CA  . ILE A 1 71  ? -16.366 -7.759  8.104  1.00 14.97 ? 71  ILE A CA  1 
ATOM   535 C C   . ILE A 1 71  ? -15.315 -7.804  9.196  1.00 16.66 ? 71  ILE A C   1 
ATOM   536 O O   . ILE A 1 71  ? -14.177 -8.232  8.950  1.00 18.52 ? 71  ILE A O   1 
ATOM   537 C CB  . ILE A 1 71  ? -16.843 -9.183  7.757  1.00 17.22 ? 71  ILE A CB  1 
ATOM   538 C CG1 . ILE A 1 71  ? -17.850 -9.171  6.610  1.00 19.77 ? 71  ILE A CG1 1 
ATOM   539 C CG2 . ILE A 1 71  ? -17.478 -9.827  8.987  1.00 21.87 ? 71  ILE A CG2 1 
ATOM   540 C CD1 . ILE A 1 71  ? -18.286 -10.563 6.189  1.00 27.16 ? 71  ILE A CD1 1 
ATOM   541 N N   . LEU A 1 72  ? -15.690 -7.352  10.393 1.00 18.36 ? 72  LEU A N   1 
ATOM   542 C CA  . LEU A 1 72  ? -14.789 -7.268  11.530 1.00 17.99 ? 72  LEU A CA  1 
ATOM   543 C C   . LEU A 1 72  ? -15.125 -8.308  12.590 1.00 21.89 ? 72  LEU A C   1 
ATOM   544 O O   . LEU A 1 72  ? -16.259 -8.795  12.669 1.00 22.68 ? 72  LEU A O   1 
ATOM   545 C CB  . LEU A 1 72  ? -14.853 -5.866  12.154 1.00 18.01 ? 72  LEU A CB  1 
ATOM   546 C CG  . LEU A 1 72  ? -14.244 -4.735  11.313 1.00 18.61 ? 72  LEU A CG  1 
ATOM   547 C CD1 . LEU A 1 72  ? -14.621 -3.374  11.860 1.00 21.82 ? 72  LEU A CD1 1 
ATOM   548 C CD2 . LEU A 1 72  ? -12.722 -4.897  11.228 1.00 17.66 ? 72  LEU A CD2 1 
ATOM   549 N N   . PRO A 1 73  ? -14.156 -8.670  13.434 1.00 20.94 ? 73  PRO A N   1 
ATOM   550 C CA  . PRO A 1 73  ? -14.476 -9.486  14.610 1.00 24.23 ? 73  PRO A CA  1 
ATOM   551 C C   . PRO A 1 73  ? -15.515 -8.789  15.476 1.00 24.37 ? 73  PRO A C   1 
ATOM   552 O O   . PRO A 1 73  ? -15.639 -7.561  15.466 1.00 23.40 ? 73  PRO A O   1 
ATOM   553 C CB  . PRO A 1 73  ? -13.132 -9.612  15.339 1.00 26.62 ? 73  PRO A CB  1 
ATOM   554 C CG  . PRO A 1 73  ? -12.085 -9.234  14.333 1.00 20.72 ? 73  PRO A CG  1 
ATOM   555 C CD  . PRO A 1 73  ? -12.734 -8.276  13.388 1.00 22.79 ? 73  PRO A CD  1 
ATOM   556 N N   . LYS A 1 74  ? -16.250 -9.592  16.248 1.00 25.27 ? 74  LYS A N   1 
ATOM   557 C CA  . LYS A 1 74  ? -17.447 -9.101  16.926 1.00 25.17 ? 74  LYS A CA  1 
ATOM   558 C C   . LYS A 1 74  ? -17.175 -7.854  17.758 1.00 24.12 ? 74  LYS A C   1 
ATOM   559 O O   . LYS A 1 74  ? -17.956 -6.890  17.715 1.00 22.86 ? 74  LYS A O   1 
ATOM   560 C CB  . LYS A 1 74  ? -18.040 -10.201 17.808 1.00 27.67 ? 74  LYS A CB  1 
ATOM   561 C CG  . LYS A 1 74  ? -18.237 -11.528 17.119 1.00 35.54 ? 74  LYS A CG  1 
ATOM   562 C CD  . LYS A 1 74  ? -19.305 -11.464 16.035 1.00 38.37 ? 74  LYS A CD  1 
ATOM   563 C CE  . LYS A 1 74  ? -20.584 -10.818 16.552 1.00 35.18 ? 74  LYS A CE  1 
ATOM   564 N NZ  . LYS A 1 74  ? -21.581 -10.635 15.457 1.00 34.85 ? 74  LYS A NZ  1 
ATOM   565 N N   . VAL A 1 75  ? -16.084 -7.847  18.532 1.00 23.77 ? 75  VAL A N   1 
ATOM   566 C CA  . VAL A 1 75  ? -15.851 -6.715  19.427 1.00 26.70 ? 75  VAL A CA  1 
ATOM   567 C C   . VAL A 1 75  ? -15.618 -5.435  18.629 1.00 26.60 ? 75  VAL A C   1 
ATOM   568 O O   . VAL A 1 75  ? -16.064 -4.353  19.026 1.00 26.94 ? 75  VAL A O   1 
ATOM   569 C CB  . VAL A 1 75  ? -14.691 -7.006  20.402 1.00 24.78 ? 75  VAL A CB  1 
ATOM   570 C CG1 . VAL A 1 75  ? -13.346 -7.114  19.679 1.00 27.60 ? 75  VAL A CG1 1 
ATOM   571 C CG2 . VAL A 1 75  ? -14.633 -5.929  21.469 1.00 28.48 ? 75  VAL A CG2 1 
ATOM   572 N N   . LEU A 1 76  ? -14.937 -5.532  17.486 1.00 22.13 ? 76  LEU A N   1 
ATOM   573 C CA  . LEU A 1 76  ? -14.660 -4.333  16.699 1.00 22.94 ? 76  LEU A CA  1 
ATOM   574 C C   . LEU A 1 76  ? -15.841 -3.959  15.821 1.00 23.59 ? 76  LEU A C   1 
ATOM   575 O O   . LEU A 1 76  ? -16.049 -2.779  15.518 1.00 20.26 ? 76  LEU A O   1 
ATOM   576 C CB  . LEU A 1 76  ? -13.418 -4.557  15.835 1.00 21.55 ? 76  LEU A CB  1 
ATOM   577 C CG  . LEU A 1 76  ? -12.214 -5.066  16.625 1.00 20.50 ? 76  LEU A CG  1 
ATOM   578 C CD1 . LEU A 1 76  ? -10.999 -5.188  15.707 1.00 24.13 ? 76  LEU A CD1 1 
ATOM   579 C CD2 . LEU A 1 76  ? -11.925 -4.132  17.779 1.00 25.72 ? 76  LEU A CD2 1 
ATOM   580 N N   . GLU A 1 77  ? -16.600 -4.960  15.385 1.00 21.84 ? 77  GLU A N   1 
ATOM   581 C CA  . GLU A 1 77  ? -17.816 -4.711  14.620 1.00 18.20 ? 77  GLU A CA  1 
ATOM   582 C C   . GLU A 1 77  ? -18.787 -3.835  15.403 1.00 20.28 ? 77  GLU A C   1 
ATOM   583 O O   . GLU A 1 77  ? -19.392 -2.914  14.846 1.00 23.35 ? 77  GLU A O   1 
ATOM   584 C CB  . GLU A 1 77  ? -18.440 -6.058  14.250 1.00 20.58 ? 77  GLU A CB  1 
