data_9H87
# 
_entry.id   9H87 
# 
_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   9H87         pdb_00009h87 10.2210/pdb9h87/pdb 
WWPDB D_1292142416 ?            ?                   
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
_pdbx_audit_revision_history.part_number 
1 'Structure model' 1 0 2025-04-30 ? 
2 'Structure model' 1 1 2025-05-07 ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               'Database references' 
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 2 'Structure model' citation        
2 2 'Structure model' citation_author 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1 2 'Structure model' '_citation.journal_id_ISSN'         
2 2 'Structure model' '_citation.pdbx_database_id_DOI'    
3 2 'Structure model' '_citation.pdbx_database_id_PubMed' 
4 2 'Structure model' '_citation.title'                   
5 2 'Structure model' '_citation_author.identifier_ORCID' 
6 2 'Structure model' '_citation_author.name'             
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9H87 
_pdbx_database_status.recvd_initial_deposition_date   2024-10-28 
_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              g.roelfes@rug.nl 
_pdbx_contact_author.name_first         Gerard 
_pdbx_contact_author.name_last          Roelfes 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-0364-9564 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Thunnissen, A.M.W.H.' 1 0000-0002-1915-9850 
'Brouwer, B.'          2 0009-0001-5233-8172 
'Roelfes, G.'          3 0000-0002-0364-9564 
# 
_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            'Chem Sci' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           2041-6520 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     
'Genetically encoded 3-aminotyrosine as catalytic residue in a designer Friedel-Crafts alkylase.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1039/d5sc01055a 
_citation.pdbx_database_id_PubMed   40276638 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Brouwer, B.'        1 0009-0001-5233-8172 
primary 'Della-Felice, F.'   2 0000-0003-1131-9394 
primary 'Thunnissen, A.W.H.' 3 0000-0002-1915-9850 
primary 'Roelfes, G.'        4 0000-0002-0364-9564 
# 
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 'Transcriptional regulator, PadR-like family' 15069.849 1 ? 'V15(3-amino-Y),K55D,K59Q' ? 
'LmrR carrying a C-terminal strep-II tag and with V15 replaced by 3-aminotyrosine' 
2 water   nat water                                         18.015    5 ? ?                          ? ? 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   yes 
_entity_poly.pdbx_seq_one_letter_code       
;GAEIPKEMLRAQTN(TY2)ILLNVLKQGDNYVYGIIKQVKEASNGEMELNEATLYTIFDRLEQDGIISSYWGDESQGGRR
KYYRLTEIGHENMRLAFESWSRVDKIIENLEANKKSEAIKSRGGSGGWSHPQFEK
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GAEIPKEMLRAQTNYILLNVLKQGDNYVYGIIKQVKEASNGEMELNEATLYTIFDRLEQDGIISSYWGDESQGGRRKYYR
LTEIGHENMRLAFESWSRVDKIIENLEANKKSEAIKSRGGSGGWSHPQFEK
;
_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   GLY n 
1 2   ALA n 
1 3   GLU n 
1 4   ILE n 
1 5   PRO n 
1 6   LYS n 
1 7   GLU n 
1 8   MET n 
1 9   LEU n 
1 10  ARG n 
1 11  ALA n 
1 12  GLN n 
1 13  THR n 
1 14  ASN n 
1 15  TY2 n 
1 16  ILE n 
1 17  LEU n 
1 18  LEU n 
1 19  ASN n 
1 20  VAL n 
1 21  LEU n 
1 22  LYS n 
1 23  GLN n 
1 24  GLY n 
1 25  ASP n 
1 26  ASN n 
1 27  TYR n 
1 28  VAL n 
1 29  TYR n 
1 30  GLY n 
1 31  ILE n 
1 32  ILE n 
1 33  LYS n 
1 34  GLN n 
1 35  VAL n 
1 36  LYS n 
1 37  GLU n 
1 38  ALA n 
1 39  SER n 
1 40  ASN n 
1 41  GLY n 
1 42  GLU n 
1 43  MET n 
1 44  GLU n 
1 45  LEU n 
1 46  ASN n 
1 47  GLU n 
1 48  ALA n 
1 49  THR n 
1 50  LEU n 
1 51  TYR n 
1 52  THR n 
1 53  ILE n 
1 54  PHE n 
1 55  ASP n 
1 56  ARG n 
1 57  LEU n 
1 58  GLU n 
1 59  GLN n 
1 60  ASP n 
1 61  GLY n 
1 62  ILE n 
1 63  ILE n 
1 64  SER n 
1 65  SER n 
1 66  TYR n 
1 67  TRP n 
1 68  GLY n 
1 69  ASP n 
1 70  GLU n 
1 71  SER n 
1 72  GLN n 
1 73  GLY n 
1 74  GLY n 
1 75  ARG n 
1 76  ARG n 
1 77  LYS n 
1 78  TYR n 
1 79  TYR n 
1 80  ARG n 
1 81  LEU n 
1 82  THR n 
1 83  GLU n 
1 84  ILE n 
1 85  GLY n 
1 86  HIS n 
1 87  GLU n 
1 88  ASN n 
1 89  MET n 
1 90  ARG n 
1 91  LEU n 
1 92  ALA n 
1 93  PHE n 
1 94  GLU n 
1 95  SER n 
1 96  TRP n 
1 97  SER n 
1 98  ARG n 
1 99  VAL n 
1 100 ASP n 
1 101 LYS n 
1 102 ILE n 
1 103 ILE n 
1 104 GLU n 
1 105 ASN n 
1 106 LEU n 
1 107 GLU n 
1 108 ALA n 
1 109 ASN n 
1 110 LYS n 
1 111 LYS n 
1 112 SER n 
1 113 GLU n 
1 114 ALA n 
1 115 ILE n 
1 116 LYS n 
1 117 SER n 
1 118 ARG n 
1 119 GLY n 
1 120 GLY n 
1 121 SER n 
1 122 GLY n 
1 123 GLY n 
1 124 TRP n 
1 125 SER n 
1 126 HIS n 
1 127 PRO n 
1 128 GLN n 
1 129 PHE n 
1 130 GLU n 
1 131 LYS 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                   131 
_entity_src_gen.gene_src_common_name               ? 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 llmg_0323 
_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      'Lactococcus cremoris subsp. cremoris MG1363' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     416870 
_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 
TY2 'L-peptide linking' n 3-AMINO-L-TYROSINE ? 'C9 H12 N2 O3'   196.203 
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   GLY 1   1   ?   ?   ?   A . n 
A 1 2   ALA 2   2   ?   ?   ?   A . n 
A 1 3   GLU 3   3   3   GLU GLU A . n 
A 1 4   ILE 4   4   4   ILE ILE A . n 
A 1 5   PRO 5   5   5   PRO PRO A . n 
A 1 6   LYS 6   6   6   LYS LYS A . n 
A 1 7   GLU 7   7   7   GLU GLU A . n 
A 1 8   MET 8   8   8   MET MET A . n 
A 1 9   LEU 9   9   9   LEU LEU A . n 
A 1 10  ARG 10  10  10  ARG ARG A . n 
A 1 11  ALA 11  11  11  ALA ALA A . n 
A 1 12  GLN 12  12  12  GLN GLN A . n 
A 1 13  THR 13  13  13  THR THR A . n 
A 1 14  ASN 14  14  14  ASN ASN A . n 
A 1 15  TY2 15  15  15  TY2 TY2 A . n 
A 1 16  ILE 16  16  16  ILE ILE A . n 
A 1 17  LEU 17  17  17  LEU LEU A . n 
A 1 18  LEU 18  18  18  LEU LEU A . n 
A 1 19  ASN 19  19  19  ASN ASN A . n 
A 1 20  VAL 20  20  20  VAL VAL A . n 
A 1 21  LEU 21  21  21  LEU LEU A . n 
A 1 22  LYS 22  22  22  LYS LYS A . n 
A 1 23  GLN 23  23  23  GLN GLN A . n 
A 1 24  GLY 24  24  24  GLY GLY A . n 
A 1 25  ASP 25  25  25  ASP ASP A . n 
A 1 26  ASN 26  26  26  ASN ASN A . n 
A 1 27  TYR 27  27  27  TYR TYR A . n 
A 1 28  VAL 28  28  28  VAL VAL A . n 
A 1 29  TYR 29  29  29  TYR TYR A . n 
A 1 30  GLY 30  30  30  GLY GLY A . n 
A 1 31  ILE 31  31  31  ILE ILE A . n 
A 1 32  ILE 32  32  32  ILE ILE A . n 
A 1 33  LYS 33  33  33  LYS LYS A . n 
A 1 34  GLN 34  34  34  GLN GLN A . n 
A 1 35  VAL 35  35  35  VAL VAL A . n 
A 1 36  LYS 36  36  36  LYS LYS A . n 
A 1 37  GLU 37  37  37  GLU GLU A . n 
A 1 38  ALA 38  38  38  ALA ALA A . n 
A 1 39  SER 39  39  39  SER SER A . n 
A 1 40  ASN 40  40  40  ASN ASN A . n 
A 1 41  GLY 41  41  41  GLY GLY A . n 
A 1 42  GLU 42  42  42  GLU GLU A . n 
A 1 43  MET 43  43  43  MET MET A . n 
A 1 44  GLU 44  44  44  GLU GLU A . n 
A 1 45  LEU 45  45  45  LEU LEU A . n 
A 1 46  ASN 46  46  46  ASN ASN A . n 
A 1 47  GLU 47  47  47  GLU GLU A . n 
A 1 48  ALA 48  48  48  ALA ALA A . n 
A 1 49  THR 49  49  49  THR THR A . n 
A 1 50  LEU 50  50  50  LEU LEU A . n 
A 1 51  TYR 51  51  51  TYR TYR A . n 
A 1 52  THR 52  52  52  THR THR A . n 
A 1 53  ILE 53  53  53  ILE ILE A . n 
A 1 54  PHE 54  54  54  PHE PHE A . n 
A 1 55  ASP 55  55  55  ASP ASP A . n 
A 1 56  ARG 56  56  56  ARG ARG A . n 
A 1 57  LEU 57  57  57  LEU LEU A . n 
A 1 58  GLU 58  58  58  GLU GLU A . n 
A 1 59  GLN 59  59  59  GLN GLN A . n 
A 1 60  ASP 60  60  60  ASP ASP A . n 
A 1 61  GLY 61  61  61  GLY GLY A . n 
A 1 62  ILE 62  62  62  ILE ILE A . n 
A 1 63  ILE 63  63  63  ILE ILE A . n 
A 1 64  SER 64  64  64  SER SER A . n 
A 1 65  SER 65  65  65  SER SER A . n 
A 1 66  TYR 66  66  66  TYR TYR A . n 
A 1 67  TRP 67  67  67  TRP TRP A . n 
A 1 68  GLY 68  68  68  GLY GLY A . n 
A 1 69  ASP 69  69  69  ASP ASP A . n 
A 1 70  GLU 70  70  70  GLU GLU A . n 
A 1 71  SER 71  71  71  SER SER A . n 
A 1 72  GLN 72  72  72  GLN GLN A . n 
A 1 73  GLY 73  73  73  GLY GLY A . n 
A 1 74  GLY 74  74  74  GLY GLY A . n 
A 1 75  ARG 75  75  75  ARG ARG A . n 
A 1 76  ARG 76  76  76  ARG ARG A . n 
A 1 77  LYS 77  77  77  LYS LYS A . n 
A 1 78  TYR 78  78  78  TYR TYR A . n 
A 1 79  TYR 79  79  79  TYR TYR A . n 
A 1 80  ARG 80  80  80  ARG ARG A . n 
A 1 81  LEU 81  81  81  LEU LEU A . n 
A 1 82  THR 82  82  82  THR THR A . n 
A 1 83  GLU 83  83  83  GLU GLU A . n 
A 1 84  ILE 84  84  84  ILE ILE A . n 
A 1 85  GLY 85  85  85  GLY GLY A . n 
A 1 86  HIS 86  86  86  HIS HIS 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  MET 89  89  89  MET MET A . n 
A 1 90  ARG 90  90  90  ARG ARG A . n 
A 1 91  LEU 91  91  91  LEU LEU A . n 
A 1 92  ALA 92  92  92  ALA ALA A . n 
A 1 93  PHE 93  93  93  PHE PHE A . n 
A 1 94  GLU 94  94  94  GLU GLU A . n 
A 1 95  SER 95  95  95  SER SER A . n 
A 1 96  TRP 96  96  96  TRP TRP A . n 
A 1 97  SER 97  97  97  SER SER A . n 
A 1 98  ARG 98  98  98  ARG ARG A . n 
A 1 99  VAL 99  99  99  VAL VAL A . n 
A 1 100 ASP 100 100 100 ASP ASP A . n 
A 1 101 LYS 101 101 101 LYS LYS A . n 
A 1 102 ILE 102 102 102 ILE ILE A . n 
A 1 103 ILE 103 103 103 ILE ILE A . n 
A 1 104 GLU 104 104 104 GLU GLU A . n 
A 1 105 ASN 105 105 105 ASN ASN A . n 
A 1 106 LEU 106 106 106 LEU LEU A . n 
A 1 107 GLU 107 107 107 GLU GLU A . n 
A 1 108 ALA 108 108 108 ALA ALA A . n 
A 1 109 ASN 109 109 109 ASN ASN A . n 
A 1 110 LYS 110 110 110 LYS LYS A . n 
A 1 111 LYS 111 111 111 LYS LYS A . n 
A 1 112 SER 112 112 112 SER SER A . n 
A 1 113 GLU 113 113 113 GLU GLU A . n 
A 1 114 ALA 114 114 114 ALA ALA A . n 
A 1 115 ILE 115 115 115 ILE ILE A . n 
A 1 116 LYS 116 116 ?   ?   ?   A . n 
A 1 117 SER 117 117 ?   ?   ?   A . n 
A 1 118 ARG 118 118 ?   ?   ?   A . n 
A 1 119 GLY 119 119 ?   ?   ?   A . n 
A 1 120 GLY 120 120 ?   ?   ?   A . n 
A 1 121 SER 121 121 ?   ?   ?   A . n 
A 1 122 GLY 122 122 ?   ?   ?   A . n 
A 1 123 GLY 123 123 ?   ?   ?   A . n 
A 1 124 TRP 124 124 ?   ?   ?   A . n 
A 1 125 SER 125 125 ?   ?   ?   A . n 
A 1 126 HIS 126 126 ?   ?   ?   A . n 
A 1 127 PRO 127 127 ?   ?   ?   A . n 
A 1 128 GLN 128 128 ?   ?   ?   A . n 
A 1 129 PHE 129 129 ?   ?   ?   A . n 
A 1 130 GLU 130 130 ?   ?   ?   A . n 
A 1 131 LYS 131 131 ?   ?   ?   A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        TY2 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   TY2 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
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 3 HOH HOH A . 
B 2 HOH 2 202 1 HOH HOH A . 
B 2 HOH 3 203 5 HOH HOH A . 
B 2 HOH 4 204 2 HOH HOH A . 
B 2 HOH 5 205 4 HOH HOH A . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC  ? ? ? 5.8.0419 1 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .        2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? DIALS   ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .        4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  120.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9H87 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     70.714 
_cell.length_a_esd                 ? 
_cell.length_b                     70.714 
_cell.length_b_esd                 ? 
_cell.length_c                     59.838 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        6 
_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                         9H87 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                153 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 32 1 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9H87 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.87 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          57.08 
_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    
;The protein solution contained 16 mg/ml protein in 20 mM HEPES, 280 mM NaCl, pH 7.0. The reservoir solution contained 0.2 M KSCN, 0.1 M Bis-Tris propane, pH 6.5, 20% (w/v) PEG 3350
;
_exptl_crystal_grow.pdbx_pH_range   6.5 
_exptl_crystal_grow.temp            294 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-11-05 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.96546 
_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                        'ESRF BEAMLINE MASSIF-1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.96546 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   MASSIF-1 
_diffrn_source.pdbx_synchrotron_site       ESRF 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9H87 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.15 
_reflns.d_resolution_low                               61.26 
_reflns.details                                        ? 