ATOM   585 C CG  . GLU A 1 77  ? -19.881 -6.033  13.812 1.00 25.01 ? 77  GLU A CG  1 
ATOM   586 C CD  . GLU A 1 77  ? -20.433 -7.439  13.677 1.00 26.57 ? 77  GLU A CD  1 
ATOM   587 O OE1 . GLU A 1 77  ? -20.099 -8.137  12.684 1.00 23.96 ? 77  GLU A OE1 1 
ATOM   588 O OE2 . GLU A 1 77  ? -21.175 -7.860  14.593 1.00 30.74 ? 77  GLU A OE2 1 
ATOM   589 N N   . SER A 1 78  ? -18.938 -4.101  16.698 1.00 20.82 ? 78  SER A N   1 
ATOM   590 C CA  . SER A 1 78  ? -19.842 -3.306  17.522 1.00 23.11 ? 78  SER A CA  1 
ATOM   591 C C   . SER A 1 78  ? -19.333 -1.883  17.677 1.00 23.88 ? 78  SER A C   1 
ATOM   592 O O   . SER A 1 78  ? -20.122 -0.932  17.711 1.00 26.50 ? 78  SER A O   1 
ATOM   593 C CB  . SER A 1 78  ? -20.012 -3.958  18.892 1.00 27.38 ? 78  SER A CB  1 
ATOM   594 O OG  . SER A 1 78  ? -20.613 -5.234  18.763 1.00 40.28 ? 78  SER A OG  1 
ATOM   595 N N   . LEU A 1 79  ? -18.014 -1.718  17.781 1.00 22.70 ? 79  LEU A N   1 
ATOM   596 C CA  . LEU A 1 79  ? -17.445 -0.382  17.880 1.00 22.36 ? 79  LEU A CA  1 
ATOM   597 C C   . LEU A 1 79  ? -17.699 0.407   16.606 1.00 19.80 ? 79  LEU A C   1 
ATOM   598 O O   . LEU A 1 79  ? -18.145 1.555   16.660 1.00 22.83 ? 79  LEU A O   1 
ATOM   599 C CB  . LEU A 1 79  ? -15.952 -0.481  18.162 1.00 26.56 ? 79  LEU A CB  1 
ATOM   600 C CG  . LEU A 1 79  ? -15.285 0.665   18.889 1.00 30.43 ? 79  LEU A CG  1 
ATOM   601 C CD1 . LEU A 1 79  ? -15.816 0.751   20.308 1.00 29.98 ? 79  LEU A CD1 1 
ATOM   602 C CD2 . LEU A 1 79  ? -13.807 0.381   18.888 1.00 32.57 ? 79  LEU A CD2 1 
ATOM   603 N N   . LEU A 1 80  ? -17.444 -0.202  15.443 1.00 20.64 ? 80  LEU A N   1 
ATOM   604 C CA  . LEU A 1 80  ? -17.671 0.523   14.195 1.00 19.65 ? 80  LEU A CA  1 
ATOM   605 C C   . LEU A 1 80  ? -19.153 0.779   13.955 1.00 22.36 ? 80  LEU A C   1 
ATOM   606 O O   . LEU A 1 80  ? -19.513 1.825   13.398 1.00 24.48 ? 80  LEU A O   1 
ATOM   607 C CB  . LEU A 1 80  ? -17.067 -0.225  13.001 1.00 19.52 ? 80  LEU A CB  1 
ATOM   608 C CG  . LEU A 1 80  ? -17.188 0.499   11.650 1.00 20.27 ? 80  LEU A CG  1 
ATOM   609 C CD1 . LEU A 1 80  ? -16.578 1.906   11.669 1.00 17.76 ? 80  LEU A CD1 1 
ATOM   610 C CD2 . LEU A 1 80  ? -16.551 -0.320  10.546 1.00 18.63 ? 80  LEU A CD2 1 
ATOM   611 N N   . ALA A 1 81  ? -20.026 -0.141  14.380 1.00 21.55 ? 81  ALA A N   1 
ATOM   612 C CA  . ALA A 1 81  ? -21.458 0.059   14.162 1.00 23.08 ? 81  ALA A CA  1 
ATOM   613 C C   . ALA A 1 81  ? -21.972 1.272   14.926 1.00 26.80 ? 81  ALA A C   1 
ATOM   614 O O   . ALA A 1 81  ? -22.818 2.016   14.424 1.00 26.22 ? 81  ALA A O   1 
ATOM   615 C CB  . ALA A 1 81  ? -22.243 -1.188  14.559 1.00 21.48 ? 81  ALA A CB  1 
ATOM   616 N N   . GLY A 1 82  ? -21.489 1.481   16.146 1.00 24.67 ? 82  GLY A N   1 
ATOM   617 C CA  . GLY A 1 82  ? -21.827 2.707   16.843 1.00 28.48 ? 82  GLY A CA  1 
ATOM   618 C C   . GLY A 1 82  ? -21.335 3.930   16.097 1.00 31.69 ? 82  GLY A C   1 
ATOM   619 O O   . GLY A 1 82  ? -22.070 4.903   15.913 1.00 33.83 ? 82  GLY A O   1 
ATOM   620 N N   . ALA A 1 83  ? -20.089 3.878   15.628 1.00 30.01 ? 83  ALA A N   1 
ATOM   621 C CA  . ALA A 1 83  ? -19.471 5.045   15.017 1.00 31.47 ? 83  ALA A CA  1 
ATOM   622 C C   . ALA A 1 83  ? -20.156 5.455   13.725 1.00 30.44 ? 83  ALA A C   1 
ATOM   623 O O   . ALA A 1 83  ? -20.048 6.617   13.324 1.00 36.37 ? 83  ALA A O   1 
ATOM   624 C CB  . ALA A 1 83  ? -17.984 4.779   14.768 1.00 27.17 ? 83  ALA A CB  1 
ATOM   625 N N   . VAL A 1 84  ? -20.861 4.539   13.070 1.00 29.59 ? 84  VAL A N   1 
ATOM   626 C CA  . VAL A 1 84  ? -21.536 4.832   11.815 1.00 28.84 ? 84  VAL A CA  1 
ATOM   627 C C   . VAL A 1 84  ? -23.040 4.969   12.008 1.00 35.85 ? 84  VAL A C   1 
ATOM   628 O O   . VAL A 1 84  ? -23.789 5.025   11.024 1.00 36.21 ? 84  VAL A O   1 
ATOM   629 C CB  . VAL A 1 84  ? -21.211 3.779   10.745 1.00 32.25 ? 84  VAL A CB  1 
ATOM   630 C CG1 . VAL A 1 84  ? -19.690 3.598   10.637 1.00 30.74 ? 84  VAL A CG1 1 
ATOM   631 C CG2 . VAL A 1 84  ? -21.892 2.457   11.054 1.00 29.41 ? 84  VAL A CG2 1 
ATOM   632 N N   . ASP A 1 85  ? -23.502 5.038   13.256 1.00 32.36 ? 85  ASP A N   1 
ATOM   633 C CA  . ASP A 1 85  ? -24.930 5.137   13.507 1.00 35.77 ? 85  ASP A CA  1 
ATOM   634 C C   . ASP A 1 85  ? -25.489 6.516   13.202 1.00 35.67 ? 85  ASP A C   1 
ATOM   635 O O   . ASP A 1 85  ? -26.688 6.629   12.925 1.00 34.54 ? 85  ASP A O   1 
ATOM   636 C CB  . ASP A 1 85  ? -25.236 4.778   14.960 1.00 36.40 ? 85  ASP A CB  1 
ATOM   637 C CG  . ASP A 1 85  ? -26.532 4.026   15.099 1.00 44.37 ? 85  ASP A CG  1 
ATOM   638 O OD1 . ASP A 1 85  ? -26.656 2.959   14.450 1.00 45.59 ? 85  ASP A OD1 1 
ATOM   639 O OD2 . ASP A 1 85  ? -27.421 4.496   15.849 1.00 43.89 ? 85  ASP A OD2 1 
ATOM   640 N N   . GLY A 1 86  ? -24.660 7.559   13.234 1.00 30.15 ? 86  GLY A N   1 
ATOM   641 C CA  . GLY A 1 86  ? -25.180 8.901   13.057 1.00 31.05 ? 86  GLY A CA  1 
ATOM   642 C C   . GLY A 1 86  ? -24.567 9.719   11.933 1.00 30.24 ? 86  GLY A C   1 
ATOM   643 O O   . GLY A 1 86  ? -24.926 10.889  11.763 1.00 29.66 ? 86  GLY A O   1 
ATOM   644 N N   . GLU A 1 87  ? -23.653 9.134   11.157 1.00 23.99 ? 87  GLU A N   1 
ATOM   645 C CA  . GLU A 1 87  ? -23.024 9.825   10.036 1.00 23.32 ? 87  GLU A CA  1 
ATOM   646 C C   . GLU A 1 87  ? -23.210 9.007   8.769  1.00 24.88 ? 87  GLU A C   1 
ATOM   647 O O   . GLU A 1 87  ? -22.989 7.792   8.780  1.00 23.05 ? 87  GLU A O   1 
ATOM   648 C CB  . GLU A 1 87  ? -21.524 10.072  10.274 1.00 25.54 ? 87  GLU A CB  1 
ATOM   649 C CG  . GLU A 1 87  ? -21.190 10.907  11.512 1.00 26.72 ? 87  GLU A CG  1 
ATOM   650 C CD  . GLU A 1 87  ? -21.289 12.411  11.282 1.00 35.07 ? 87  GLU A CD  1 
ATOM   651 O OE1 . GLU A 1 87  ? -21.733 12.834  10.190 1.00 29.50 ? 87  GLU A OE1 1 
ATOM   652 O OE2 . GLU A 1 87  ? -20.919 13.176  12.206 1.00 32.89 ? 87  GLU A OE2 1 
ATOM   653 N N   . ASN A 1 88  ? -23.586 9.686   7.675  1.00 23.11 ? 88  ASN A N   1 
ATOM   654 C CA  . ASN A 1 88  ? -23.892 9.006   6.416  1.00 21.11 ? 88  ASN A CA  1 
ATOM   655 C C   . ASN A 1 88  ? -22.639 8.412   5.776  1.00 22.44 ? 88  ASN A C   1 
ATOM   656 O O   . ASN A 1 88  ? -22.722 7.387   5.082  1.00 23.42 ? 88  ASN A O   1 
ATOM   657 C CB  . ASN A 1 88  ? -24.580 9.984   5.456  1.00 21.55 ? 88  ASN A CB  1 
ATOM   658 C CG  . ASN A 1 88  ? -25.579 9.311   4.534  1.00 27.85 ? 88  ASN A CG  1 
ATOM   659 O OD1 . ASN A 1 88  ? -26.059 8.207   4.806  1.00 26.75 ? 88  ASN A OD1 1 
ATOM   660 N ND2 . ASN A 1 88  ? -25.916 9.984   3.441  1.00 25.99 ? 88  ASN A ND2 1 
ATOM   661 N N   . THR A 1 89  ? -21.479 9.027   6.004  1.00 22.16 ? 89  THR A N   1 
ATOM   662 C CA  . THR A 1 89  ? -20.195 8.538   5.515  1.00 22.52 ? 89  THR A CA  1 
ATOM   663 C C   . THR A 1 89  ? -19.193 8.667   6.647  1.00 21.81 ? 89  THR A C   1 
ATOM   664 O O   . THR A 1 89  ? -19.199 9.670   7.363  1.00 21.75 ? 89  THR A O   1 
ATOM   665 C CB  . THR A 1 89  ? -19.692 9.341   4.296  1.00 30.01 ? 89  THR A CB  1 
ATOM   666 O OG1 . THR A 1 89  ? -20.757 9.504   3.350  1.00 36.15 ? 89  THR A OG1 1 
ATOM   667 C CG2 . THR A 1 89  ? -18.541 8.630   3.614  1.00 23.19 ? 89  THR A CG2 1 
ATOM   668 N N   . VAL A 1 90  ? -18.345 7.653   6.820  1.00 20.21 ? 90  VAL A N   1 
ATOM   669 C CA  . VAL A 1 90  ? -17.274 7.698   7.811  1.00 20.69 ? 90  VAL A CA  1 
ATOM   670 C C   . VAL A 1 90  ? -15.981 7.225   7.157  1.00 24.47 ? 90  VAL A C   1 
ATOM   671 O O   . VAL A 1 90  ? -15.961 6.163   6.526  1.00 23.66 ? 90  VAL A O   1 
ATOM   672 C CB  . VAL A 1 90  ? -17.602 6.838   9.045  1.00 23.43 ? 90  VAL A CB  1 
ATOM   673 C CG1 . VAL A 1 90  ? -16.389 6.762   9.967  1.00 25.43 ? 90  VAL A CG1 1 
ATOM   674 C CG2 . VAL A 1 90  ? -18.797 7.411   9.778  1.00 25.72 ? 90  VAL A CG2 1 
ATOM   675 N N   . ASP A 1 91  ? -14.913 8.018   7.284  1.00 19.91 ? 91  ASP A N   1 
ATOM   676 C CA  . ASP A 1 91  ? -13.567 7.605   6.891  1.00 18.58 ? 91  ASP A CA  1 
ATOM   677 C C   . ASP A 1 91  ? -12.763 7.263   8.138  1.00 22.60 ? 91  ASP A C   1 
ATOM   678 O O   . ASP A 1 91  ? -12.827 7.980   9.138  1.00 22.66 ? 91  ASP A O   1 
ATOM   679 C CB  . ASP A 1 91  ? -12.830 8.705   6.123  1.00 21.33 ? 91  ASP A CB  1 
ATOM   680 C CG  . ASP A 1 91  ? -13.500 9.069   4.821  1.00 26.22 ? 91  ASP A CG  1 
ATOM   681 O OD1 . ASP A 1 91  ? -14.384 8.313   4.370  1.00 27.72 ? 91  ASP A OD1 1 
ATOM   682 O OD2 . ASP A 1 91  ? -13.149 10.125  4.245  1.00 34.39 ? 91  ASP A OD2 1 
ATOM   683 N N   . PHE A 1 92  ? -11.982 6.187   8.078  1.00 18.26 ? 92  PHE A N   1 
ATOM   684 C CA  . PHE A 1 92  ? -11.204 5.801   9.245  1.00 19.78 ? 92  PHE A CA  1 
ATOM   685 C C   . PHE A 1 92  ? -9.894  5.168   8.801  1.00 18.63 ? 92  PHE A C   1 
ATOM   686 O O   . PHE A 1 92  ? -9.719  4.801   7.638  1.00 17.74 ? 92  PHE A O   1 
ATOM   687 C CB  . PHE A 1 92  ? -12.000 4.854   10.156 1.00 19.69 ? 92  PHE A CB  1 