_reflns.limit_h_max                                    ? 
_reflns.limit_h_min                                    ? 
_reflns.limit_k_max                                    ? 
_reflns.limit_k_min                                    ? 
_reflns.limit_l_max                                    ? 
_reflns.limit_l_min                                    ? 
_reflns.number_all                                     ? 
_reflns.number_obs                                     9471 
_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                           100.0 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                10.2 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          17.4 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               0.95 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.053 
_reflns.pdbx_Rpim_I_all                                0.016 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       96934 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   1.000 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.050 
_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                                    2.15 
_reflns_shell.d_res_low                                     2.21 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           7881 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             765 
_reflns_shell.percent_possible_obs                          100.0 
_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                               10.3 
_reflns_shell.pdbx_chi_squared                              0.91 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     1.0 
_reflns_shell.pdbx_Rrim_I_all                               1.951 
_reflns_shell.pdbx_Rpim_I_all                               0.603 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.705 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  1.854 
_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]                            -1.21 
_refine.aniso_B[1][2]                            -0.60 
_refine.aniso_B[1][3]                            -0.00 
_refine.aniso_B[2][2]                            -1.21 
_refine.aniso_B[2][3]                            0.00 
_refine.aniso_B[3][3]                            3.92 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               75.912 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.962 
_refine.correlation_coeff_Fo_to_Fc_free          0.948 
_refine.details                                  'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9H87 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            2.15 
_refine.ls_d_res_low                             42.84 
_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                     8993 
_refine.ls_number_reflns_R_free                  474 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.95 
_refine.ls_percent_reflns_R_free                 5.0 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.22357 
_refine.ls_R_factor_R_free                       0.26819 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.22122 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    MASK 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               THROUGHOUT 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'MAXIMUM LIKELIHOOD' 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.204 
_refine.pdbx_overall_ESU_R_Free                  0.189 
_refine.pdbx_solvent_vdw_probe_radii             1.20 
_refine.pdbx_solvent_ion_probe_radii             0.80 
_refine.pdbx_solvent_shrinkage_radii             0.80 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             16.705 
_refine.overall_SU_ML                            0.187 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         1 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       2.15 
_refine_hist.d_res_low                        42.84 
_refine_hist.number_atoms_solvent             5 
_refine_hist.number_atoms_total               933 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        928 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         0 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.008  0.012  942  ? r_bond_refined_d             ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  898  ? r_bond_other_d               ? ? 
'X-RAY DIFFRACTION' ? 1.985  1.844  1266 ? r_angle_refined_deg          ? ? 
'X-RAY DIFFRACTION' ? 0.697  1.791  2062 ? r_angle_other_deg            ? ? 
'X-RAY DIFFRACTION' ? 6.294  5.000  112  ? r_dihedral_angle_1_deg       ? ? 
'X-RAY DIFFRACTION' ? 8.619  5.000  7    ? r_dihedral_angle_2_deg       ? ? 
'X-RAY DIFFRACTION' ? 16.536 10.000 181  ? r_dihedral_angle_3_deg       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_dihedral_angle_4_deg       ? ? 
'X-RAY DIFFRACTION' ? 0.102  0.200  134  ? r_chiral_restr               ? ? 
'X-RAY DIFFRACTION' ? 0.009  0.020  1124 ? r_gen_planes_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  224  ? r_gen_planes_other           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbd_refined                ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbd_other                  ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbtor_refined              ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbtor_other                ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_xyhbond_nbd_refined        ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_xyhbond_nbd_other          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_metal_ion_refined          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_metal_ion_other            ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_vdw_refined       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_vdw_other         ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_hbond_refined     ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_hbond_other       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_metal_ion_refined ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_metal_ion_other   ? ? 
'X-RAY DIFFRACTION' ? 5.796  5.405  451  ? r_mcbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 5.760  5.410  451  ? r_mcbond_other               ? ? 
'X-RAY DIFFRACTION' ? 7.781  9.644  562  ? r_mcangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 7.791  9.656  563  ? r_mcangle_other              ? ? 
'X-RAY DIFFRACTION' ? 6.502  5.953  491  ? r_scbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 6.497  5.960  492  ? r_scbond_other               ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_scangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 9.140  10.617 705  ? r_scangle_other              ? ? 
'X-RAY DIFFRACTION' ? 12.821 64.53  3865 ? r_long_range_B_refined       ? ? 
'X-RAY DIFFRACTION' ? 12.819 64.54  3866 ? r_long_range_B_other         ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_rigid_bond_restr           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_free            ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_bonded          ? ? 
# 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_ls_shell.d_res_high                       2.15 
_refine_ls_shell.d_res_low                        2.205 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             30 
_refine_ls_shell.number_reflns_R_work             673 
_refine_ls_shell.percent_reflns_obs               100.00 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_obs                     ? 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.R_factor_R_work                  0.322 
_refine_ls_shell.redundancy_reflns_all            ? 
_refine_ls_shell.redundancy_reflns_obs            ? 
_refine_ls_shell.wR_factor_all                    ? 
_refine_ls_shell.wR_factor_obs                    ? 
_refine_ls_shell.wR_factor_R_free                 ? 
_refine_ls_shell.wR_factor_R_work                 ? 
_refine_ls_shell.pdbx_R_complete                  ? 
_refine_ls_shell.pdbx_total_number_of_bins_used   ? 
_refine_ls_shell.pdbx_phase_error                 ? 
_refine_ls_shell.pdbx_fsc_work                    ? 
_refine_ls_shell.pdbx_fsc_free                    ? 
_refine_ls_shell.R_factor_R_free                  0.315 
# 
_struct.entry_id                     9H87 
_struct.title                        'Crystal structure of LmrR variant V15aY with Val15 replaced by 3-aminotyrosine' 
_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        9H87 
_struct_keywords.text            
'Artificial enzyme, Friedel-Crafts alkylase, unnatural amino acid, 3-aminotyrosine, 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                    A2RI36_LACLM 
_struct_ref.pdbx_db_accession          A2RI36 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;AEIPKEMLRAQTNVILLNVLKQGDNYVYGIIKQVKEASNGEMELNEATLYTIFKRLEKDGIISSYWGDESQGGRRKYYRL
TEIGHENMRLAFESWSRVDKIIENLEANKKSEAIK
;
_struct_ref.pdbx_align_begin           2 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9H87 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 2 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 116 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             A2RI36 
_struct_ref_seq.db_align_beg                  2 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  116 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       2 
_struct_ref_seq.pdbx_auth_seq_align_end       116 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 9H87 GLY A 1   ? UNP A2RI36 ?   ?  'expression tag'      1   1  
1 9H87 TY2 A 15  ? UNP A2RI36 VAL 15 'engineered mutation' 15  2  
1 9H87 ASP A 55  ? UNP A2RI36 LYS 55 'engineered mutation' 55  3  
1 9H87 GLN A 59  ? UNP A2RI36 LYS 59 'engineered mutation' 59  4  
1 9H87 SER A 117 ? UNP A2RI36 ?   ?  'expression tag'      117 5  
1 9H87 ARG A 118 ? UNP A2RI36 ?   ?  'expression tag'      118 6  
1 9H87 GLY A 119 ? UNP A2RI36 ?   ?  'expression tag'      119 7  
1 9H87 GLY A 120 ? UNP A2RI36 ?   ?  'expression tag'      120 8  
1 9H87 SER A 121 ? UNP A2RI36 ?   ?  'expression tag'      121 9  
1 9H87 GLY A 122 ? UNP A2RI36 ?   ?  'expression tag'      122 10 
1 9H87 GLY A 123 ? UNP A2RI36 ?   ?  'expression tag'      123 11 
1 9H87 TRP A 124 ? UNP A2RI36 ?   ?  'expression tag'      124 12 
1 9H87 SER A 125 ? UNP A2RI36 ?   ?  'expression tag'      125 13 
1 9H87 HIS A 126 ? UNP A2RI36 ?   ?  'expression tag'      126 14 
1 9H87 PRO A 127 ? UNP A2RI36 ?   ?  'expression tag'      127 15 
1 9H87 GLN A 128 ? UNP A2RI36 ?   ?  'expression tag'      128 16 
1 9H87 PHE A 129 ? UNP A2RI36 ?   ?  'expression tag'      129 17 
1 9H87 GLU A 130 ? UNP A2RI36 ?   ?  'expression tag'      130 18 
1 9H87 LYS A 131 ? UNP A2RI36 ?   ?  'expression tag'      131 19 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
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)' 2840  ? 
1 MORE         -22   ? 
1 'SSA (A^2)'  13680 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2 
_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                ? 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555 x,y,z         1.0000000000  0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 
0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000  0.0000000000   
2 'crystal symmetry operation' 5_554 -x+y,y,-z-1/3 -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 
0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 -19.9460000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 PRO A 5  ? GLN A 23  ? PRO A 5  GLN A 23  1 ? 19 
HELX_P HELX_P2 AA2 TYR A 27 ? SER A 39  ? TYR A 27 SER A 39  1 ? 13 
HELX_P HELX_P3 AA3 ASN A 46 ? ASP A 60  ? ASN A 46 ASP A 60  1 ? 15 
HELX_P HELX_P4 AA4 THR A 82 ? ALA A 114 ? THR A 82 ALA A 114 1 ? 33 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
covale1 covale both ? A ASN 14 C ? ? ? 1_555 A TY2 15 N ? ? A ASN 14 A TY2 15 1_555 ? ? ? ? ? ? ? 1.326 ? ? 
covale2 covale both ? A TY2 15 C ? ? ? 1_555 A ILE 16 N ? ? A TY2 15 A ILE 16 1_555 ? ? ? ? ? ? ? 1.321 ? ? 
# 
_struct_conn_type.id          covale 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
_pdbx_modification_feature.ordinal                            1 
_pdbx_modification_feature.label_comp_id                      TY2 
_pdbx_modification_feature.label_asym_id                      A 
_pdbx_modification_feature.label_seq_id                       15 
_pdbx_modification_feature.label_alt_id                       ? 
_pdbx_modification_feature.modified_residue_label_comp_id     . 
_pdbx_modification_feature.modified_residue_label_asym_id     . 
_pdbx_modification_feature.modified_residue_label_seq_id      . 
_pdbx_modification_feature.modified_residue_label_alt_id      . 
_pdbx_modification_feature.auth_comp_id                       TY2 
_pdbx_modification_feature.auth_asym_id                       A 
_pdbx_modification_feature.auth_seq_id                        15 
_pdbx_modification_feature.PDB_ins_code                       ? 
_pdbx_modification_feature.symmetry                           1_555 
_pdbx_modification_feature.modified_residue_auth_comp_id      . 
_pdbx_modification_feature.modified_residue_auth_asym_id      . 
_pdbx_modification_feature.modified_residue_auth_seq_id       . 
_pdbx_modification_feature.modified_residue_PDB_ins_code      . 
_pdbx_modification_feature.modified_residue_symmetry          . 
_pdbx_modification_feature.comp_id_linking_atom               . 
_pdbx_modification_feature.modified_residue_id_linking_atom   . 
_pdbx_modification_feature.modified_residue_id                TYR 
_pdbx_modification_feature.ref_pcm_id                         1 
_pdbx_modification_feature.ref_comp_id                        TY2 
_pdbx_modification_feature.type                               Amination 
_pdbx_modification_feature.category                           'Named protein modification' 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   2 
_struct_sheet.details          ? 
# 
_struct_sheet_order.sheet_id     AA1 
_struct_sheet_order.range_id_1   1 
_struct_sheet_order.range_id_2   2 
_struct_sheet_order.offset       ? 
_struct_sheet_order.sense        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 ILE A 63 ? TRP A 67 ? ILE A 63 TRP A 67 
AA1 2 LYS A 77 ? LEU A 81 ? LYS A 77 LEU A 81 
# 
_pdbx_struct_sheet_hbond.sheet_id                AA1 
_pdbx_struct_sheet_hbond.range_id_1              1 
_pdbx_struct_sheet_hbond.range_id_2              2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id   N 
_pdbx_struct_sheet_hbond.range_1_label_comp_id   TYR 
_pdbx_struct_sheet_hbond.range_1_label_asym_id   A 
_pdbx_struct_sheet_hbond.range_1_label_seq_id    66 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code    ? 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id    N 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id    TYR 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id    A 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id     66 
_pdbx_struct_sheet_hbond.range_2_label_atom_id   O 
_pdbx_struct_sheet_hbond.range_2_label_comp_id   TYR 
_pdbx_struct_sheet_hbond.range_2_label_asym_id   A 
_pdbx_struct_sheet_hbond.range_2_label_seq_id    78 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code    ? 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id    O 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id    TYR 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id    A 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id     78 
# 
_pdbx_entry_details.entry_id                   9H87 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   Y 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             CB 
_pdbx_validate_rmsd_angle.auth_asym_id_1             A 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ASN 
_pdbx_validate_rmsd_angle.auth_seq_id_1              46 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CA 
_pdbx_validate_rmsd_angle.auth_asym_id_2             A 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ASN 
_pdbx_validate_rmsd_angle.auth_seq_id_2              46 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             C 
_pdbx_validate_rmsd_angle.auth_asym_id_3             A 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ASN 
_pdbx_validate_rmsd_angle.auth_seq_id_3              46 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                90.11 
_pdbx_validate_rmsd_angle.angle_target_value         110.40 
_pdbx_validate_rmsd_angle.angle_deviation            -20.29 
_pdbx_validate_rmsd_angle.angle_standard_deviation   2.00 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
_pdbx_refine_tls.id               1 
_pdbx_refine_tls.pdbx_refine_id   'X-RAY DIFFRACTION' 
_pdbx_refine_tls.details          ? 
_pdbx_refine_tls.method           refined 
_pdbx_refine_tls.origin_x         -10.5999 
_pdbx_refine_tls.origin_y         17.9777 
_pdbx_refine_tls.origin_z         -8.8207 
_pdbx_refine_tls.T[1][1]          0.0333 
_pdbx_refine_tls.T[1][1]_esd      ? 
_pdbx_refine_tls.T[1][2]          -0.0415 
_pdbx_refine_tls.T[1][2]_esd      ? 
_pdbx_refine_tls.T[1][3]          -0.0481 
_pdbx_refine_tls.T[1][3]_esd      ? 
_pdbx_refine_tls.T[2][2]          0.1776 
_pdbx_refine_tls.T[2][2]_esd      ? 
_pdbx_refine_tls.T[2][3]          -0.0157 
_pdbx_refine_tls.T[2][3]_esd      ? 
_pdbx_refine_tls.T[3][3]          0.3549 
_pdbx_refine_tls.T[3][3]_esd      ? 
_pdbx_refine_tls.L[1][1]          2.6799 
_pdbx_refine_tls.L[1][1]_esd      ? 
_pdbx_refine_tls.L[1][2]          -0.7680 
_pdbx_refine_tls.L[1][2]_esd      ? 
_pdbx_refine_tls.L[1][3]          -1.5024 
_pdbx_refine_tls.L[1][3]_esd      ? 
_pdbx_refine_tls.L[2][2]          0.6164 
_pdbx_refine_tls.L[2][2]_esd      ? 
_pdbx_refine_tls.L[2][3]          0.2991 
_pdbx_refine_tls.L[2][3]_esd      ? 
_pdbx_refine_tls.L[3][3]          0.8980 
_pdbx_refine_tls.L[3][3]_esd      ? 
_pdbx_refine_tls.S[1][1]          -0.0883 
_pdbx_refine_tls.S[1][1]_esd      ? 
_pdbx_refine_tls.S[1][2]          0.1460 
_pdbx_refine_tls.S[1][2]_esd      ? 
_pdbx_refine_tls.S[1][3]          -0.3309 
_pdbx_refine_tls.S[1][3]_esd      ? 
_pdbx_refine_tls.S[2][1]          0.0980 
_pdbx_refine_tls.S[2][1]_esd      ? 
_pdbx_refine_tls.S[2][2]          -0.0447 
_pdbx_refine_tls.S[2][2]_esd      ? 
_pdbx_refine_tls.S[2][3]          0.0712 
_pdbx_refine_tls.S[2][3]_esd      ? 
_pdbx_refine_tls.S[3][1]          0.0349 
_pdbx_refine_tls.S[3][1]_esd      ? 
_pdbx_refine_tls.S[3][2]          -0.0744 
_pdbx_refine_tls.S[3][2]_esd      ? 
_pdbx_refine_tls.S[3][3]          0.1330 
_pdbx_refine_tls.S[3][3]_esd      ? 
# 
_pdbx_refine_tls_group.id                  1 
_pdbx_refine_tls_group.pdbx_refine_id      'X-RAY DIFFRACTION' 
_pdbx_refine_tls_group.refine_tls_id       1 
_pdbx_refine_tls_group.beg_label_asym_id   ? 
_pdbx_refine_tls_group.beg_label_seq_id    ? 
_pdbx_refine_tls_group.beg_auth_asym_id    A 
_pdbx_refine_tls_group.beg_auth_seq_id     3 
_pdbx_refine_tls_group.beg_PDB_ins_code    ? 
_pdbx_refine_tls_group.end_label_asym_id   ? 
_pdbx_refine_tls_group.end_label_seq_id    ? 
_pdbx_refine_tls_group.end_auth_asym_id    A 
_pdbx_refine_tls_group.end_auth_seq_id     115 
_pdbx_refine_tls_group.end_PDB_ins_code    ? 
_pdbx_refine_tls_group.selection           ? 
_pdbx_refine_tls_group.selection_details   ? 
# 
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 GLY 1   ? A GLY 1   
2  1 Y 1 A ALA 2   ? A ALA 2   
3  1 Y 1 A LYS 116 ? A LYS 116 
4  1 Y 1 A SER 117 ? A SER 117 
5  1 Y 1 A ARG 118 ? A ARG 118 
6  1 Y 1 A GLY 119 ? A GLY 119 
7  1 Y 1 A GLY 120 ? A GLY 120 
8  1 Y 1 A SER 121 ? A SER 121 
9  1 Y 1 A GLY 122 ? A GLY 122 
10 1 Y 1 A GLY 123 ? A GLY 123 
11 1 Y 1 A TRP 124 ? A TRP 124 
12 1 Y 1 A SER 125 ? A SER 125 
13 1 Y 1 A HIS 126 ? A HIS 126 
14 1 Y 1 A PRO 127 ? A PRO 127 
15 1 Y 1 A GLN 128 ? A GLN 128 
16 1 Y 1 A PHE 129 ? A PHE 129 
17 1 Y 1 A GLU 130 ? A GLU 130 
18 1 Y 1 A LYS 131 ? A LYS 131 
# 
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 
TY2 N    N N N 334 
TY2 CA   C N S 335 
TY2 C    C N N 336 
TY2 O    O N N 337 
TY2 CB   C N N 338 
TY2 CG   C Y N 339 
TY2 CD1  C Y N 340 
TY2 CD2  C Y N 341 
TY2 CE1  C Y N 342 
TY2 CE2  C Y N 343 
TY2 CZ   C Y N 344 
TY2 OH   O N N 345 
TY2 NE2  N N N 346 
TY2 OXT  O N N 347 
TY2 H    H N N 348 
TY2 H2   H N N 349 
TY2 HA   H N N 350 
TY2 HA1  H N N 351 
TY2 HB2  H N N 352 
TY2 HXT  H N N 353 
TY2 HD1  H N N 354 
TY2 HC   H N N 355 
TY2 HD   H N N 356 
TY2 HE21 H N N 357 
TY2 HE22 H N N 358 
TY2 HH   H N N 359 
TYR N    N N N 360 
TYR CA   C N S 361 
TYR C    C N N 362 
TYR O    O N N 363 
TYR CB   C N N 364 
TYR CG   C Y N 365 
TYR CD1  C Y N 366 
TYR CD2  C Y N 367 
TYR CE1  C Y N 368 
TYR CE2  C Y N 369 
TYR CZ   C Y N 370 
TYR OH   O N N 371 
TYR OXT  O N N 372 
TYR H    H N N 373 
TYR H2   H N N 374 
TYR HA   H N N 375 
TYR HB2  H N N 376 
TYR HB3  H N N 377 
TYR HD1  H N N 378 
TYR HD2  H N N 379 
TYR HE1  H N N 380 
TYR HE2  H N N 381 
TYR HH   H N N 382 
TYR HXT  H N N 383 
VAL N    N N N 384 
VAL CA   C N S 385 
VAL C    C N N 386 
VAL O    O N N 387 
VAL CB   C N N 388 
VAL CG1  C N N 389 
VAL CG2  C N N 390 
VAL OXT  O N N 391 
VAL H    H N N 392 
VAL H2   H N N 393 
VAL HA   H N N 394 
VAL HB   H N N 395 
VAL HG11 H N N 396 
VAL HG12 H N N 397 
VAL HG13 H N N 398 
VAL HG21 H N N 399 
VAL HG22 H N N 400 
VAL HG23 H N N 401 
VAL HXT  H N N 402 
# 
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 
TY2 N   CA   sing N N 321 
TY2 CA  C    sing N N 322 
TY2 CA  CB   sing N N 323 
TY2 C   O    doub N N 324 
TY2 C   OXT  sing N N 325 
TY2 CB  CG   sing N N 326 
TY2 CG  CD1  sing Y N 327 
TY2 CG  CD2  doub Y N 328 
TY2 CD1 CE1  doub Y N 329 
TY2 CD2 CE2  sing Y N 330 
TY2 CE1 CZ   sing Y N 331 
TY2 CE2 CZ   doub Y N 332 
TY2 CE2 NE2  sing N N 333 
TY2 CZ  OH   sing N N 334 
TY2 N   H    sing N N 335 
TY2 N   H2   sing N N 336 
TY2 CA  HA   sing N N 337 
TY2 CB  HA1  sing N N 338 
TY2 CB  HB2  sing N N 339 
TY2 OXT HXT  sing N N 340 
TY2 CD1 HD1  sing N N 341 
TY2 CD2 HC   sing N N 342 
TY2 CE1 HD   sing N N 343 
TY2 NE2 HE21 sing N N 344 
TY2 NE2 HE22 sing N N 345 
TY2 OH  HH   sing N N 346 
TYR N   CA   sing N N 347 
TYR N   H    sing N N 348 
TYR N   H2   sing N N 349 
TYR CA  C    sing N N 350 
TYR CA  CB   sing N N 351 
TYR CA  HA   sing N N 352 
TYR C   O    doub N N 353 
TYR C   OXT  sing N N 354 
TYR CB  CG   sing N N 355 
TYR CB  HB2  sing N N 356 
TYR CB  HB3  sing N N 357 
TYR CG  CD1  doub Y N 358 
TYR CG  CD2  sing Y N 359 
TYR CD1 CE1  sing Y N 360 
TYR CD1 HD1  sing N N 361 
TYR CD2 CE2  doub Y N 362 
TYR CD2 HD2  sing N N 363 
TYR CE1 CZ   doub Y N 364 
TYR CE1 HE1  sing N N 365 
TYR CE2 CZ   sing Y N 366 
TYR CE2 HE2  sing N N 367 
TYR CZ  OH   sing N N 368 
TYR OH  HH   sing N N 369 
TYR OXT HXT  sing N N 370 
VAL N   CA   sing N N 371 
VAL N   H    sing N N 372 
VAL N   H2   sing N N 373 
VAL CA  C    sing N N 374 
VAL CA  CB   sing N N 375 
VAL CA  HA   sing N N 376 
VAL C   O    doub N N 377 
VAL C   OXT  sing N N 378 
VAL CB  CG1  sing N N 379 
VAL CB  CG2  sing N N 380 
VAL CB  HB   sing N N 381 
VAL CG1 HG11 sing N N 382 
VAL CG1 HG12 sing N N 383 
VAL CG1 HG13 sing N N 384 
VAL CG2 HG21 sing N N 385 
VAL CG2 HG22 sing N N 386 
VAL CG2 HG23 sing N N 387 
VAL OXT HXT  sing N N 388 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'European Research Council (ERC)'                        'European Union' 885396          1 
'Netherlands Organisation for Scientific Research (NWO)' Netherlands      OCENW.KLEIN.143 2 
# 
_atom_sites.entry_id                    9H87 
_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]   0.014141 
_atom_sites.fract_transf_matrix[1][2]   0.008165 
_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]   0.016329 
_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]   0.016712 
_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   . GLU A 1 3   ? 7.364   21.692 3.337   1.00 106.23 ? 3   GLU A N   1 
ATOM   2   C CA  . GLU A 1 3   ? 5.879   21.755 3.330   1.00 109.69 ? 3   GLU A CA  1 
ATOM   3   C C   . GLU A 1 3   ? 5.358   21.300 1.972   1.00 105.33 ? 3   GLU A C   1 
ATOM   4   O O   . GLU A 1 3   ? 6.138   20.966 1.085   1.00 114.75 ? 3   GLU A O   1 
ATOM   5   C CB  . GLU A 1 3   ? 5.412   23.191 3.538   1.00 109.92 ? 3   GLU A CB  1 
ATOM   6   C CG  . GLU A 1 3   ? 5.857   24.104 2.400   1.00 115.13 ? 3   GLU A CG  1 
ATOM   7   C CD  . GLU A 1 3   ? 5.085   25.411 2.340   1.00 126.37 ? 3   GLU A CD  1 
ATOM   8   O OE1 . GLU A 1 3   ? 4.187   25.586 3.192   1.00 127.43 ? 3   GLU A OE1 1 
ATOM   9   O OE2 . GLU A 1 3   ? 5.373   26.254 1.457   1.00 120.06 ? 3   GLU A OE2 1 
ATOM   10  N N   . ILE A 1 4   ? 4.029   21.272 1.816   1.00 96.47  ? 4   ILE A N   1 
ATOM   11  C CA  . ILE A 1 4   ? 3.423   21.125 0.501   1.00 78.82  ? 4   ILE A CA  1 
ATOM   12  C C   . ILE A 1 4   ? 3.077   22.536 0.032   1.00 73.13  ? 4   ILE A C   1 
ATOM   13  O O   . ILE A 1 4   ? 2.357   23.250 0.729   1.00 72.10  ? 4   ILE A O   1 
ATOM   14  C CB  . ILE A 1 4   ? 2.182   20.221 0.538   1.00 86.08  ? 4   ILE A CB  1 
ATOM   15  C CG1 . ILE A 1 4   ? 2.484   18.815 0.966   1.00 84.65  ? 4   ILE A CG1 1 
ATOM   16  C CG2 . ILE A 1 4   ? 1.464   20.222 -0.810  1.00 89.77  ? 4   ILE A CG2 1 
ATOM   17  C CD1 . ILE A 1 4   ? 3.314   18.062 -0.042  1.00 93.99  ? 4   ILE A CD1 1 
ATOM   18  N N   . PRO A 1 5   ? 3.609   23.015 -1.110  1.00 67.98  ? 5   PRO A N   1 
ATOM   19  C CA  . PRO A 1 5   ? 3.281   24.374 -1.565  1.00 68.98  ? 5   PRO A CA  1 
ATOM   20  C C   . PRO A 1 5   ? 1.776   24.548 -1.804  1.00 75.61  ? 5   PRO A C   1 
ATOM   21  O O   . PRO A 1 5   ? 1.092   23.645 -2.304  1.00 69.98  ? 5   PRO A O   1 
ATOM   22  C CB  . PRO A 1 5   ? 4.103   24.509 -2.859  1.00 64.94  ? 5   PRO A CB  1 
ATOM   23  C CG  . PRO A 1 5   ? 4.284   23.089 -3.317  1.00 68.22  ? 5   PRO A CG  1 
ATOM   24  C CD  . PRO A 1 5   ? 4.436   22.242 -2.054  1.00 60.66  ? 5   PRO A CD  1 
ATOM   25  N N   . LYS A 1 6   ? 1.270   25.732 -1.453  1.00 76.45  ? 6   LYS A N   1 
ATOM   26  C CA  . LYS A 1 6   ? -0.115  26.077 -1.708  1.00 86.44  ? 6   LYS A CA  1 
ATOM   27  C C   . LYS A 1 6   ? -0.526  25.655 -3.112  1.00 77.65  ? 6   LYS A C   1 
ATOM   28  O O   . LYS A 1 6   ? -1.605  25.116 -3.283  1.00 74.82  ? 6   LYS A O   1 
ATOM   29  C CB  . LYS A 1 6   ? -0.354  27.559 -1.392  1.00 95.53  ? 6   LYS A CB  1 
ATOM   30  C CG  . LYS A 1 6   ? -0.598  27.670 0.106   1.00 111.34 ? 6   LYS A CG  1 
ATOM   31  C CD  . LYS A 1 6   ? -0.559  29.042 0.766   1.00 128.12 ? 6   LYS A CD  1 
ATOM   32  C CE  . LYS A 1 6   ? -0.339  28.883 2.248   1.00 127.00 ? 6   LYS A CE  1 
ATOM   33  N NZ  . LYS A 1 6   ? -0.833  30.030 3.009   1.00 120.18 ? 6   LYS A NZ  1 
ATOM   34  N N   . GLU A 1 7   ? 0.331   25.841 -4.115  1.00 69.27  ? 7   GLU A N   1 
ATOM   35  C CA  . GLU A 1 7   ? -0.149  25.612 -5.467  1.00 67.31  ? 7   GLU A CA  1 
ATOM   36  C C   . GLU A 1 7   ? -0.490  24.128 -5.595  1.00 72.99  ? 7   GLU A C   1 
ATOM   37  O O   . GLU A 1 7   ? -1.354  23.767 -6.391  1.00 59.96  ? 7   GLU A O   1 
ATOM   38  C CB  . GLU A 1 7   ? 0.759   25.980 -6.642  1.00 69.35  ? 7   GLU A CB  1 
ATOM   39  C CG  . GLU A 1 7   ? 1.551   27.269 -6.445  1.00 95.85  ? 7   GLU A CG  1 
ATOM   40  C CD  . GLU A 1 7   ? 2.716   27.116 -5.474  1.00 103.89 ? 7   GLU A CD  1 
ATOM   41  O OE1 . GLU A 1 7   ? 3.638   26.294 -5.743  1.00 97.10  ? 7   GLU A OE1 1 
ATOM   42  O OE2 . GLU A 1 7   ? 2.666   27.805 -4.424  1.00 104.96 ? 7   GLU A OE2 1 