ATOM   688 C CG  . PHE A 1 92  ? -12.265 3.495   9.550  1.00 20.58 ? 92  PHE A CG  1 
ATOM   689 C CD1 . PHE A 1 92  ? -11.262 2.535   9.488  1.00 20.14 ? 92  PHE A CD1 1 
ATOM   690 C CD2 . PHE A 1 92  ? -13.526 3.167   9.073  1.00 21.03 ? 92  PHE A CD2 1 
ATOM   691 C CE1 . PHE A 1 92  ? -11.502 1.288   8.943  1.00 18.51 ? 92  PHE A CE1 1 
ATOM   692 C CE2 . PHE A 1 92  ? -13.770 1.907   8.532  1.00 22.46 ? 92  PHE A CE2 1 
ATOM   693 C CZ  . PHE A 1 92  ? -12.749 0.978   8.459  1.00 18.94 ? 92  PHE A CZ  1 
ATOM   694 N N   . ALA A 1 93  ? -8.973  5.041   9.753  1.00 17.48 ? 93  ALA A N   1 
ATOM   695 C CA  . ALA A 1 93  ? -7.696  4.377   9.504  1.00 20.08 ? 93  ALA A CA  1 
ATOM   696 C C   . ALA A 1 93  ? -7.231  3.792   10.825 1.00 18.34 ? 93  ALA A C   1 
ATOM   697 O O   . ALA A 1 93  ? -6.880  4.542   11.738 1.00 19.51 ? 93  ALA A O   1 
ATOM   698 C CB  . ALA A 1 93  ? -6.665  5.347   8.944  1.00 25.80 ? 93  ALA A CB  1 
ATOM   699 N N   . VAL A 1 94  ? -7.223  2.462   10.936 1.00 17.05 ? 94  VAL A N   1 
ATOM   700 C CA  . VAL A 1 94  ? -6.966  1.818   12.215 1.00 16.65 ? 94  VAL A CA  1 
ATOM   701 C C   . VAL A 1 94  ? -5.969  0.685   12.051 1.00 20.86 ? 94  VAL A C   1 
ATOM   702 O O   . VAL A 1 94  ? -5.741  0.161   10.959 1.00 19.62 ? 94  VAL A O   1 
ATOM   703 C CB  . VAL A 1 94  ? -8.250  1.267   12.875 1.00 20.03 ? 94  VAL A CB  1 
ATOM   704 C CG1 . VAL A 1 94  ? -9.231  2.396   13.162 1.00 21.23 ? 94  VAL A CG1 1 
ATOM   705 C CG2 . VAL A 1 94  ? -8.884  0.190   11.998 1.00 16.79 ? 94  VAL A CG2 1 
ATOM   706 N N   . GLU A 1 95  ? -5.381  0.308   13.172 1.00 16.95 ? 95  GLU A N   1 
ATOM   707 C CA  . GLU A 1 95  ? -4.507  -0.848  13.258 1.00 19.17 ? 95  GLU A CA  1 
ATOM   708 C C   . GLU A 1 95  ? -5.187  -1.842  14.184 1.00 19.90 ? 95  GLU A C   1 
ATOM   709 O O   . GLU A 1 95  ? -5.709  -1.450  15.231 1.00 22.30 ? 95  GLU A O   1 
ATOM   710 C CB  . GLU A 1 95  ? -3.139  -0.408  13.790 1.00 25.38 ? 95  GLU A CB  1 
ATOM   711 C CG  . GLU A 1 95  ? -2.026  -1.429  13.761 1.00 34.17 ? 95  GLU A CG  1 
ATOM   712 C CD  . GLU A 1 95  ? -0.717  -0.832  14.286 1.00 40.91 ? 95  GLU A CD  1 
ATOM   713 O OE1 . GLU A 1 95  ? 0.298   -0.866  13.557 1.00 46.51 ? 95  GLU A OE1 1 
ATOM   714 O OE2 . GLU A 1 95  ? -0.713  -0.303  15.422 1.00 41.19 ? 95  GLU A OE2 1 
ATOM   715 N N   . ILE A 1 96  ? -5.221  -3.114  13.791 1.00 19.20 ? 96  ILE A N   1 
ATOM   716 C CA  . ILE A 1 96  ? -5.879  -4.158  14.569 1.00 19.31 ? 96  ILE A CA  1 
ATOM   717 C C   . ILE A 1 96  ? -4.801  -5.061  15.152 1.00 19.07 ? 96  ILE A C   1 
ATOM   718 O O   . ILE A 1 96  ? -3.862  -5.448  14.451 1.00 18.26 ? 96  ILE A O   1 
ATOM   719 C CB  . ILE A 1 96  ? -6.886  -4.946  13.709 1.00 21.12 ? 96  ILE A CB  1 
ATOM   720 C CG1 . ILE A 1 96  ? -8.024  -4.012  13.282 1.00 19.82 ? 96  ILE A CG1 1 
ATOM   721 C CG2 . ILE A 1 96  ? -7.454  -6.165  14.458 1.00 20.19 ? 96  ILE A CG2 1 
ATOM   722 C CD1 . ILE A 1 96  ? -9.028  -4.639  12.403 1.00 22.84 ? 96  ILE A CD1 1 
ATOM   723 N N   . TRP A 1 97  ? -4.933  -5.378  16.437 1.00 20.67 ? 97  TRP A N   1 
ATOM   724 C CA  . TRP A 1 97  ? -3.985  -6.182  17.185 1.00 19.42 ? 97  TRP A CA  1 
ATOM   725 C C   . TRP A 1 97  ? -4.694  -7.384  17.792 1.00 17.75 ? 97  TRP A C   1 
ATOM   726 O O   . TRP A 1 97  ? -5.905  -7.362  18.036 1.00 18.25 ? 97  TRP A O   1 
ATOM   727 C CB  . TRP A 1 97  ? -3.349  -5.372  18.325 1.00 23.10 ? 97  TRP A CB  1 
ATOM   728 C CG  . TRP A 1 97  ? -2.431  -4.310  17.864 1.00 27.36 ? 97  TRP A CG  1 
ATOM   729 C CD1 . TRP A 1 97  ? -2.757  -3.211  17.122 1.00 29.17 ? 97  TRP A CD1 1 
ATOM   730 C CD2 . TRP A 1 97  ? -1.023  -4.225  18.113 1.00 29.48 ? 97  TRP A CD2 1 
ATOM   731 N NE1 . TRP A 1 97  ? -1.633  -2.453  16.884 1.00 32.09 ? 97  TRP A NE1 1 
ATOM   732 C CE2 . TRP A 1 97  ? -0.557  -3.052  17.485 1.00 31.77 ? 97  TRP A CE2 1 
ATOM   733 C CE3 . TRP A 1 97  ? -0.109  -5.033  18.800 1.00 25.60 ? 97  TRP A CE3 1 
ATOM   734 C CZ2 . TRP A 1 97  ? 0.778   -2.664  17.528 1.00 31.15 ? 97  TRP A CZ2 1 
ATOM   735 C CZ3 . TRP A 1 97  ? 1.219   -4.646  18.846 1.00 27.17 ? 97  TRP A CZ3 1 
ATOM   736 C CH2 . TRP A 1 97  ? 1.650   -3.470  18.213 1.00 31.45 ? 97  TRP A CH2 1 
ATOM   737 N N   . ALA A 1 98  ? -3.917  -8.422  18.064 1.00 18.52 ? 98  ALA A N   1 
ATOM   738 C CA  . ALA A 1 98  ? -4.350  -9.534  18.900 1.00 18.49 ? 98  ALA A CA  1 
ATOM   739 C C   . ALA A 1 98  ? -3.630  -9.415  20.234 1.00 19.10 ? 98  ALA A C   1 
ATOM   740 O O   . ALA A 1 98  ? -2.419  -9.175  20.265 1.00 21.89 ? 98  ALA A O   1 
ATOM   741 C CB  . ALA A 1 98  ? -4.039  -10.887 18.253 1.00 20.25 ? 98  ALA A CB  1 
ATOM   742 N N   . LYS A 1 99  ? -4.375  -9.575  21.326 1.00 20.31 ? 99  LYS A N   1 
ATOM   743 C CA  . LYS A 1 99  ? -3.885  -9.534  22.691 1.00 19.23 ? 99  LYS A CA  1 
ATOM   744 C C   . LYS A 1 99  ? -4.137  -10.872 23.368 1.00 21.57 ? 99  LYS A C   1 
ATOM   745 O O   . LYS A 1 99  ? -5.229  -11.426 23.231 1.00 20.12 ? 99  LYS A O   1 
ATOM   746 C CB  . LYS A 1 99  ? -4.589  -8.433  23.498 1.00 22.58 ? 99  LYS A CB  1 
ATOM   747 C CG  . LYS A 1 99  ? -4.528  -7.051  22.858 1.00 30.20 ? 99  LYS A CG  1 
ATOM   748 C CD  . LYS A 1 99  ? -5.317  -6.045  23.680 1.00 33.30 ? 99  LYS A CD  1 
ATOM   749 C CE  . LYS A 1 99  ? -6.789  -6.421  23.756 1.00 34.26 ? 99  LYS A CE  1 
ATOM   750 N NZ  . LYS A 1 99  ? -7.610  -5.307  24.326 1.00 39.76 ? 99  LYS A NZ  1 
ATOM   751 N N   . PRO A 1 100 ? -3.159  -11.418 24.087 1.00 18.67 ? 100 PRO A N   1 
ATOM   752 C CA  . PRO A 1 100 ? -3.379  -12.708 24.752 1.00 21.43 ? 100 PRO A CA  1 
ATOM   753 C C   . PRO A 1 100 ? -4.487  -12.586 25.786 1.00 24.96 ? 100 PRO A C   1 
ATOM   754 O O   . PRO A 1 100 ? -4.697  -11.527 26.382 1.00 27.02 ? 100 PRO A O   1 
ATOM   755 C CB  . PRO A 1 100 ? -2.021  -13.022 25.394 1.00 23.17 ? 100 PRO A CB  1 
ATOM   756 C CG  . PRO A 1 100 ? -1.274  -11.693 25.414 1.00 27.36 ? 100 PRO A CG  1 
ATOM   757 C CD  . PRO A 1 100 ? -1.774  -10.939 24.228 1.00 22.79 ? 100 PRO A CD  1 
ATOM   758 N N   . SER A 1 101 ? -5.222  -13.680 25.989 1.00 24.91 ? 101 SER A N   1 
ATOM   759 C CA  . SER A 1 101 ? -6.446  -13.589 26.767 1.00 29.79 ? 101 SER A CA  1 
ATOM   760 C C   . SER A 1 101 ? -6.672  -14.868 27.552 1.00 34.85 ? 101 SER A C   1 
ATOM   761 O O   . SER A 1 101 ? -5.865  -15.804 27.519 1.00 30.18 ? 101 SER A O   1 
ATOM   762 C CB  . SER A 1 101 ? -7.651  -13.327 25.871 1.00 31.39 ? 101 SER A CB  1 
ATOM   763 O OG  . SER A 1 101 ? -8.038  -14.540 25.253 1.00 36.90 ? 101 SER A OG  1 
ATOM   764 N N   . GLU A 1 102 ? -7.800  -14.886 28.265 1.00 39.17 ? 102 GLU A N   1 
ATOM   765 C CA  . GLU A 1 102 ? -8.259  -16.079 28.961 1.00 40.81 ? 102 GLU A CA  1 
ATOM   766 C C   . GLU A 1 102 ? -8.494  -17.203 27.963 1.00 42.81 ? 102 GLU A C   1 
ATOM   767 O O   . GLU A 1 102 ? -8.894  -16.976 26.815 1.00 35.72 ? 102 GLU A O   1 
ATOM   768 C CB  . GLU A 1 102 ? -9.547  -15.784 29.735 1.00 36.39 ? 102 GLU A CB  1 
ATOM   769 N N   . LYS A 1 103 ? -8.229  -18.425 28.403 1.00 40.09 ? 103 LYS A N   1 
ATOM   770 C CA  . LYS A 1 103 ? -8.424  -19.567 27.528 1.00 43.83 ? 103 LYS A CA  1 
ATOM   771 C C   . LYS A 1 103 ? -9.852  -19.587 26.998 1.00 44.94 ? 103 LYS A C   1 
ATOM   772 O O   . LYS A 1 103 ? -10.819 -19.492 27.758 1.00 49.98 ? 103 LYS A O   1 
ATOM   773 C CB  . LYS A 1 103 ? -8.099  -20.860 28.276 1.00 49.03 ? 103 LYS A CB  1 
ATOM   774 C CG  . LYS A 1 103 ? -6.825  -20.748 29.100 1.00 57.22 ? 103 LYS A CG  1 
ATOM   775 C CD  . LYS A 1 103 ? -6.096  -22.073 29.224 1.00 55.86 ? 103 LYS A CD  1 
ATOM   776 C CE  . LYS A 1 103 ? -4.851  -21.924 30.098 1.00 58.12 ? 103 LYS A CE  1 
ATOM   777 N NZ  . LYS A 1 103 ? -4.296  -23.250 30.497 1.00 63.79 ? 103 LYS A NZ  1 
ATOM   778 N N   . GLY A 1 104 ? -9.969  -19.657 25.688 1.00 40.44 ? 104 GLY A N   1 
ATOM   779 C CA  . GLY A 1 104 ? -11.255 -19.746 25.022 1.00 29.49 ? 104 GLY A CA  1 
ATOM   780 C C   . GLY A 1 104 ? -11.056 -20.570 23.783 1.00 27.72 ? 104 GLY A C   1 
ATOM   781 O O   . GLY A 1 104 ? -10.268 -21.514 23.768 1.00 31.21 ? 104 GLY A O   1 
ATOM   782 N N   . ASN A 1 105 ? -11.774 -20.214 22.724 1.00 25.62 ? 105 ASN A N   1 
ATOM   783 C CA  . ASN A 1 105 ? -11.529 -20.896 21.466 1.00 22.35 ? 105 ASN A CA  1 
ATOM   784 C C   . ASN A 1 105 ? -10.156 -20.562 20.920 1.00 24.34 ? 105 ASN A C   1 
ATOM   785 O O   . ASN A 1 105 ? -9.535  -21.396 20.252 1.00 25.64 ? 105 ASN A O   1 
ATOM   786 C CB  . ASN A 1 105 ? -12.595 -20.527 20.442 1.00 25.46 ? 105 ASN A CB  1 
ATOM   787 C CG  . ASN A 1 105 ? -13.982 -20.852 20.913 1.00 28.12 ? 105 ASN A CG  1 
ATOM   788 O OD1 . ASN A 1 105 ? -14.204 -21.887 21.542 1.00 27.33 ? 105 ASN A OD1 1 
ATOM   789 N ND2 . ASN A 1 105 ? -14.935 -19.965 20.621 1.00 22.98 ? 105 ASN A ND2 1 