ATOM   43  N N   . MET A 1 8   ? 0.239   23.275 -4.856  1.00 66.14  ? 8   MET A N   1 
ATOM   44  C CA  . MET A 1 8   ? 0.073   21.845 -4.996  1.00 66.32  ? 8   MET A CA  1 
ATOM   45  C C   . MET A 1 8   ? -1.209  21.365 -4.299  1.00 61.33  ? 8   MET A C   1 
ATOM   46  O O   . MET A 1 8   ? -1.883  20.466 -4.806  1.00 55.01  ? 8   MET A O   1 
ATOM   47  C CB  . MET A 1 8   ? 1.297   21.092 -4.462  1.00 62.54  ? 8   MET A CB  1 
ATOM   48  C CG  . MET A 1 8   ? 1.313   19.648 -4.927  1.00 68.34  ? 8   MET A CG  1 
ATOM   49  S SD  . MET A 1 8   ? 2.765   18.661 -4.496  1.00 72.20  ? 8   MET A SD  1 
ATOM   50  C CE  . MET A 1 8   ? 3.971   19.266 -5.681  1.00 78.32  ? 8   MET A CE  1 
ATOM   51  N N   . LEU A 1 9   ? -1.454  21.908 -3.105  1.00 56.72  ? 9   LEU A N   1 
ATOM   52  C CA  . LEU A 1 9   ? -2.687  21.751 -2.361  1.00 65.53  ? 9   LEU A CA  1 
ATOM   53  C C   . LEU A 1 9   ? -3.871  22.093 -3.256  1.00 61.76  ? 9   LEU A C   1 
ATOM   54  O O   . LEU A 1 9   ? -4.768  21.273 -3.432  1.00 66.45  ? 9   LEU A O   1 
ATOM   55  C CB  . LEU A 1 9   ? -2.564  22.688 -1.167  1.00 68.05  ? 9   LEU A CB  1 
ATOM   56  C CG  . LEU A 1 9   ? -1.461  22.312 -0.175  1.00 90.05  ? 9   LEU A CG  1 
ATOM   57  C CD1 . LEU A 1 9   ? -1.126  23.299 0.961   1.00 99.24  ? 9   LEU A CD1 1 
ATOM   58  C CD2 . LEU A 1 9   ? -1.933  20.964 0.352   1.00 96.50  ? 9   LEU A CD2 1 
ATOM   59  N N   . ARG A 1 10  ? -3.785  23.261 -3.909  1.00 59.72  ? 10  ARG A N   1 
ATOM   60  C CA  . ARG A 1 10  ? -4.854  23.749 -4.750  1.00 62.71  ? 10  ARG A CA  1 
ATOM   61  C C   . ARG A 1 10  ? -5.094  22.744 -5.873  1.00 64.51  ? 10  ARG A C   1 
ATOM   62  O O   . ARG A 1 10  ? -6.241  22.394 -6.188  1.00 55.95  ? 10  ARG A O   1 
ATOM   63  C CB  . ARG A 1 10  ? -4.570  25.199 -5.161  1.00 60.93  ? 10  ARG A CB  1 
ATOM   64  C CG  . ARG A 1 10  ? -5.590  25.712 -6.165  1.00 67.30  ? 10  ARG A CG  1 
ATOM   65  C CD  . ARG A 1 10  ? -7.050  25.787 -5.677  1.00 75.46  ? 10  ARG A CD  1 
ATOM   66  N NE  . ARG A 1 10  ? -7.850  26.010 -6.889  1.00 88.34  ? 10  ARG A NE  1 
ATOM   67  C CZ  . ARG A 1 10  ? -8.362  27.155 -7.356  1.00 79.79  ? 10  ARG A CZ  1 
ATOM   68  N NH1 . ARG A 1 10  ? -8.474  28.207 -6.585  1.00 74.98  ? 10  ARG A NH1 1 
ATOM   69  N NH2 . ARG A 1 10  ? -8.840  27.209 -8.588  1.00 90.66  ? 10  ARG A NH2 1 
ATOM   70  N N   . ALA A 1 11  ? -4.000  22.258 -6.455  1.00 55.47  ? 11  ALA A N   1 
ATOM   71  C CA  . ALA A 1 11  ? -4.083  21.283 -7.526  1.00 55.87  ? 11  ALA A CA  1 
ATOM   72  C C   . ALA A 1 11  ? -4.758  20.010 -7.030  1.00 58.60  ? 11  ALA A C   1 
ATOM   73  O O   . ALA A 1 11  ? -5.549  19.398 -7.754  1.00 58.40  ? 11  ALA A O   1 
ATOM   74  C CB  . ALA A 1 11  ? -2.705  20.970 -8.090  1.00 59.55  ? 11  ALA A CB  1 
ATOM   75  N N   . GLN A 1 12  ? -4.432  19.615 -5.801  1.00 56.09  ? 12  GLN A N   1 
ATOM   76  C CA  . GLN A 1 12  ? -5.020  18.415 -5.230  1.00 61.18  ? 12  GLN A CA  1 
ATOM   77  C C   . GLN A 1 12  ? -6.525  18.571 -5.047  1.00 60.52  ? 12  GLN A C   1 
ATOM   78  O O   . GLN A 1 12  ? -7.266  17.668 -5.389  1.00 55.90  ? 12  GLN A O   1 
ATOM   79  C CB  . GLN A 1 12  ? -4.357  18.094 -3.900  1.00 57.84  ? 12  GLN A CB  1 
ATOM   80  C CG  . GLN A 1 12  ? -2.963  17.531 -4.129  1.00 61.36  ? 12  GLN A CG  1 
ATOM   81  C CD  . GLN A 1 12  ? -2.108  17.467 -2.886  1.00 64.20  ? 12  GLN A CD  1 
ATOM   82  O OE1 . GLN A 1 12  ? -2.414  18.053 -1.842  1.00 66.68  ? 12  GLN A OE1 1 
ATOM   83  N NE2 . GLN A 1 12  ? -0.963  16.820 -3.022  1.00 65.60  ? 12  GLN A NE2 1 
ATOM   84  N N   . THR A 1 13  ? -6.924  19.693 -4.443  1.00 56.17  ? 13  THR A N   1 
ATOM   85  C CA  . THR A 1 13  ? -8.300  19.989 -4.118  1.00 58.26  ? 13  THR A CA  1 
ATOM   86  C C   . THR A 1 13  ? -9.056  20.067 -5.429  1.00 59.61  ? 13  THR A C   1 
ATOM   87  O O   . THR A 1 13  ? -10.089 19.414 -5.553  1.00 54.87  ? 13  THR A O   1 
ATOM   88  C CB  . THR A 1 13  ? -8.414  21.270 -3.308  1.00 56.12  ? 13  THR A CB  1 
ATOM   89  O OG1 . THR A 1 13  ? -7.685  20.914 -2.146  1.00 57.98  ? 13  THR A OG1 1 
ATOM   90  C CG2 . THR A 1 13  ? -9.827  21.570 -2.838  1.00 58.38  ? 13  THR A CG2 1 
ATOM   91  N N   . ASN A 1 14  ? -8.462  20.721 -6.438  1.00 53.31  ? 14  ASN A N   1 
ATOM   92  C CA  . ASN A 1 14  ? -9.131  20.759 -7.719  1.00 53.40  ? 14  ASN A CA  1 
ATOM   93  C C   . ASN A 1 14  ? -9.469  19.361 -8.196  1.00 61.88  ? 14  ASN A C   1 
ATOM   94  O O   . ASN A 1 14  ? -10.606 19.090 -8.585  1.00 52.61  ? 14  ASN A O   1 
ATOM   95  C CB  . ASN A 1 14  ? -8.387  21.478 -8.813  1.00 55.60  ? 14  ASN A CB  1 
ATOM   96  C CG  . ASN A 1 14  ? -8.691  22.954 -8.749  1.00 67.76  ? 14  ASN A CG  1 
ATOM   97  O OD1 . ASN A 1 14  ? -9.037  23.493 -7.693  1.00 66.03  ? 14  ASN A OD1 1 
ATOM   98  N ND2 . ASN A 1 14  ? -8.584  23.616 -9.881  1.00 81.83  ? 14  ASN A ND2 1 
HETATM 99  N N   . TY2 A 1 15  ? -8.455  18.507 -8.205  1.00 57.97  ? 15  TY2 A N   1 
HETATM 100 C CA  . TY2 A 1 15  ? -8.561  17.187 -8.791  1.00 59.38  ? 15  TY2 A CA  1 
HETATM 101 C C   . TY2 A 1 15  ? -9.672  16.382 -8.122  1.00 57.84  ? 15  TY2 A C   1 
HETATM 102 O O   . TY2 A 1 15  ? -10.436 15.676 -8.767  1.00 55.42  ? 15  TY2 A O   1 
HETATM 103 C CB  . TY2 A 1 15  ? -7.218  16.482 -8.648  1.00 58.52  ? 15  TY2 A CB  1 
HETATM 104 C CG  . TY2 A 1 15  ? -7.167  15.077 -9.195  1.00 56.68  ? 15  TY2 A CG  1 
HETATM 105 C CD1 . TY2 A 1 15  ? -6.690  14.047 -8.418  1.00 59.12  ? 15  TY2 A CD1 1 
HETATM 106 C CD2 . TY2 A 1 15  ? -7.532  14.795 -10.501 1.00 63.78  ? 15  TY2 A CD2 1 
HETATM 107 C CE1 . TY2 A 1 15  ? -6.559  12.766 -8.899  1.00 68.23  ? 15  TY2 A CE1 1 
HETATM 108 C CE2 . TY2 A 1 15  ? -7.430  13.503 -11.003 1.00 71.00  ? 15  TY2 A CE2 1 
HETATM 109 C CZ  . TY2 A 1 15  ? -6.944  12.468 -10.199 1.00 72.66  ? 15  TY2 A CZ  1 
HETATM 110 O OH  . TY2 A 1 15  ? -6.855  11.159 -10.658 1.00 68.96  ? 15  TY2 A OH  1 
HETATM 111 N NE2 . TY2 A 1 15  ? -7.824  13.219 -12.287 1.00 70.23  ? 15  TY2 A NE2 1 
ATOM   112 N N   . ILE A 1 16  ? -9.682  16.451 -6.803  1.00 56.32  ? 16  ILE A N   1 
ATOM   113 C CA  . ILE A 1 16  ? -10.608 15.723 -5.975  1.00 54.09  ? 16  ILE A CA  1 
ATOM   114 C C   . ILE A 1 16  ? -12.040 16.179 -6.294  1.00 65.30  ? 16  ILE A C   1 
ATOM   115 O O   . ILE A 1 16  ? -12.915 15.351 -6.512  1.00 58.13  ? 16  ILE A O   1 
ATOM   116 C CB  . ILE A 1 16  ? -10.228 15.962 -4.500  1.00 55.51  ? 16  ILE A CB  1 
ATOM   117 C CG1 . ILE A 1 16  ? -8.908  15.237 -4.140  1.00 58.45  ? 16  ILE A CG1 1 
ATOM   118 C CG2 . ILE A 1 16  ? -11.359 15.524 -3.563  1.00 61.74  ? 16  ILE A CG2 1 
ATOM   119 C CD1 . ILE A 1 16  ? -8.383  15.592 -2.765  1.00 59.39  ? 16  ILE A CD1 1 
ATOM   120 N N   . LEU A 1 17  ? -12.255 17.499 -6.284  1.00 56.40  ? 17  LEU A N   1 
ATOM   121 C CA  . LEU A 1 17  ? -13.563 18.097 -6.494  1.00 58.92  ? 17  LEU A CA  1 
ATOM   122 C C   . LEU A 1 17  ? -14.073 17.745 -7.871  1.00 58.82  ? 17  LEU A C   1 
ATOM   123 O O   . LEU A 1 17  ? -15.261 17.450 -8.013  1.00 57.47  ? 17  LEU A O   1 
ATOM   124 C CB  . LEU A 1 17  ? -13.505 19.612 -6.339  1.00 53.74  ? 17  LEU A CB  1 
ATOM   125 C CG  . LEU A 1 17  ? -13.318 20.075 -4.892  1.00 56.50  ? 17  LEU A CG  1 
ATOM   126 C CD1 . LEU A 1 17  ? -13.114 21.577 -4.859  1.00 58.40  ? 17  LEU A CD1 1 
ATOM   127 C CD2 . LEU A 1 17  ? -14.519 19.661 -4.051  1.00 57.30  ? 17  LEU A CD2 1 
ATOM   128 N N   . LEU A 1 18  ? -13.191 17.772 -8.871  1.00 52.68  ? 18  LEU A N   1 
ATOM   129 C CA  . LEU A 1 18  ? -13.668 17.412 -10.191 1.00 55.00  ? 18  LEU A CA  1 
ATOM   130 C C   . LEU A 1 18  ? -14.056 15.933 -10.200 1.00 64.96  ? 18  LEU A C   1 
ATOM   131 O O   . LEU A 1 18  ? -15.024 15.582 -10.871 1.00 58.33  ? 18  LEU A O   1 
ATOM   132 C CB  . LEU A 1 18  ? -12.681 17.746 -11.294 1.00 53.38  ? 18  LEU A CB  1 
ATOM   133 C CG  . LEU A 1 18  ? -12.336 19.222 -11.491 1.00 63.56  ? 18  LEU A CG  1 
ATOM   134 C CD1 . LEU A 1 18  ? -11.142 19.335 -12.489 1.00 61.42  ? 18  LEU A CD1 1 
ATOM   135 C CD2 . LEU A 1 18  ? -13.567 20.031 -11.936 1.00 61.36  ? 18  LEU A CD2 1 
ATOM   136 N N   . ASN A 1 19  ? -13.323 15.073 -9.452  1.00 61.63  ? 19  ASN A N   1 
ATOM   137 C CA  . ASN A 1 19  ? -13.664 13.656 -9.433  1.00 65.71  ? 19  ASN A CA  1 
ATOM   138 C C   . ASN A 1 19  ? -14.966 13.394 -8.681  1.00 66.56  ? 19  ASN A C   1 
ATOM   139 O O   . ASN A 1 19  ? -15.590 12.371 -8.897  1.00 73.24  ? 19  ASN A O   1 
ATOM   140 C CB  . ASN A 1 19  ? -12.533 12.763 -8.923  1.00 62.48  ? 19  ASN A CB  1 
ATOM   141 C CG  . ASN A 1 19  ? -11.564 12.454 -10.039 1.00 61.87  ? 19  ASN A CG  1 
ATOM   142 O OD1 . ASN A 1 19  ? -11.747 11.483 -10.778 1.00 64.10  ? 19  ASN A OD1 1 
ATOM   143 N ND2 . ASN A 1 19  ? -10.560 13.306 -10.235 1.00 62.45  ? 19  ASN A ND2 1 
ATOM   144 N N   . VAL A 1 20  ? -15.383 14.294 -7.787  1.00 66.68  ? 20  VAL A N   1 
ATOM   145 C CA  . VAL A 1 20  ? -16.686 14.164 -7.170  1.00 67.83  ? 20  VAL A CA  1 
ATOM   146 C C   . VAL A 1 20  ? -17.785 14.437 -8.193  1.00 68.68  ? 20  VAL A C   1 
ATOM   147 O O   . VAL A 1 20  ? -18.754 13.692 -8.285  1.00 75.57  ? 20  VAL A O   1 
ATOM   148 C CB  . VAL A 1 20  ? -16.834 15.096 -5.967  1.00 69.40  ? 20  VAL A CB  1 
ATOM   149 C CG1 . VAL A 1 20  ? -18.283 15.109 -5.461  1.00 66.45  ? 20  VAL A CG1 1 
ATOM   150 C CG2 . VAL A 1 20  ? -15.856 14.686 -4.884  1.00 60.60  ? 20  VAL A CG2 1 
ATOM   151 N N   . LEU A 1 21  ? -17.608 15.485 -8.988  1.00 61.26  ? 21  LEU A N   1 