ATOM   790 N N   . THR A 1 106 ? -9.669  -19.351 21.178 1.00 20.38 ? 106 THR A N   1 
ATOM   791 C CA  . THR A 1 106 ? -8.456  -18.877 20.530 1.00 22.55 ? 106 THR A CA  1 
ATOM   792 C C   . THR A 1 106 ? -7.379  -18.407 21.485 1.00 21.18 ? 106 THR A C   1 
ATOM   793 O O   . THR A 1 106 ? -6.213  -18.349 21.077 1.00 23.14 ? 106 THR A O   1 
ATOM   794 C CB  . THR A 1 106 ? -8.775  -17.717 19.577 1.00 23.57 ? 106 THR A CB  1 
ATOM   795 O OG1 . THR A 1 106 ? -9.182  -16.590 20.352 1.00 24.05 ? 106 THR A OG1 1 
ATOM   796 C CG2 . THR A 1 106 ? -9.888  -18.096 18.625 1.00 24.90 ? 106 THR A CG2 1 
ATOM   797 N N   . GLY A 1 107 ? -7.713  -18.055 22.721 1.00 20.46 ? 107 GLY A N   1 
ATOM   798 C CA  . GLY A 1 107 ? -6.700  -17.534 23.611 1.00 20.77 ? 107 GLY A CA  1 
ATOM   799 C C   . GLY A 1 107 ? -6.244  -16.140 23.270 1.00 22.48 ? 107 GLY A C   1 
ATOM   800 O O   . GLY A 1 107 ? -5.189  -15.718 23.740 1.00 21.38 ? 107 GLY A O   1 
ATOM   801 N N   . TYR A 1 108 ? -6.992  -15.415 22.444 1.00 21.00 ? 108 TYR A N   1 
ATOM   802 C CA  . TYR A 1 108 ? -6.659  -14.013 22.210 1.00 18.68 ? 108 TYR A CA  1 
ATOM   803 C C   . TYR A 1 108 ? -7.925  -13.211 21.975 1.00 22.41 ? 108 TYR A C   1 
ATOM   804 O O   . TYR A 1 108 ? -8.951  -13.747 21.560 1.00 18.25 ? 108 TYR A O   1 
ATOM   805 C CB  . TYR A 1 108 ? -5.688  -13.824 21.039 1.00 18.20 ? 108 TYR A CB  1 
ATOM   806 C CG  . TYR A 1 108 ? -6.142  -14.295 19.678 1.00 20.81 ? 108 TYR A CG  1 
ATOM   807 C CD1 . TYR A 1 108 ? -6.924  -13.485 18.856 1.00 20.77 ? 108 TYR A CD1 1 
ATOM   808 C CD2 . TYR A 1 108 ? -5.726  -15.527 19.179 1.00 19.88 ? 108 TYR A CD2 1 
ATOM   809 C CE1 . TYR A 1 108 ? -7.313  -13.902 17.601 1.00 22.04 ? 108 TYR A CE1 1 
ATOM   810 C CE2 . TYR A 1 108 ? -6.107  -15.946 17.924 1.00 20.49 ? 108 TYR A CE2 1 
ATOM   811 C CZ  . TYR A 1 108 ? -6.905  -15.134 17.140 1.00 22.34 ? 108 TYR A CZ  1 
ATOM   812 O OH  . TYR A 1 108 ? -7.283  -15.558 15.882 1.00 24.11 ? 108 TYR A OH  1 
ATOM   813 N N   . GLU A 1 109 ? -7.842  -11.918 22.277 1.00 21.28 ? 109 GLU A N   1 
ATOM   814 C CA  . GLU A 1 109 ? -8.891  -10.960 21.965 1.00 19.94 ? 109 GLU A CA  1 
ATOM   815 C C   . GLU A 1 109 ? -8.333  -9.901  21.028 1.00 20.41 ? 109 GLU A C   1 
ATOM   816 O O   . GLU A 1 109 ? -7.120  -9.753  20.887 1.00 21.00 ? 109 GLU A O   1 
ATOM   817 C CB  . GLU A 1 109 ? -9.442  -10.299 23.231 1.00 25.35 ? 109 GLU A CB  1 
ATOM   818 C CG  . GLU A 1 109 ? -9.959  -11.279 24.262 1.00 29.02 ? 109 GLU A CG  1 
ATOM   819 C CD  . GLU A 1 109 ? -11.302 -11.861 23.899 1.00 34.50 ? 109 GLU A CD  1 
ATOM   820 O OE1 . GLU A 1 109 ? -12.015 -11.240 23.082 1.00 39.24 ? 109 GLU A OE1 1 
ATOM   821 O OE2 . GLU A 1 109 ? -11.653 -12.937 24.439 1.00 37.91 ? 109 GLU A OE2 1 
ATOM   822 N N   . TYR A 1 110 ? -9.231  -9.175  20.378 1.00 20.55 ? 110 TYR A N   1 
ATOM   823 C CA  . TYR A 1 110 ? -8.841  -8.147  19.421 1.00 21.44 ? 110 TYR A CA  1 
ATOM   824 C C   . TYR A 1 110 ? -8.821  -6.767  20.060 1.00 25.39 ? 110 TYR A C   1 
ATOM   825 O O   . TYR A 1 110 ? -9.710  -6.418  20.836 1.00 26.66 ? 110 TYR A O   1 
ATOM   826 C CB  . TYR A 1 110 ? -9.796  -8.124  18.242 1.00 21.32 ? 110 TYR A CB  1 
ATOM   827 C CG  . TYR A 1 110 ? -9.773  -9.384  17.461 1.00 21.18 ? 110 TYR A CG  1 
ATOM   828 C CD1 . TYR A 1 110 ? -8.757  -9.644  16.563 1.00 20.29 ? 110 TYR A CD1 1 
ATOM   829 C CD2 . TYR A 1 110 ? -10.769 -10.333 17.621 1.00 24.01 ? 110 TYR A CD2 1 
ATOM   830 C CE1 . TYR A 1 110 ? -8.733  -10.824 15.839 1.00 23.46 ? 110 TYR A CE1 1 
ATOM   831 C CE2 . TYR A 1 110 ? -10.755 -11.499 16.901 1.00 27.19 ? 110 TYR A CE2 1 
ATOM   832 C CZ  . TYR A 1 110 ? -9.738  -11.743 16.009 1.00 23.61 ? 110 TYR A CZ  1 
ATOM   833 O OH  . TYR A 1 110 ? -9.733  -12.916 15.288 1.00 26.46 ? 110 TYR A OH  1 
ATOM   834 N N   . GLY A 1 111 ? -7.807  -5.984  19.703 1.00 24.46 ? 111 GLY A N   1 
ATOM   835 C CA  . GLY A 1 111 ? -7.785  -4.573  20.035 1.00 22.16 ? 111 GLY A CA  1 
ATOM   836 C C   . GLY A 1 111 ? -7.630  -3.764  18.764 1.00 21.29 ? 111 GLY A C   1 
ATOM   837 O O   . GLY A 1 111 ? -7.239  -4.277  17.717 1.00 20.39 ? 111 GLY A O   1 
ATOM   838 N N   . VAL A 1 112 ? -7.941  -2.475  18.867 1.00 22.99 ? 112 VAL A N   1 
ATOM   839 C CA  . VAL A 1 112 ? -7.894  -1.599  17.705 1.00 23.91 ? 112 VAL A CA  1 
ATOM   840 C C   . VAL A 1 112 ? -7.455  -0.220  18.161 1.00 26.43 ? 112 VAL A C   1 
ATOM   841 O O   . VAL A 1 112 ? -7.766  0.206   19.278 1.00 24.21 ? 112 VAL A O   1 