ATOM   152 C CA  . LEU A 1 21  ? -18.577 15.817 -10.011 1.00 63.27  ? 21  LEU A CA  1 
ATOM   153 C C   . LEU A 1 21  ? -18.667 14.730 -11.068 1.00 67.86  ? 21  LEU A C   1 
ATOM   154 O O   . LEU A 1 21  ? -19.750 14.462 -11.580 1.00 69.42  ? 21  LEU A O   1 
ATOM   155 C CB  . LEU A 1 21  ? -18.225 17.161 -10.626 1.00 58.36  ? 21  LEU A CB  1 
ATOM   156 C CG  . LEU A 1 21  ? -18.376 18.325 -9.656  1.00 58.19  ? 21  LEU A CG  1 
ATOM   157 C CD1 . LEU A 1 21  ? -18.152 19.630 -10.418 1.00 58.07  ? 21  LEU A CD1 1 
ATOM   158 C CD2 . LEU A 1 21  ? -19.725 18.293 -8.957  1.00 66.31  ? 21  LEU A CD2 1 
ATOM   159 N N   . LYS A 1 22  ? -17.510 14.188 -11.434 1.00 72.43  ? 22  LYS A N   1 
ATOM   160 C CA  . LYS A 1 22  ? -17.413 13.010 -12.278 1.00 72.47  ? 22  LYS A CA  1 
ATOM   161 C C   . LYS A 1 22  ? -18.411 11.941 -11.829 1.00 71.26  ? 22  LYS A C   1 
ATOM   162 O O   . LYS A 1 22  ? -18.996 11.286 -12.674 1.00 68.33  ? 22  LYS A O   1 
ATOM   163 C CB  . LYS A 1 22  ? -16.009 12.401 -12.182 1.00 78.97  ? 22  LYS A CB  1 
ATOM   164 C CG  . LYS A 1 22  ? -15.548 11.608 -13.387 1.00 89.92  ? 22  LYS A CG  1 
ATOM   165 C CD  . LYS A 1 22  ? -15.161 12.478 -14.578 1.00 100.28 ? 22  LYS A CD  1 
ATOM   166 C CE  . LYS A 1 22  ? -14.143 11.803 -15.455 1.00 115.66 ? 22  LYS A CE  1 
ATOM   167 N NZ  . LYS A 1 22  ? -14.015 12.462 -16.758 1.00 123.14 ? 22  LYS A NZ  1 
ATOM   168 N N   . GLN A 1 23  ? -18.567 11.759 -10.509 1.00 64.74  ? 23  GLN A N   1 
ATOM   169 C CA  . GLN A 1 23  ? -19.428 10.743 -9.955  1.00 70.50  ? 23  GLN A CA  1 
ATOM   170 C C   . GLN A 1 23  ? -20.890 11.156 -10.073 1.00 72.91  ? 23  GLN A C   1 
ATOM   171 O O   . GLN A 1 23  ? -21.741 10.317 -9.849  1.00 81.44  ? 23  GLN A O   1 
ATOM   172 C CB  . GLN A 1 23  ? -19.219 10.486 -8.462  1.00 77.20  ? 23  GLN A CB  1 
ATOM   173 C CG  . GLN A 1 23  ? -17.778 10.215 -8.072  1.00 82.95  ? 23  GLN A CG  1 
ATOM   174 C CD  . GLN A 1 23  ? -17.164 9.110  -8.905  1.00 91.30  ? 23  GLN A CD  1 
ATOM   175 O OE1 . GLN A 1 23  ? -17.664 7.977  -8.964  1.00 99.72  ? 23  GLN A OE1 1 
ATOM   176 N NE2 . GLN A 1 23  ? -16.088 9.451  -9.594  1.00 92.00  ? 23  GLN A NE2 1 
ATOM   177 N N   . GLY A 1 24  ? -21.164 12.450 -10.312 1.00 74.16  ? 24  GLY A N   1 
ATOM   178 C CA  . GLY A 1 24  ? -22.525 12.945 -10.440 1.00 68.78  ? 24  GLY A CA  1 
ATOM   179 C C   . GLY A 1 24  ? -22.605 14.431 -10.094 1.00 67.91  ? 24  GLY A C   1 
ATOM   180 O O   . GLY A 1 24  ? -21.805 14.933 -9.291  1.00 66.10  ? 24  GLY A O   1 
ATOM   181 N N   . ASP A 1 25  ? -23.589 15.101 -10.722 1.00 61.10  ? 25  ASP A N   1 
ATOM   182 C CA  . ASP A 1 25  ? -23.982 16.454 -10.403 1.00 57.30  ? 25  ASP A CA  1 
ATOM   183 C C   . ASP A 1 25  ? -24.138 16.537 -8.899  1.00 64.49  ? 25  ASP A C   1 
ATOM   184 O O   . ASP A 1 25  ? -24.556 15.546 -8.307  1.00 61.73  ? 25  ASP A O   1 
ATOM   185 C CB  . ASP A 1 25  ? -25.276 16.835 -11.084 1.00 61.41  ? 25  ASP A CB  1 
ATOM   186 C CG  . ASP A 1 25  ? -25.125 16.918 -12.583 1.00 64.95  ? 25  ASP A CG  1 
ATOM   187 O OD1 . ASP A 1 25  ? -24.065 16.468 -13.032 1.00 58.64  ? 25  ASP A OD1 1 
ATOM   188 O OD2 . ASP A 1 25  ? -26.046 17.440 -13.269 1.00 64.63  ? 25  ASP A OD2 1 
ATOM   189 N N   . ASN A 1 26  ? -23.683 17.640 -8.276  1.00 61.14  ? 26  ASN A N   1 
ATOM   190 C CA  . ASN A 1 26  ? -23.771 17.695 -6.820  1.00 57.88  ? 26  ASN A CA  1 
ATOM   191 C C   . ASN A 1 26  ? -23.825 19.148 -6.372  1.00 57.75  ? 26  ASN A C   1 
ATOM   192 O O   . ASN A 1 26  ? -23.596 20.048 -7.166  1.00 53.96  ? 26  ASN A O   1 
ATOM   193 C CB  . ASN A 1 26  ? -22.628 16.884 -6.228  1.00 57.80  ? 26  ASN A CB  1 
ATOM   194 C CG  . ASN A 1 26  ? -22.952 16.236 -4.907  1.00 61.70  ? 26  ASN A CG  1 
ATOM   195 O OD1 . ASN A 1 26  ? -23.754 16.761 -4.131  1.00 57.10  ? 26  ASN A OD1 1 
ATOM   196 N ND2 . ASN A 1 26  ? -22.250 15.157 -4.585  1.00 68.30  ? 26  ASN A ND2 1 
ATOM   197 N N   . TYR A 1 27  ? -24.126 19.353 -5.097  1.00 57.94  ? 27  TYR A N   1 
ATOM   198 C CA  . TYR A 1 27  ? -24.213 20.685 -4.522  1.00 61.35  ? 27  TYR A CA  1 
ATOM   199 C C   . TYR A 1 27  ? -23.213 20.710 -3.363  1.00 61.79  ? 27  TYR A C   1 
ATOM   200 O O   . TYR A 1 27  ? -22.717 19.659 -2.933  1.00 62.13  ? 27  TYR A O   1 
ATOM   201 C CB  . TYR A 1 27  ? -25.672 21.003 -4.118  1.00 58.45  ? 27  TYR A CB  1 
ATOM   202 C CG  . TYR A 1 27  ? -26.112 20.368 -2.807  1.00 58.78  ? 27  TYR A CG  1 
ATOM   203 C CD1 . TYR A 1 27  ? -26.366 19.000 -2.696  1.00 68.67  ? 27  TYR A CD1 1 
ATOM   204 C CD2 . TYR A 1 27  ? -26.279 21.135 -1.678  1.00 58.15  ? 27  TYR A CD2 1 
ATOM   205 C CE1 . TYR A 1 27  ? -26.763 18.425 -1.493  1.00 64.35  ? 27  TYR A CE1 1 
ATOM   206 C CE2 . TYR A 1 27  ? -26.637 20.577 -0.465  1.00 62.69  ? 27  TYR A CE2 1 
ATOM   207 C CZ  . TYR A 1 27  ? -26.874 19.218 -0.365  1.00 68.07  ? 27  TYR A CZ  1 
ATOM   208 O OH  . TYR A 1 27  ? -27.170 18.713 0.869   1.00 72.63  ? 27  TYR A OH  1 
ATOM   209 N N   . VAL A 1 28  ? -22.987 21.903 -2.817  1.00 55.76  ? 28  VAL A N   1 
ATOM   210 C CA  . VAL A 1 28  ? -21.919 22.162 -1.845  1.00 60.32  ? 28  VAL A CA  1 
ATOM   211 C C   . VAL A 1 28  ? -21.949 21.108 -0.740  1.00 60.43  ? 28  VAL A C   1 
ATOM   212 O O   . VAL A 1 28  ? -20.904 20.545 -0.441  1.00 55.34  ? 28  VAL A O   1 
ATOM   213 C CB  . VAL A 1 28  ? -21.912 23.604 -1.262  1.00 61.34  ? 28  VAL A CB  1 
ATOM   214 C CG1 . VAL A 1 28  ? -23.290 24.050 -0.760  1.00 73.38  ? 28  VAL A CG1 1 
ATOM   215 C CG2 . VAL A 1 28  ? -20.849 23.850 -0.184  1.00 62.02  ? 28  VAL A CG2 1 
ATOM   216 N N   . TYR A 1 29  ? -23.099 20.854 -0.083  1.00 61.93  ? 29  TYR A N   1 
ATOM   217 C CA  . TYR A 1 29  ? -23.034 20.090 1.175   1.00 64.46  ? 29  TYR A CA  1 
ATOM   218 C C   . TYR A 1 29  ? -22.862 18.593 0.896   1.00 57.39  ? 29  TYR A C   1 
ATOM   219 O O   . TYR A 1 29  ? -22.237 17.884 1.692   1.00 58.47  ? 29  TYR A O   1 
ATOM   220 C CB  . TYR A 1 29  ? -24.128 20.391 2.210   1.00 60.64  ? 29  TYR A CB  1 
ATOM   221 C CG  . TYR A 1 29  ? -23.927 21.759 2.836   1.00 64.38  ? 29  TYR A CG  1 
ATOM   222 C CD1 . TYR A 1 29  ? -22.779 22.030 3.608   1.00 63.00  ? 29  TYR A CD1 1 
ATOM   223 C CD2 . TYR A 1 29  ? -24.816 22.806 2.573   1.00 63.00  ? 29  TYR A CD2 1 
ATOM   224 C CE1 . TYR A 1 29  ? -22.557 23.297 4.132   1.00 61.58  ? 29  TYR A CE1 1 
ATOM   225 C CE2 . TYR A 1 29  ? -24.589 24.075 3.091   1.00 63.83  ? 29  TYR A CE2 1 
ATOM   226 C CZ  . TYR A 1 29  ? -23.476 24.314 3.882   1.00 59.40  ? 29  TYR A CZ  1 
ATOM   227 O OH  . TYR A 1 29  ? -23.284 25.581 4.362   1.00 67.26  ? 29  TYR A OH  1 
ATOM   228 N N   . GLY A 1 30  ? -23.392 18.140 -0.245  1.00 58.35  ? 30  GLY A N   1 
ATOM   229 C CA  . GLY A 1 30  ? -23.150 16.802 -0.757  1.00 60.20  ? 30  GLY A CA  1 
ATOM   230 C C   . GLY A 1 30  ? -21.668 16.581 -1.073  1.00 65.49  ? 30  GLY A C   1 
ATOM   231 O O   . GLY A 1 30  ? -21.131 15.516 -0.786  1.00 60.64  ? 30  GLY A O   1 
ATOM   232 N N   . ILE A 1 31  ? -21.018 17.586 -1.686  1.00 62.34  ? 31  ILE A N   1 
ATOM   233 C CA  . ILE A 1 31  ? -19.627 17.460 -2.108  1.00 58.10  ? 31  ILE A CA  1 
ATOM   234 C C   . ILE A 1 31  ? -18.788 17.347 -0.851  1.00 57.29  ? 31  ILE A C   1 
ATOM   235 O O   . ILE A 1 31  ? -17.931 16.465 -0.699  1.00 58.65  ? 31  ILE A O   1 
ATOM   236 C CB  . ILE A 1 31  ? -19.223 18.660 -2.978  1.00 63.41  ? 31  ILE A CB  1 
ATOM   237 C CG1 . ILE A 1 31  ? -20.012 18.689 -4.287  1.00 65.30  ? 31  ILE A CG1 1 
ATOM   238 C CG2 . ILE A 1 31  ? -17.716 18.660 -3.229  1.00 64.75  ? 31  ILE A CG2 1 
ATOM   239 C CD1 . ILE A 1 31  ? -20.092 20.063 -4.938  1.00 64.28  ? 31  ILE A CD1 1 
ATOM   240 N N   . ILE A 1 32  ? -19.078 18.237 0.097   1.00 57.92  ? 32  ILE A N   1 
ATOM   241 C CA  . ILE A 1 32  ? -18.250 18.288 1.286   1.00 56.88  ? 32  ILE A CA  1 
ATOM   242 C C   . ILE A 1 32  ? -18.359 16.951 2.020   1.00 60.26  ? 32  ILE A C   1 
ATOM   243 O O   . ILE A 1 32  ? -17.347 16.352 2.394   1.00 56.29  ? 32  ILE A O   1 
ATOM   244 C CB  . ILE A 1 32  ? -18.606 19.501 2.148   1.00 56.06  ? 32  ILE A CB  1 
ATOM   245 C CG1 . ILE A 1 32  ? -18.224 20.821 1.408   1.00 60.71  ? 32  ILE A CG1 1 
ATOM   246 C CG2 . ILE A 1 32  ? -17.927 19.371 3.509   1.00 58.37  ? 32  ILE A CG2 1 
ATOM   247 C CD1 . ILE A 1 32  ? -18.660 22.096 2.124   1.00 61.96  ? 32  ILE A CD1 1 
ATOM   248 N N   . LYS A 1 33  ? -19.592 16.495 2.244   1.00 59.75  ? 33  LYS A N   1 
ATOM   249 C CA  . LYS A 1 33  ? -19.809 15.234 2.934   1.00 65.73  ? 33  LYS A CA  1 
ATOM   250 C C   . LYS A 1 33  ? -19.059 14.105 2.240   1.00 58.00  ? 33  LYS A C   1 
ATOM   251 O O   . LYS A 1 33  ? -18.412 13.306 2.895   1.00 63.41  ? 33  LYS A O   1 
ATOM   252 C CB  . LYS A 1 33  ? -21.301 14.878 2.928   1.00 75.41  ? 33  LYS A CB  1 
ATOM   253 C CG  . LYS A 1 33  ? -21.620 13.736 3.856   1.00 83.79  ? 33  LYS A CG  1 
ATOM   254 C CD  . LYS A 1 33  ? -23.105 13.525 4.122   1.00 94.88  ? 33  LYS A CD  1 
ATOM   255 C CE  . LYS A 1 33  ? -23.260 12.478 5.180   1.00 102.84 ? 33  LYS A CE  1 
ATOM   256 N NZ  . LYS A 1 33  ? -24.271 11.496 4.792   1.00 113.51 ? 33  LYS A NZ  1 
ATOM   257 N N   . GLN A 1 34  ? -19.199 14.015 0.911   1.00 58.58  ? 34  GLN A N   1 
ATOM   258 C CA  . GLN A 1 34  ? -18.530 12.964 0.155   1.00 65.58  ? 34  GLN A CA  1 
ATOM   259 C C   . GLN A 1 34  ? -17.009 13.038 0.301   1.00 73.04  ? 34  GLN A C   1 
ATOM   260 O O   . GLN A 1 34  ? -16.324 12.004 0.301   1.00 74.62  ? 34  GLN A O   1 
ATOM   261 C CB  . GLN A 1 34  ? -18.860 13.013 -1.337  1.00 71.65  ? 34  GLN A CB  1 