ATOM   842 C CB  . VAL A 1 112 ? -9.255  -1.561  16.982 1.00 23.63 ? 112 VAL A CB  1 
ATOM   843 C CG1 . VAL A 1 112 ? -10.337 -0.950  17.872 1.00 25.09 ? 112 VAL A CG1 1 
ATOM   844 C CG2 . VAL A 1 112 ? -9.151  -0.828  15.638 1.00 19.41 ? 112 VAL A CG2 1 
ATOM   845 N N   . LYS A 1 113 ? -6.703  0.464   17.309 1.00 24.33 ? 113 LYS A N   1 
ATOM   846 C CA  . LYS A 1 113 ? -6.266  1.813   17.640 1.00 23.98 ? 113 LYS A CA  1 
ATOM   847 C C   . LYS A 1 113 ? -6.140  2.603   16.348 1.00 23.29 ? 113 LYS A C   1 
ATOM   848 O O   . LYS A 1 113 ? -5.858  2.022   15.297 1.00 23.34 ? 113 LYS A O   1 
ATOM   849 C CB  . LYS A 1 113 ? -4.928  1.816   18.407 1.00 32.15 ? 113 LYS A CB  1 
ATOM   850 C CG  . LYS A 1 113 ? -3.722  1.316   17.619 1.00 33.89 ? 113 LYS A CG  1 
ATOM   851 C CD  . LYS A 1 113 ? -2.403  1.566   18.360 1.00 40.16 ? 113 LYS A CD  1 
ATOM   852 C CE  . LYS A 1 113 ? -1.907  0.308   19.071 1.00 45.54 ? 113 LYS A CE  1 
ATOM   853 N NZ  . LYS A 1 113 ? -0.545  0.498   19.657 1.00 48.49 ? 113 LYS A NZ  1 
ATOM   854 N N   . PRO A 1 114 ? -6.357  3.919   16.392 1.00 25.11 ? 114 PRO A N   1 
ATOM   855 C CA  . PRO A 1 114 ? -6.147  4.735   15.185 1.00 25.55 ? 114 PRO A CA  1 
ATOM   856 C C   . PRO A 1 114 ? -4.712  4.634   14.681 1.00 25.71 ? 114 PRO A C   1 
ATOM   857 O O   . PRO A 1 114 ? -3.761  4.537   15.462 1.00 26.51 ? 114 PRO A O   1 
ATOM   858 C CB  . PRO A 1 114 ? -6.463  6.163   15.657 1.00 25.57 ? 114 PRO A CB  1 
ATOM   859 C CG  . PRO A 1 114 ? -7.253  6.005   16.914 1.00 22.26 ? 114 PRO A CG  1 
ATOM   860 C CD  . PRO A 1 114 ? -6.753  4.727   17.551 1.00 26.87 ? 114 PRO A CD  1 
ATOM   861 N N   . LEU A 1 115 ? -4.561  4.668   13.353 1.00 22.96 ? 115 LEU A N   1 
ATOM   862 C CA  . LEU A 1 115 ? -3.217  4.653   12.788 1.00 28.59 ? 115 LEU A CA  1 
ATOM   863 C C   . LEU A 1 115 ? -2.454  5.916   13.154 1.00 30.78 ? 115 LEU A C   1 
ATOM   864 O O   . LEU A 1 115 ? -1.220  5.890   13.256 1.00 33.85 ? 115 LEU A O   1 
ATOM   865 C CB  . LEU A 1 115 ? -3.278  4.473   11.269 1.00 26.11 ? 115 LEU A CB  1 
ATOM   866 C CG  . LEU A 1 115 ? -3.407  2.991   10.907 1.00 27.94 ? 115 LEU A CG  1 
ATOM   867 C CD1 . LEU A 1 115 ? -3.545  2.794   9.416  1.00 32.43 ? 115 LEU A CD1 1 
ATOM   868 C CD2 . LEU A 1 115 ? -2.229  2.173   11.440 1.00 29.91 ? 115 LEU A CD2 1 
ATOM   869 N N   . ILE A 1 116 ? -3.171  7.020   13.384 1.00 26.50 ? 116 ILE A N   1 
ATOM   870 C CA  . ILE A 1 116 ? -2.520  8.277   13.749 1.00 32.81 ? 116 ILE A CA  1 
ATOM   871 C C   . ILE A 1 116 ? -2.121  8.333   15.214 1.00 38.62 ? 116 ILE A C   1 
ATOM   872 O O   . ILE A 1 116 ? -1.529  9.333   15.644 1.00 41.89 ? 116 ILE A O   1 
ATOM   873 C CB  . ILE A 1 116 ? -3.438  9.471   13.420 1.00 36.00 ? 116 ILE A CB  1 
ATOM   874 C CG1 . ILE A 1 116 ? -4.806  9.292   14.090 1.00 33.47 ? 116 ILE A CG1 1 
ATOM   875 C CG2 . ILE A 1 116 ? -3.573  9.630   11.911 1.00 35.78 ? 116 ILE A CG2 1 
ATOM   876 C CD1 . ILE A 1 116 ? -5.658  10.550  14.096 1.00 35.80 ? 116 ILE A CD1 1 
ATOM   877 N N   . GLU A 1 117 ? -2.422  7.294   15.996 1.00 36.69 ? 117 GLU A N   1 
ATOM   878 C CA  . GLU A 1 117 ? -2.075  7.277   17.416 1.00 40.67 ? 117 GLU A CA  1 
ATOM   879 C C   . GLU A 1 117 ? -0.583  7.022   17.612 1.00 42.62 ? 117 GLU A C   1 
ATOM   880 O O   . GLU A 1 117 ? 0.022   6.250   16.871 1.00 40.93 ? 117 GLU A O   1 
ATOM   881 C CB  . GLU A 1 117 ? -2.894  6.219   18.164 1.00 39.89 ? 117 GLU A CB  1 
ATOM   882 C CG  . GLU A 1 117 ? -2.515  6.072   19.640 1.00 43.35 ? 117 GLU A CG  1 
ATOM   883 C CD  . GLU A 1 117 ? -3.506  5.223   20.434 1.00 48.10 ? 117 GLU A CD  1 
ATOM   884 O OE1 . GLU A 1 117 ? -4.732  5.408   20.256 1.00 40.47 ? 117 GLU A OE1 1 
ATOM   885 O OE2 . GLU A 1 117 ? -3.057  4.374   21.238 1.00 50.54 ? 117 GLU A OE2 1 
HETATM 886 O O   . HOH B 2 .   ? -11.496 0.269   -2.347 1.00 40.63 ? 201 HOH A O   1 
HETATM 887 O O   . HOH B 2 .   ? -27.920 -16.373 12.166 1.00 30.63 ? 202 HOH A O   1 
HETATM 888 O O   . HOH B 2 .   ? -21.355 -19.192 11.358 1.00 30.09 ? 203 HOH A O   1 
HETATM 889 O O   . HOH B 2 .   ? -27.180 -23.006 8.754  1.00 36.29 ? 204 HOH A O   1 
HETATM 890 O O   . HOH B 2 .   ? -12.027 -3.492  -7.075 1.00 39.14 ? 205 HOH A O   1 
HETATM 891 O O   . HOH B 2 .   ? -1.671  -13.480 2.811  1.00 34.19 ? 206 HOH A O   1 
HETATM 892 O O   . HOH B 2 .   ? -4.608  -4.612  -8.308 1.00 26.63 ? 207 HOH A O   1 