ATOM   262 C CG  . GLN A 1 34  ? -20.114 12.224 -1.730  1.00 83.41  ? 34  GLN A CG  1 
ATOM   263 C CD  . GLN A 1 34  ? -20.265 12.078 -3.231  1.00 85.63  ? 34  GLN A CD  1 
ATOM   264 O OE1 . GLN A 1 34  ? -21.125 12.705 -3.847  1.00 96.72  ? 34  GLN A OE1 1 
ATOM   265 N NE2 . GLN A 1 34  ? -19.398 11.296 -3.858  1.00 87.07  ? 34  GLN A NE2 1 
ATOM   266 N N   . VAL A 1 35  ? -16.449 14.253 0.336   1.00 63.55  ? 35  VAL A N   1 
ATOM   267 C CA  . VAL A 1 35  ? -15.000 14.383 0.444   1.00 67.04  ? 35  VAL A CA  1 
ATOM   268 C C   . VAL A 1 35  ? -14.569 13.954 1.845   1.00 68.63  ? 35  VAL A C   1 
ATOM   269 O O   . VAL A 1 35  ? -13.622 13.173 2.023   1.00 65.38  ? 35  VAL A O   1 
ATOM   270 C CB  . VAL A 1 35  ? -14.593 15.820 0.073   1.00 66.30  ? 35  VAL A CB  1 
ATOM   271 C CG1 . VAL A 1 35  ? -13.280 16.269 0.695   1.00 75.81  ? 35  VAL A CG1 1 
ATOM   272 C CG2 . VAL A 1 35  ? -14.593 15.953 -1.444  1.00 68.03  ? 35  VAL A CG2 1 
ATOM   273 N N   . LYS A 1 36  ? -15.337 14.405 2.838   1.00 66.78  ? 36  LYS A N   1 
ATOM   274 C CA  . LYS A 1 36  ? -15.061 14.043 4.221   1.00 76.67  ? 36  LYS A CA  1 
ATOM   275 C C   . LYS A 1 36  ? -15.108 12.523 4.435   1.00 80.68  ? 36  LYS A C   1 
ATOM   276 O O   . LYS A 1 36  ? -14.262 11.991 5.136   1.00 78.24  ? 36  LYS A O   1 
ATOM   277 C CB  . LYS A 1 36  ? -16.080 14.746 5.115   1.00 77.92  ? 36  LYS A CB  1 
ATOM   278 C CG  . LYS A 1 36  ? -15.829 14.573 6.588   1.00 84.55  ? 36  LYS A CG  1 
ATOM   279 C CD  . LYS A 1 36  ? -16.995 15.067 7.434   1.00 88.45  ? 36  LYS A CD  1 
ATOM   280 C CE  . LYS A 1 36  ? -16.599 15.299 8.861   1.00 92.22  ? 36  LYS A CE  1 
ATOM   281 N NZ  . LYS A 1 36  ? -16.048 14.100 9.495   1.00 93.22  ? 36  LYS A NZ  1 
ATOM   282 N N   . GLU A 1 37  ? -16.084 11.819 3.850   1.00 75.66  ? 37  GLU A N   1 
ATOM   283 C CA  . GLU A 1 37  ? -16.187 10.380 4.057   1.00 81.76  ? 37  GLU A CA  1 
ATOM   284 C C   . GLU A 1 37  ? -15.042 9.636  3.375   1.00 79.05  ? 37  GLU A C   1 
ATOM   285 O O   . GLU A 1 37  ? -14.445 8.726  3.938   1.00 79.05  ? 37  GLU A O   1 
ATOM   286 C CB  . GLU A 1 37  ? -17.546 9.864  3.592   1.00 85.03  ? 37  GLU A CB  1 
ATOM   287 C CG  . GLU A 1 37  ? -18.597 10.000 4.691   1.00 91.54  ? 37  GLU A CG  1 
ATOM   288 C CD  . GLU A 1 37  ? -20.033 9.987  4.200   1.00 105.05 ? 37  GLU A CD  1 
ATOM   289 O OE1 . GLU A 1 37  ? -20.220 10.006 2.962   1.00 98.57  ? 37  GLU A OE1 1 
ATOM   290 O OE2 . GLU A 1 37  ? -20.963 9.966  5.043   1.00 116.78 ? 37  GLU A OE2 1 
ATOM   291 N N   . ALA A 1 38  ? -14.705 10.060 2.162   1.00 73.70  ? 38  ALA A N   1 
ATOM   292 C CA  . ALA A 1 38  ? -13.702 9.395  1.365   1.00 69.26  ? 38  ALA A CA  1 
ATOM   293 C C   . ALA A 1 38  ? -12.295 9.693  1.883   1.00 73.20  ? 38  ALA A C   1 
ATOM   294 O O   . ALA A 1 38  ? -11.341 9.097  1.403   1.00 74.52  ? 38  ALA A O   1 
ATOM   295 C CB  . ALA A 1 38  ? -13.872 9.818  -0.074  1.00 67.17  ? 38  ALA A CB  1 
ATOM   296 N N   . SER A 1 39  ? -12.168 10.612 2.846   1.00 71.51  ? 39  SER A N   1 
ATOM   297 C CA  . SER A 1 39  ? -10.872 11.050 3.343   1.00 75.89  ? 39  SER A CA  1 
ATOM   298 C C   . SER A 1 39  ? -10.714 10.700 4.813   1.00 77.68  ? 39  SER A C   1 
ATOM   299 O O   . SER A 1 39  ? -9.671  11.006 5.377   1.00 79.47  ? 39  SER A O   1 
ATOM   300 C CB  . SER A 1 39  ? -10.687 12.565 3.172   1.00 72.25  ? 39  SER A CB  1 
ATOM   301 O OG  . SER A 1 39  ? -11.651 13.283 3.943   1.00 70.58  ? 39  SER A OG  1 
ATOM   302 N N   . ASN A 1 40  ? -11.777 10.167 5.429   1.00 78.64  ? 40  ASN A N   1 
ATOM   303 C CA  . ASN A 1 40  ? -11.818 9.860  6.856   1.00 90.08  ? 40  ASN A CA  1 
ATOM   304 C C   . ASN A 1 40  ? -11.830 11.125 7.700   1.00 92.77  ? 40  ASN A C   1 
ATOM   305 O O   . ASN A 1 40  ? -11.406 11.106 8.849   1.00 106.55 ? 40  ASN A O   1 
ATOM   306 C CB  . ASN A 1 40  ? -10.660 8.996  7.343   1.00 93.08  ? 40  ASN A CB  1 
ATOM   307 C CG  . ASN A 1 40  ? -10.850 7.560  6.937   1.00 103.29 ? 40  ASN A CG  1 
ATOM   308 O OD1 . ASN A 1 40  ? -11.214 6.723  7.771   1.00 117.58 ? 40  ASN A OD1 1 
ATOM   309 N ND2 . ASN A 1 40  ? -10.664 7.276  5.656   1.00 100.16 ? 40  ASN A ND2 1 
ATOM   310 N N   . GLY A 1 41  ? -12.316 12.224 7.137   1.00 86.68  ? 41  GLY A N   1 
ATOM   311 C CA  . GLY A 1 41  ? -12.462 13.432 7.927   1.00 87.08  ? 41  GLY A CA  1 
ATOM   312 C C   . GLY A 1 41  ? -11.154 14.199 7.989   1.00 85.91  ? 41  GLY A C   1 
ATOM   313 O O   . GLY A 1 41  ? -11.096 15.275 8.574   1.00 101.43 ? 41  GLY A O   1 
ATOM   314 N N   . GLU A 1 42  ? -10.132 13.653 7.327   1.00 85.79  ? 42  GLU A N   1 
ATOM   315 C CA  . GLU A 1 42  ? -8.809  14.242 7.312   1.00 86.55  ? 42  GLU A CA  1 
ATOM   316 C C   . GLU A 1 42  ? -8.811  15.455 6.397   1.00 83.26  ? 42  GLU A C   1 
ATOM   317 O O   . GLU A 1 42  ? -7.891  16.261 6.432   1.00 102.98 ? 42  GLU A O   1 
ATOM   318 C CB  . GLU A 1 42  ? -7.811  13.213 6.783   1.00 95.31  ? 42  GLU A CB  1 
ATOM   319 C CG  . GLU A 1 42  ? -7.843  11.905 7.568   1.00 100.06 ? 42  GLU A CG  1 
ATOM   320 C CD  . GLU A 1 42  ? -6.487  11.243 7.590   1.00 106.42 ? 42  GLU A CD  1 
ATOM   321 O OE1 . GLU A 1 42  ? -5.865  11.141 6.511   1.00 103.48 ? 42  GLU A OE1 1 
ATOM   322 O OE2 . GLU A 1 42  ? -6.056  10.851 8.696   1.00 118.58 ? 42  GLU A OE2 1 
ATOM   323 N N   . MET A 1 43  ? -9.824  15.527 5.538   1.00 75.57  ? 43  MET A N   1 
ATOM   324 C CA  . MET A 1 43  ? -10.014 16.677 4.683   1.00 79.81  ? 43  MET A CA  1 
ATOM   325 C C   . MET A 1 43  ? -11.462 17.171 4.795   1.00 78.21  ? 43  MET A C   1 
ATOM   326 O O   . MET A 1 43  ? -12.407 16.518 4.331   1.00 73.94  ? 43  MET A O   1 
ATOM   327 C CB  . MET A 1 43  ? -9.671  16.283 3.252   1.00 72.20  ? 43  MET A CB  1 
ATOM   328 C CG  . MET A 1 43  ? -9.876  17.409 2.295   1.00 75.54  ? 43  MET A CG  1 
ATOM   329 S SD  . MET A 1 43  ? -9.520  16.736 0.670   1.00 83.13  ? 43  MET A SD  1 
ATOM   330 C CE  . MET A 1 43  ? -9.945  18.246 -0.203  1.00 85.63  ? 43  MET A CE  1 
ATOM   331 N N   . GLU A 1 44  ? -11.617 18.311 5.473   1.00 77.70  ? 44  GLU A N   1 
ATOM   332 C CA  . GLU A 1 44  ? -12.918 18.937 5.663   1.00 81.40  ? 44  GLU A CA  1 
ATOM   333 C C   . GLU A 1 44  ? -12.888 20.275 4.943   1.00 79.66  ? 44  GLU A C   1 
ATOM   334 O O   . GLU A 1 44  ? -12.272 21.218 5.414   1.00 87.35  ? 44  GLU A O   1 
ATOM   335 C CB  . GLU A 1 44  ? -13.244 19.134 7.138   1.00 82.56  ? 44  GLU A CB  1 
ATOM   336 C CG  . GLU A 1 44  ? -12.910 17.892 7.958   1.00 93.10  ? 44  GLU A CG  1 
ATOM   337 C CD  . GLU A 1 44  ? -13.630 17.737 9.290   1.00 98.26  ? 44  GLU A CD  1 
ATOM   338 O OE1 . GLU A 1 44  ? -14.575 18.500 9.592   1.00 111.82 ? 44  GLU A OE1 1 
ATOM   339 O OE2 . GLU A 1 44  ? -13.227 16.821 10.035  1.00 100.94 ? 44  GLU A OE2 1 
ATOM   340 N N   . LEU A 1 45  ? -13.438 20.283 3.735   1.00 73.30  ? 45  LEU A N   1 
ATOM   341 C CA  . LEU A 1 45  ? -13.584 21.494 2.962   1.00 71.42  ? 45  LEU A CA  1 
ATOM   342 C C   . LEU A 1 45  ? -14.588 22.406 3.658   1.00 71.19  ? 45  LEU A C   1 
ATOM   343 O O   . LEU A 1 45  ? -15.574 21.936 4.227   1.00 65.36  ? 45  LEU A O   1 
ATOM   344 C CB  . LEU A 1 45  ? -14.099 21.024 1.607   1.00 74.95  ? 45  LEU A CB  1 
ATOM   345 C CG  . LEU A 1 45  ? -13.030 20.803 0.551   1.00 83.18  ? 45  LEU A CG  1 
ATOM   346 C CD1 . LEU A 1 45  ? -13.537 19.778 -0.424  1.00 85.12  ? 45  LEU A CD1 1 
ATOM   347 C CD2 . LEU A 1 45  ? -12.720 22.145 -0.114  1.00 84.71  ? 45  LEU A CD2 1 
ATOM   348 N N   . ASN A 1 46  ? -14.222 23.674 3.701   1.00 62.12  ? 46  ASN A N   1 
ATOM   349 C CA  . ASN A 1 46  ? -15.105 24.832 3.791   1.00 59.26  ? 46  ASN A CA  1 
ATOM   350 C C   . ASN A 1 46  ? -15.969 25.060 2.561   1.00 54.36  ? 46  ASN A C   1 
ATOM   351 O O   . ASN A 1 46  ? -15.468 24.918 1.431   1.00 55.13  ? 46  ASN A O   1 
ATOM   352 C CB  . ASN A 1 46  ? -14.292 26.097 3.458   1.00 65.85  ? 46  ASN A CB  1 
ATOM   353 C CG  . ASN A 1 46  ? -13.707 26.773 4.646   1.00 64.00  ? 46  ASN A CG  1 
ATOM   354 O OD1 . ASN A 1 46  ? -14.208 26.587 5.749   1.00 89.55  ? 46  ASN A OD1 1 
ATOM   355 N ND2 . ASN A 1 46  ? -12.686 27.580 4.444   1.00 93.40  ? 46  ASN A ND2 1 
ATOM   356 N N   . GLU A 1 47  ? -17.110 25.719 2.777   1.00 57.93  ? 47  GLU A N   1 
ATOM   357 C CA  . GLU A 1 47  ? -17.932 26.212 1.682   1.00 58.90  ? 47  GLU A CA  1 
ATOM   358 C C   . GLU A 1 47  ? -17.229 27.372 0.964   1.00 54.18  ? 47  GLU A C   1 
ATOM   359 O O   . GLU A 1 47  ? -17.226 27.470 -0.277  1.00 51.24  ? 47  GLU A O   1 
ATOM   360 C CB  . GLU A 1 47  ? -19.214 26.785 2.266   1.00 59.29  ? 47  GLU A CB  1 
ATOM   361 C CG  . GLU A 1 47  ? -19.988 25.808 3.126   1.00 60.03  ? 47  GLU A CG  1 
ATOM   362 C CD  . GLU A 1 47  ? -19.842 25.920 4.613   1.00 61.80  ? 47  GLU A CD  1 
ATOM   363 O OE1 . GLU A 1 47  ? -18.717 26.156 5.131   1.00 59.70  ? 47  GLU A OE1 1 
ATOM   364 O OE2 . GLU A 1 47  ? -20.914 25.690 5.233   1.00 60.37  ? 47  GLU A OE2 1 
ATOM   365 N N   . ALA A 1 48  ? -16.669 28.282 1.762   1.00 53.41  ? 48  ALA A N   1 
ATOM   366 C CA  . ALA A 1 48  ? -15.930 29.427 1.208   1.00 56.49  ? 48  ALA A CA  1 
ATOM   367 C C   . ALA A 1 48  ? -14.947 28.950 0.155   1.00 52.39  ? 48  ALA A C   1 
ATOM   368 O O   . ALA A 1 48  ? -14.936 29.404 -0.988  1.00 60.06  ? 48  ALA A O   1 
ATOM   369 C CB  . ALA A 1 48  ? -15.200 30.185 2.280   1.00 53.29  ? 48  ALA A CB  1 
ATOM   370 N N   . THR A 1 49  ? -14.176 27.950 0.536   1.00 53.51  ? 49  THR A N   1 
ATOM   371 C CA  . THR A 1 49  ? -13.153 27.412 -0.327  1.00 55.35  ? 49  THR A CA  1 
ATOM   372 C C   . THR A 1 49  ? -13.781 26.803 -1.560  1.00 58.16  ? 49  THR A C   1 
ATOM   373 O O   . THR A 1 49  ? -13.287 26.965 -2.688  1.00 60.12  ? 49  THR A O   1 
ATOM   374 C CB  . THR A 1 49  ? -12.396 26.356 0.481   1.00 60.83  ? 49  THR A CB  1 
ATOM   375 O OG1 . THR A 1 49  ? -11.788 27.013 1.585   1.00 56.36  ? 49  THR A OG1 1 
ATOM   376 C CG2 . THR A 1 49  ? -11.252 25.728 -0.280  1.00 62.75  ? 49  THR A CG2 1 
ATOM   377 N N   . LEU A 1 50  ? -14.816 25.995 -1.304  1.00 62.47  ? 50  LEU A N   1 
ATOM   378 C CA  . LEU A 1 50  ? -15.407 25.237 -2.381  1.00 52.55  ? 50  LEU A CA  1 
ATOM   379 C C   . LEU A 1 50  ? -15.983 26.233 -3.363  1.00 47.01  ? 50  LEU A C   1 
ATOM   380 O O   . LEU A 1 50  ? -15.800 26.063 -4.562  1.00 49.14  ? 50  LEU A O   1 
ATOM   381 C CB  . LEU A 1 50  ? -16.445 24.240 -1.877  1.00 63.21  ? 50  LEU A CB  1 
ATOM   382 C CG  . LEU A 1 50  ? -17.219 23.518 -2.977  1.00 62.49  ? 50  LEU A CG  1 
ATOM   383 C CD1 . LEU A 1 50  ? -17.753 22.220 -2.499  1.00 72.96  ? 50  LEU A CD1 1 
ATOM   384 C CD2 . LEU A 1 50  ? -18.371 24.429 -3.446  1.00 71.01  ? 50  LEU A CD2 1 
ATOM   385 N N   . TYR A 1 51  ? -16.660 27.283 -2.862  1.00 50.27  ? 51  TYR A N   1 
ATOM   386 C CA  . TYR A 1 51  ? -17.258 28.260 -3.770  1.00 55.89  ? 51  TYR A CA  1 
ATOM   387 C C   . TYR A 1 51  ? -16.190 29.096 -4.482  1.00 52.04  ? 51  TYR A C   1 
ATOM   388 O O   . TYR A 1 51  ? -16.327 29.369 -5.681  1.00 58.44  ? 51  TYR A O   1 
ATOM   389 C CB  . TYR A 1 51  ? -18.338 29.090 -3.062  1.00 54.82  ? 51  TYR A CB  1 
ATOM   390 C CG  . TYR A 1 51  ? -19.704 28.438 -2.990  1.00 54.82  ? 51  TYR A CG  1 
ATOM   391 C CD1 . TYR A 1 51  ? -20.475 28.288 -4.128  1.00 56.86  ? 51  TYR A CD1 1 
ATOM   392 C CD2 . TYR A 1 51  ? -20.252 28.020 -1.780  1.00 54.49  ? 51  TYR A CD2 1 
ATOM   393 C CE1 . TYR A 1 51  ? -21.728 27.692 -4.082  1.00 55.95  ? 51  TYR A CE1 1 
ATOM   394 C CE2 . TYR A 1 51  ? -21.491 27.397 -1.726  1.00 57.23  ? 51  TYR A CE2 1 
ATOM   395 C CZ  . TYR A 1 51  ? -22.239 27.247 -2.878  1.00 58.49  ? 51  TYR A CZ  1 
ATOM   396 O OH  . TYR A 1 51  ? -23.510 26.713 -2.807  1.00 71.78  ? 51  TYR A OH  1 
ATOM   397 N N   . THR A 1 52  ? -15.083 29.458 -3.814  1.00 60.24  ? 52  THR A N   1 
ATOM   398 C CA  . THR A 1 52  ? -13.971 30.177 -4.491  1.00 53.34  ? 52  THR A CA  1 
ATOM   399 C C   . THR A 1 52  ? -13.412 29.322 -5.632  1.00 49.95  ? 52  THR A C   1 
ATOM   400 O O   . THR A 1 52  ? -13.246 29.740 -6.769  1.00 57.89  ? 52  THR A O   1 
ATOM   401 C CB  . THR A 1 52  ? -12.856 30.448 -3.483  1.00 54.34  ? 52  THR A CB  1 
ATOM   402 O OG1 . THR A 1 52  ? -13.483 31.222 -2.461  1.00 55.82  ? 52  THR A OG1 1 
ATOM   403 C CG2 . THR A 1 52  ? -11.601 31.017 -4.134  1.00 57.47  ? 52  THR A CG2 1 
ATOM   404 N N   . ILE A 1 53  ? -13.268 28.028 -5.398  1.00 54.11  ? 53  ILE A N   1 
ATOM   405 C CA  . ILE A 1 53  ? -12.742 27.170 -6.446  1.00 48.73  ? 53  ILE A CA  1 
ATOM   406 C C   . ILE A 1 53  ? -13.738 27.036 -7.586  1.00 53.57  ? 53  ILE A C   1 
ATOM   407 O O   . ILE A 1 53  ? -13.441 27.216 -8.783  1.00 53.65  ? 53  ILE A O   1 
ATOM   408 C CB  . ILE A 1 53  ? -12.346 25.827 -5.816  1.00 52.67  ? 53  ILE A CB  1 
ATOM   409 C CG1 . ILE A 1 53  ? -11.108 26.004 -4.953  1.00 57.96  ? 53  ILE A CG1 1 
ATOM   410 C CG2 . ILE A 1 53  ? -12.165 24.772 -6.907  1.00 52.10  ? 53  ILE A CG2 1 
ATOM   411 C CD1 . ILE A 1 53  ? -10.714 24.771 -4.159  1.00 63.04  ? 53  ILE A CD1 1 
ATOM   412 N N   . PHE A 1 54  ? -14.973 26.699 -7.221  1.00 54.06  ? 54  PHE A N   1 
ATOM   413 C CA  . PHE A 1 54  ? -15.972 26.553 -8.262  1.00 54.99  ? 54  PHE A CA  1 
ATOM   414 C C   . PHE A 1 54  ? -16.168 27.840 -9.071  1.00 50.74  ? 54  PHE A C   1 
ATOM   415 O O   . PHE A 1 54  ? -16.350 27.766 -10.289 1.00 61.73  ? 54  PHE A O   1 
ATOM   416 C CB  . PHE A 1 54  ? -17.211 25.991 -7.554  1.00 60.54  ? 54  PHE A CB  1 
ATOM   417 C CG  . PHE A 1 54  ? -17.214 24.480 -7.392  1.00 57.44  ? 54  PHE A CG  1 
ATOM   418 C CD1 . PHE A 1 54  ? -16.040 23.743 -7.433  1.00 57.62  ? 54  PHE A CD1 1 
ATOM   419 C CD2 . PHE A 1 54  ? -18.422 23.786 -7.202  1.00 68.86  ? 54  PHE A CD2 1 
ATOM   420 C CE1 . PHE A 1 54  ? -16.056 22.364 -7.316  1.00 60.74  ? 54  PHE A CE1 1 
ATOM   421 C CE2 . PHE A 1 54  ? -18.430 22.401 -7.072  1.00 55.18  ? 54  PHE A CE2 1 
ATOM   422 C CZ  . PHE A 1 54  ? -17.253 21.693 -7.134  1.00 65.79  ? 54  PHE A CZ  1 
ATOM   423 N N   . ASP A 1 55  ? -16.257 29.013 -8.445  1.00 52.35  ? 55  ASP A N   1 
ATOM   424 C CA  . ASP A 1 55  ? -16.356 30.240 -9.242  1.00 55.73  ? 55  ASP A CA  1 
ATOM   425 C C   . ASP A 1 55  ? -15.262 30.274 -10.297 1.00 58.43  ? 55  ASP A C   1 
ATOM   426 O O   . ASP A 1 55  ? -15.514 30.570 -11.462 1.00 58.77  ? 55  ASP A O   1 
ATOM   427 C CB  . ASP A 1 55  ? -16.350 31.512 -8.410  1.00 57.05  ? 55  ASP A CB  1 
ATOM   428 C CG  . ASP A 1 55  ? -17.618 31.676 -7.586  1.00 66.34  ? 55  ASP A CG  1 
ATOM   429 O OD1 . ASP A 1 55  ? -18.577 30.909 -7.851  1.00 62.79  ? 55  ASP A OD1 1 
ATOM   430 O OD2 . ASP A 1 55  ? -17.619 32.482 -6.632  1.00 61.56  ? 55  ASP A OD2 1 
ATOM   431 N N   . ARG A 1 56  ? -14.043 29.885 -9.915  1.00 62.99  ? 56  ARG A N   1 
ATOM   432 C CA  . ARG A 1 56  ? -12.982 29.843 -10.902 1.00 62.69  ? 56  ARG A CA  1 
ATOM   433 C C   . ARG A 1 56  ? -13.258 28.765 -11.952 1.00 60.54  ? 56  ARG A C   1 
ATOM   434 O O   . ARG A 1 56  ? -13.274 29.051 -13.146 1.00 64.26  ? 56  ARG A O   1 
ATOM   435 C CB  . ARG A 1 56  ? -11.619 29.802 -10.203 1.00 67.92  ? 56  ARG A CB  1 
ATOM   436 C CG  . ARG A 1 56  ? -10.449 29.848 -11.177 1.00 79.37  ? 56  ARG A CG  1 
ATOM   437 C CD  . ARG A 1 56  ? -10.488 31.033 -12.170 1.00 81.21  ? 56  ARG A CD  1 
ATOM   438 N NE  . ARG A 1 56  ? -9.410  30.820 -13.138 1.00 86.79  ? 56  ARG A NE  1 
ATOM   439 C CZ  . ARG A 1 56  ? -8.120  30.882 -12.807 1.00 100.71 ? 56  ARG A CZ  1 
ATOM   440 N NH1 . ARG A 1 56  ? -7.742  31.413 -11.649 1.00 101.01 ? 56  ARG A NH1 1 
ATOM   441 N NH2 . ARG A 1 56  ? -7.207  30.440 -13.650 1.00 102.93 ? 56  ARG A NH2 1 
ATOM   442 N N   . LEU A 1 57  ? -13.502 27.518 -11.555 1.00 55.49  ? 57  LEU A N   1 
ATOM   443 C CA  . LEU A 1 57  ? -13.748 26.485 -12.573 1.00 58.32  ? 57  LEU A CA  1 
ATOM   444 C C   . LEU A 1 57  ? -14.880 26.863 -13.534 1.00 65.13  ? 57  LEU A C   1 
ATOM   445 O O   . LEU A 1 57  ? -14.854 26.501 -14.715 1.00 65.82  ? 57  LEU A O   1 
ATOM   446 C CB  . LEU A 1 57  ? -14.080 25.183 -11.848 1.00 58.35  ? 57  LEU A CB  1 
ATOM   447 C CG  . LEU A 1 57  ? -12.906 24.614 -11.051 1.00 61.65  ? 57  LEU A CG  1 
ATOM   448 C CD1 . LEU A 1 57  ? -13.321 23.427 -10.234 1.00 62.14  ? 57  LEU A CD1 1 
ATOM   449 C CD2 . LEU A 1 57  ? -11.740 24.269 -11.974 1.00 58.08  ? 57  LEU A CD2 1 
ATOM   450 N N   . GLU A 1 58  ? -15.913 27.540 -13.008 1.00 70.24  ? 58  GLU A N   1 
ATOM   451 C CA  . GLU A 1 58  ? -17.111 27.851 -13.789 1.00 70.34  ? 58  GLU A CA  1 
ATOM   452 C C   . GLU A 1 58  ? -16.767 28.958 -14.779 1.00 73.25  ? 58  GLU A C   1 
ATOM   453 O O   . GLU A 1 58  ? -17.033 28.849 -15.976 1.00 64.90  ? 58  GLU A O   1 
ATOM   454 C CB  . GLU A 1 58  ? -18.285 28.223 -12.884 1.00 70.69  ? 58  GLU A CB  1 
ATOM   455 C CG  . GLU A 1 58  ? -19.594 28.512 -13.629 1.00 77.11  ? 58  GLU A CG  1 
ATOM   456 C CD  . GLU A 1 58  ? -20.828 28.546 -12.740 1.00 71.79  ? 58  GLU A CD  1 
ATOM   457 O OE1 . GLU A 1 58  ? -20.588 28.704 -11.517 1.00 71.00  ? 58  GLU A OE1 1 
ATOM   458 O OE2 . GLU A 1 58  ? -21.990 28.387 -13.211 1.00 77.17  ? 58  GLU A OE2 1 
ATOM   459 N N   . GLN A 1 59  ? -16.052 29.968 -14.284 1.00 71.60  ? 59  GLN A N   1 
ATOM   460 C CA  . GLN A 1 59  ? -15.553 31.027 -15.137 1.00 74.80  ? 59  GLN A CA  1 
ATOM   461 C C   . GLN A 1 59  ? -14.712 30.432 -16.272 1.00 76.71  ? 59  GLN A C   1 
ATOM   462 O O   . GLN A 1 59  ? -14.832 30.873 -17.402 1.00 80.91  ? 59  GLN A O   1 
ATOM   463 C CB  . GLN A 1 59  ? -14.830 32.014 -14.219 1.00 85.58  ? 59  GLN A CB  1 
ATOM   464 C CG  . GLN A 1 59  ? -14.416 33.314 -14.894 1.00 103.72 ? 59  GLN A CG  1 
ATOM   465 C CD  . GLN A 1 59  ? -13.271 34.006 -14.183 1.00 111.62 ? 59  GLN A CD  1 
ATOM   466 O OE1 . GLN A 1 59  ? -12.207 33.416 -13.948 1.00 113.78 ? 59  GLN A OE1 1 
ATOM   467 N NE2 . GLN A 1 59  ? -13.473 35.273 -13.847 1.00 111.30 ? 59  GLN A NE2 1 
ATOM   468 N N   . ASP A 1 60  ? -13.860 29.432 -16.009 1.00 67.68  ? 60  ASP A N   1 
ATOM   469 C CA  . ASP A 1 60  ? -13.083 28.852 -17.089 1.00 64.77  ? 60  ASP A CA  1 
ATOM   470 C C   . ASP A 1 60  ? -13.877 27.784 -17.858 1.00 69.67  ? 60  ASP A C   1 
ATOM   471 O O   . ASP A 1 60  ? -13.311 27.125 -18.715 1.00 77.11  ? 60  ASP A O   1 
ATOM   472 C CB  . ASP A 1 60  ? -11.772 28.284 -16.579 1.00 68.38  ? 60  ASP A CB  1 
ATOM   473 C CG  . ASP A 1 60  ? -10.852 29.210 -15.777 1.00 70.76  ? 60  ASP A CG  1 
ATOM   474 O OD1 . ASP A 1 60  ? -10.971 30.441 -15.891 1.00 73.59  ? 60  ASP A OD1 1 
ATOM   475 O OD2 . ASP A 1 60  ? -10.079 28.687 -14.950 1.00 72.48  ? 60  ASP A OD2 1 
ATOM   476 N N   . GLY A 1 61  ? -15.170 27.563 -17.566 1.00 69.61  ? 61  GLY A N   1 
ATOM   477 C CA  . GLY A 1 61  ? -15.987 26.677 -18.385 1.00 65.46  ? 61  GLY A CA  1 
ATOM   478 C C   . GLY A 1 61  ? -15.710 25.183 -18.169 1.00 67.08  ? 61  GLY A C   1 
ATOM   479 O O   . GLY A 1 61  ? -16.003 24.361 -19.036 1.00 68.11  ? 61  GLY A O   1 
ATOM   480 N N   . ILE A 1 62  ? -15.224 24.803 -16.985 1.00 69.24  ? 62  ILE A N   1 