HETATM 893 O O   . HOH B 2 .   ? -7.912  2.228   20.858 1.00 49.00 ? 208 HOH A O   1 
HETATM 894 O O   . HOH B 2 .   ? -12.130 -10.446 20.639 1.00 31.33 ? 209 HOH A O   1 
HETATM 895 O O   . HOH B 2 .   ? -28.839 6.325   14.716 1.00 31.27 ? 210 HOH A O   1 
HETATM 896 O O   . HOH B 2 .   ? -12.418 -16.790 10.520 1.00 41.14 ? 211 HOH A O   1 
HETATM 897 O O   . HOH B 2 .   ? -22.389 -11.404 0.667  1.00 30.24 ? 212 HOH A O   1 
HETATM 898 O O   . HOH B 2 .   ? -18.268 3.439   18.515 1.00 33.93 ? 213 HOH A O   1 
HETATM 899 O O   . HOH B 2 .   ? -8.478  -12.253 -4.807 1.00 23.69 ? 214 HOH A O   1 
HETATM 900 O O   . HOH B 2 .   ? -26.179 10.881  9.410  1.00 29.77 ? 215 HOH A O   1 
HETATM 901 O O   . HOH B 2 .   ? -1.925  -10.807 -1.925 1.00 27.50 ? 216 HOH A O   1 
HETATM 902 O O   . HOH B 2 .   ? -6.344  7.161   12.078 1.00 25.32 ? 217 HOH A O   1 
HETATM 903 O O   . HOH B 2 .   ? -10.886 9.506   10.263 1.00 33.98 ? 218 HOH A O   1 
HETATM 904 O O   . HOH B 2 .   ? 0.133   -9.477  10.385 1.00 29.58 ? 219 HOH A O   1 
HETATM 905 O O   . HOH B 2 .   ? -1.746  -8.284  -2.494 1.00 27.44 ? 220 HOH A O   1 
HETATM 906 O O   . HOH B 2 .   ? -18.414 -6.732  10.847 1.00 18.91 ? 221 HOH A O   1 
HETATM 907 O O   . HOH B 2 .   ? -16.194 7.385   -1.979 1.00 27.51 ? 222 HOH A O   1 
HETATM 908 O O   . HOH B 2 .   ? -12.183 -9.633  10.215 1.00 18.94 ? 223 HOH A O   1 
HETATM 909 O O   . HOH B 2 .   ? -13.329 -14.346 6.014  1.00 29.66 ? 224 HOH A O   1 
HETATM 910 O O   . HOH B 2 .   ? -18.496 -10.298 13.306 1.00 28.84 ? 225 HOH A O   1 
HETATM 911 O O   . HOH B 2 .   ? -14.506 -10.078 19.011 1.00 33.93 ? 226 HOH A O   1 
HETATM 912 O O   . HOH B 2 .   ? -16.327 -6.156  -2.574 1.00 24.47 ? 227 HOH A O   1 
HETATM 913 O O   . HOH B 2 .   ? -0.936  -18.052 13.706 1.00 28.82 ? 228 HOH A O   1 
HETATM 914 O O   . HOH B 2 .   ? 2.438   -8.295  24.932 1.00 34.42 ? 229 HOH A O   1 
HETATM 915 O O   . HOH B 2 .   ? -17.725 11.304  9.138  1.00 32.65 ? 230 HOH A O   1 
HETATM 916 O O   . HOH B 2 .   ? 3.105   -14.717 20.299 1.00 27.66 ? 231 HOH A O   1 
HETATM 917 O O   . HOH B 2 .   ? -26.730 -19.357 15.664 1.00 27.02 ? 232 HOH A O   1 
HETATM 918 O O   . HOH B 2 .   ? -19.103 -8.777  -0.779 1.00 31.24 ? 233 HOH A O   1 
HETATM 919 O O   . HOH B 2 .   ? -15.252 10.569  8.569  1.00 29.18 ? 234 HOH A O   1 
HETATM 920 O O   . HOH B 2 .   ? -3.519  -17.337 21.543 1.00 24.91 ? 235 HOH A O   1 
HETATM 921 O O   . HOH B 2 .   ? 3.459   -7.370  15.913 1.00 29.95 ? 236 HOH A O   1 
HETATM 922 O O   . HOH B 2 .   ? -24.943 12.213  8.274  1.00 30.95 ? 237 HOH A O   1 
HETATM 923 O O   . HOH B 2 .   ? -12.616 -12.738 -3.270 1.00 27.06 ? 238 HOH A O   1 
HETATM 924 O O   . HOH B 2 .   ? -9.715  -24.204 22.448 1.00 32.44 ? 239 HOH A O   1 
HETATM 925 O O   . HOH B 2 .   ? -14.132 9.875   10.993 1.00 35.50 ? 240 HOH A O   1 
HETATM 926 O O   . HOH B 2 .   ? -13.675 -12.681 0.224  1.00 26.90 ? 241 HOH A O   1 
HETATM 927 O O   . HOH B 2 .   ? 0.868   -6.420  -2.122 1.00 30.93 ? 242 HOH A O   1 
HETATM 928 O O   . HOH B 2 .   ? -5.652  -15.672 7.927  1.00 25.49 ? 243 HOH A O   1 
HETATM 929 O O   . HOH B 2 .   ? -2.146  -4.853  -9.200 1.00 35.61 ? 244 HOH A O   1 
HETATM 930 O O   . HOH B 2 .   ? -23.557 -4.104  20.815 1.00 42.70 ? 245 HOH A O   1 
HETATM 931 O O   . HOH B 2 .   ? -18.613 8.681   -1.185 1.00 36.90 ? 246 HOH A O   1 
HETATM 932 O O   . HOH B 2 .   ? -12.935 -11.838 11.547 1.00 30.33 ? 247 HOH A O   1 
HETATM 933 O O   . HOH B 2 .   ? -4.323  11.593  17.126 1.00 32.79 ? 248 HOH A O   1 
HETATM 934 O O   . HOH B 2 .   ? -27.943 -16.862 14.884 1.00 29.63 ? 249 HOH A O   1 
HETATM 935 O O   . HOH B 2 .   ? -9.895  3.946   0.667  1.00 44.87 ? 250 HOH A O   1 
HETATM 936 O O   . HOH B 2 .   ? -4.555  -15.911 2.894  1.00 38.85 ? 251 HOH A O   1 
HETATM 937 O O   . HOH B 2 .   ? 4.873   -16.635 20.200 1.00 33.30 ? 252 HOH A O   1 
HETATM 938 O O   . HOH B 2 .   ? -13.964 -9.515  -6.257 1.00 34.70 ? 253 HOH A O   1 
HETATM 939 O O   . HOH B 2 .   ? -14.115 -14.907 9.071  1.00 39.14 ? 254 HOH A O   1 
HETATM 940 O O   . HOH B 2 .   ? -14.843 2.761   -6.215 1.00 43.02 ? 255 HOH A O   1 
HETATM 941 O O   . HOH B 2 .   ? -6.246  8.690   10.139 1.00 38.80 ? 256 HOH A O   1 
HETATM 942 O O   . HOH B 2 .   ? -29.840 -5.495  -3.092 1.00 49.70 ? 257 HOH A O   1 
HETATM 943 O O   . HOH B 2 .   ? 3.135   -1.710  7.675  1.00 37.96 ? 258 HOH A O   1 
# 