ATOM   481 C CA  . ILE A 1 62  ? -14.869 23.419 -16.723 1.00 70.22  ? 62  ILE A CA  1 
ATOM   482 C C   . ILE A 1 62  ? -16.029 22.736 -16.014 1.00 75.09  ? 62  ILE A C   1 
ATOM   483 O O   . ILE A 1 62  ? -16.216 21.524 -16.161 1.00 70.89  ? 62  ILE A O   1 
ATOM   484 C CB  . ILE A 1 62  ? -13.558 23.354 -15.921 1.00 73.61  ? 62  ILE A CB  1 
ATOM   485 C CG1 . ILE A 1 62  ? -12.370 23.700 -16.828 1.00 75.11  ? 62  ILE A CG1 1 
ATOM   486 C CG2 . ILE A 1 62  ? -13.348 21.998 -15.238 1.00 69.62  ? 62  ILE A CG2 1 
ATOM   487 C CD1 . ILE A 1 62  ? -11.388 24.637 -16.178 1.00 77.02  ? 62  ILE A CD1 1 
ATOM   488 N N   . ILE A 1 63  ? -16.732 23.525 -15.192 1.00 72.45  ? 63  ILE A N   1 
ATOM   489 C CA  . ILE A 1 63  ? -18.000 23.140 -14.594 1.00 72.05  ? 63  ILE A CA  1 
ATOM   490 C C   . ILE A 1 63  ? -19.049 24.207 -14.921 1.00 73.57  ? 63  ILE A C   1 
ATOM   491 O O   . ILE A 1 63  ? -18.729 25.306 -15.367 1.00 68.57  ? 63  ILE A O   1 
ATOM   492 C CB  . ILE A 1 63  ? -17.849 22.937 -13.077 1.00 74.53  ? 63  ILE A CB  1 
ATOM   493 C CG1 . ILE A 1 63  ? -17.688 24.263 -12.364 1.00 68.20  ? 63  ILE A CG1 1 
ATOM   494 C CG2 . ILE A 1 63  ? -16.700 21.974 -12.741 1.00 67.54  ? 63  ILE A CG2 1 
ATOM   495 C CD1 . ILE A 1 63  ? -17.627 24.147 -10.855 1.00 66.45  ? 63  ILE A CD1 1 
ATOM   496 N N   . SER A 1 64  ? -20.316 23.833 -14.741 1.00 72.38  ? 64  SER A N   1 
ATOM   497 C CA  . SER A 1 64  ? -21.469 24.707 -14.936 1.00 74.06  ? 64  SER A CA  1 
ATOM   498 C C   . SER A 1 64  ? -22.435 24.441 -13.805 1.00 67.25  ? 64  SER A C   1 
ATOM   499 O O   . SER A 1 64  ? -22.393 23.362 -13.222 1.00 63.48  ? 64  SER A O   1 
ATOM   500 C CB  . SER A 1 64  ? -22.196 24.449 -16.218 1.00 74.17  ? 64  SER A CB  1 
ATOM   501 O OG  . SER A 1 64  ? -22.662 23.106 -16.201 1.00 76.56  ? 64  SER A OG  1 
ATOM   502 N N   . SER A 1 65  ? -23.287 25.426 -13.514 1.00 64.57  ? 65  SER A N   1 
ATOM   503 C CA  . SER A 1 65  ? -24.177 25.288 -12.382 1.00 67.00  ? 65  SER A CA  1 
ATOM   504 C C   . SER A 1 65  ? -25.623 25.400 -12.855 1.00 65.69  ? 65  SER A C   1 
ATOM   505 O O   . SER A 1 65  ? -25.903 25.871 -13.949 1.00 64.36  ? 65  SER A O   1 
ATOM   506 C CB  . SER A 1 65  ? -23.873 26.292 -11.333 1.00 61.87  ? 65  SER A CB  1 
ATOM   507 O OG  . SER A 1 65  ? -23.992 27.596 -11.874 1.00 64.63  ? 65  SER A OG  1 
ATOM   508 N N   . TYR A 1 66  ? -26.538 24.977 -12.003 1.00 67.42  ? 66  TYR A N   1 
ATOM   509 C CA  . TYR A 1 66  ? -27.953 25.087 -12.330 1.00 65.59  ? 66  TYR A CA  1 
ATOM   510 C C   . TYR A 1 66  ? -28.735 24.934 -11.050 1.00 61.97  ? 66  TYR A C   1 
ATOM   511 O O   . TYR A 1 66  ? -28.242 24.323 -10.105 1.00 62.76  ? 66  TYR A O   1 
ATOM   512 C CB  . TYR A 1 66  ? -28.412 24.041 -13.342 1.00 67.04  ? 66  TYR A CB  1 
ATOM   513 C CG  . TYR A 1 66  ? -28.238 22.575 -12.960 1.00 70.42  ? 66  TYR A CG  1 
ATOM   514 C CD1 . TYR A 1 66  ? -29.240 21.878 -12.293 1.00 65.72  ? 66  TYR A CD1 1 
ATOM   515 C CD2 . TYR A 1 66  ? -27.103 21.857 -13.346 1.00 78.92  ? 66  TYR A CD2 1 
ATOM   516 C CE1 . TYR A 1 66  ? -29.098 20.538 -11.965 1.00 69.47  ? 66  TYR A CE1 1 
ATOM   517 C CE2 . TYR A 1 66  ? -26.954 20.506 -13.040 1.00 75.90  ? 66  TYR A CE2 1 
ATOM   518 C CZ  . TYR A 1 66  ? -27.953 19.850 -12.342 1.00 71.41  ? 66  TYR A CZ  1 
ATOM   519 O OH  . TYR A 1 66  ? -27.832 18.540 -12.024 1.00 62.98  ? 66  TYR A OH  1 
ATOM   520 N N   . TRP A 1 67  ? -29.968 25.466 -11.045 1.00 72.95  ? 67  TRP A N   1 
ATOM   521 C CA  . TRP A 1 67  ? -30.834 25.386 -9.879  1.00 66.68  ? 67  TRP A CA  1 
ATOM   522 C C   . TRP A 1 67  ? -31.489 24.009 -9.801  1.00 64.54  ? 67  TRP A C   1 
ATOM   523 O O   . TRP A 1 67  ? -31.818 23.421 -10.812 1.00 63.94  ? 67  TRP A O   1 
ATOM   524 C CB  . TRP A 1 67  ? -31.884 26.506 -9.895  1.00 72.31  ? 67  TRP A CB  1 
ATOM   525 C CG  . TRP A 1 67  ? -31.254 27.871 -9.751  1.00 77.11  ? 67  TRP A CG  1 
ATOM   526 C CD1 . TRP A 1 67  ? -31.222 28.867 -10.682 1.00 75.89  ? 67  TRP A CD1 1 
ATOM   527 C CD2 . TRP A 1 67  ? -30.513 28.361 -8.610  1.00 68.86  ? 67  TRP A CD2 1 
ATOM   528 N NE1 . TRP A 1 67  ? -30.563 29.957 -10.186 1.00 75.61  ? 67  TRP A NE1 1 
ATOM   529 C CE2 . TRP A 1 67  ? -30.112 29.683 -8.922  1.00 70.57  ? 67  TRP A CE2 1 
ATOM   530 C CE3 . TRP A 1 67  ? -30.163 27.820 -7.363  1.00 70.62  ? 67  TRP A CE3 1 
ATOM   531 C CZ2 . TRP A 1 67  ? -29.360 30.465 -8.044  1.00 69.91  ? 67  TRP A CZ2 1 
ATOM   532 C CZ3 . TRP A 1 67  ? -29.417 28.594 -6.497  1.00 67.73  ? 67  TRP A CZ3 1 
ATOM   533 C CH2 . TRP A 1 67  ? -29.047 29.905 -6.825  1.00 69.20  ? 67  TRP A CH2 1 
ATOM   534 N N   . GLY A 1 68  ? -31.626 23.483 -8.582  1.00 59.49  ? 68  GLY A N   1 
ATOM   535 C CA  . GLY A 1 68  ? -32.222 22.191 -8.375  1.00 65.25  ? 68  GLY A CA  1 
ATOM   536 C C   . GLY A 1 68  ? -33.737 22.374 -8.307  1.00 78.64  ? 68  GLY A C   1 
ATOM   537 O O   . GLY A 1 68  ? -34.251 23.489 -8.292  1.00 70.30  ? 68  GLY A O   1 
ATOM   538 N N   . ASP A 1 69  ? -34.427 21.254 -8.214  1.00 77.31  ? 69  ASP A N   1 
ATOM   539 C CA  . ASP A 1 69  ? -35.851 21.215 -7.941  1.00 87.93  ? 69  ASP A CA  1 
ATOM   540 C C   . ASP A 1 69  ? -36.177 22.069 -6.713  1.00 86.81  ? 69  ASP A C   1 
ATOM   541 O O   . ASP A 1 69  ? -35.439 22.055 -5.734  1.00 79.60  ? 69  ASP A O   1 
ATOM   542 C CB  . ASP A 1 69  ? -36.243 19.765 -7.724  1.00 87.19  ? 69  ASP A CB  1 
ATOM   543 C CG  . ASP A 1 69  ? -37.715 19.498 -7.880  1.00 100.19 ? 69  ASP A CG  1 
ATOM   544 O OD1 . ASP A 1 69  ? -38.438 20.470 -8.147  1.00 123.32 ? 69  ASP A OD1 1 
ATOM   545 O OD2 . ASP A 1 69  ? -38.097 18.329 -7.739  1.00 115.62 ? 69  ASP A OD2 1 
ATOM   546 N N   . GLU A 1 70  ? -37.294 22.822 -6.733  1.00 84.70  ? 70  GLU A N   1 
ATOM   547 C CA  . GLU A 1 70  ? -37.694 23.551 -5.534  1.00 75.72  ? 70  GLU A CA  1 
ATOM   548 C C   . GLU A 1 70  ? -38.818 22.791 -4.845  1.00 84.58  ? 70  GLU A C   1 
ATOM   549 O O   . GLU A 1 70  ? -39.550 23.386 -4.053  1.00 86.07  ? 70  GLU A O   1 
ATOM   550 C CB  . GLU A 1 70  ? -38.068 25.019 -5.720  1.00 80.13  ? 70  GLU A CB  1 
ATOM   551 C CG  . GLU A 1 70  ? -36.938 25.822 -6.348  1.00 92.34  ? 70  GLU A CG  1 
ATOM   552 C CD  . GLU A 1 70  ? -37.047 27.325 -6.203  1.00 100.36 ? 70  GLU A CD  1 
ATOM   553 O OE1 . GLU A 1 70  ? -37.965 27.814 -5.505  1.00 100.42 ? 70  GLU A OE1 1 
ATOM   554 O OE2 . GLU A 1 70  ? -36.188 27.994 -6.823  1.00 104.54 ? 70  GLU A OE2 1 
ATOM   555 N N   . SER A 1 71  ? -38.945 21.487 -5.159  1.00 86.47  ? 71  SER A N   1 
ATOM   556 C CA  . SER A 1 71  ? -39.893 20.621 -4.472  1.00 96.05  ? 71  SER A CA  1 
ATOM   557 C C   . SER A 1 71  ? -39.616 20.714 -2.980  1.00 111.06 ? 71  SER A C   1 
ATOM   558 O O   . SER A 1 71  ? -40.550 20.769 -2.185  1.00 113.59 ? 71  SER A O   1 
ATOM   559 C CB  . SER A 1 71  ? -39.798 19.185 -4.928  1.00 92.04  ? 71  SER A CB  1 
ATOM   560 O OG  . SER A 1 71  ? -40.636 18.340 -4.151  1.00 100.41 ? 71  SER A OG  1 
ATOM   561 N N   . GLN A 1 72  ? -38.305 20.710 -2.672  1.00 124.12 ? 72  GLN A N   1 
ATOM   562 C CA  . GLN A 1 72  ? -37.725 21.011 -1.372  1.00 121.60 ? 72  GLN A CA  1 
ATOM   563 C C   . GLN A 1 72  ? -38.369 22.269 -0.791  1.00 116.99 ? 72  GLN A C   1 
ATOM   564 O O   . GLN A 1 72  ? -38.643 22.333 0.400   1.00 108.09 ? 72  GLN A O   1 
ATOM   565 C CB  . GLN A 1 72  ? -36.210 21.194 -1.535  1.00 118.73 ? 72  GLN A CB  1 
ATOM   566 C CG  . GLN A 1 72  ? -35.432 19.898 -1.758  1.00 116.99 ? 72  GLN A CG  1 
ATOM   567 C CD  . GLN A 1 72  ? -35.602 19.332 -3.149  1.00 111.71 ? 72  GLN A CD  1 
ATOM   568 O OE1 . GLN A 1 72  ? -36.245 19.946 -3.998  1.00 120.45 ? 72  GLN A OE1 1 
ATOM   569 N NE2 . GLN A 1 72  ? -35.050 18.156 -3.403  1.00 113.07 ? 72  GLN A NE2 1 
ATOM   570 N N   . GLY A 1 73  ? -38.619 23.266 -1.641  1.00 119.51 ? 73  GLY A N   1 
ATOM   571 C CA  . GLY A 1 73  ? -39.184 24.519 -1.185  1.00 111.73 ? 73  GLY A CA  1 
ATOM   572 C C   . GLY A 1 73  ? -38.087 25.559 -1.050  1.00 116.82 ? 73  GLY A C   1 
ATOM   573 O O   . GLY A 1 73  ? -38.388 26.734 -0.866  1.00 135.13 ? 73  GLY A O   1 
ATOM   574 N N   . GLY A 1 74  ? -36.827 25.134 -1.195  1.00 91.93  ? 74  GLY A N   1 
ATOM   575 C CA  . GLY A 1 74  ? -35.767 26.119 -1.273  1.00 91.10  ? 74  GLY A CA  1 
ATOM   576 C C   . GLY A 1 74  ? -34.808 25.828 -2.419  1.00 93.27  ? 74  GLY A C   1 
ATOM   577 O O   . GLY A 1 74  ? -34.588 24.684 -2.807  1.00 124.40 ? 74  GLY A O   1 
ATOM   578 N N   . ARG A 1 75  ? -34.235 26.900 -2.950  1.00 78.87  ? 75  ARG A N   1 
ATOM   579 C CA  . ARG A 1 75  ? -33.311 26.830 -4.059  1.00 85.09  ? 75  ARG A CA  1 
ATOM   580 C C   . ARG A 1 75  ? -32.023 26.142 -3.587  1.00 77.16  ? 75  ARG A C   1 
ATOM   581 O O   . ARG A 1 75  ? -31.580 26.346 -2.473  1.00 69.39  ? 75  ARG A O   1 
ATOM   582 C CB  . ARG A 1 75  ? -33.103 28.288 -4.490  1.00 90.44  ? 75  ARG A CB  1 
ATOM   583 C CG  . ARG A 1 75  ? -33.171 28.510 -5.988  1.00 95.35  ? 75  ARG A CG  1 
ATOM   584 C CD  . ARG A 1 75  ? -33.096 29.973 -6.388  1.00 100.05 ? 75  ARG A CD  1 
ATOM   585 N NE  . ARG A 1 75  ? -33.384 30.083 -7.825  1.00 118.49 ? 75  ARG A NE  1 
ATOM   586 C CZ  . ARG A 1 75  ? -33.397 31.212 -8.511  1.00 125.86 ? 75  ARG A CZ  1 
ATOM   587 N NH1 . ARG A 1 75  ? -33.011 32.323 -7.916  1.00 122.39 ? 75  ARG A NH1 1 
ATOM   588 N NH2 . ARG A 1 75  ? -33.790 31.230 -9.776  1.00 127.62 ? 75  ARG A NH2 1 
ATOM   589 N N   . ARG A 1 76  ? -31.476 25.268 -4.416  1.00 69.46  ? 76  ARG A N   1 
ATOM   590 C CA  . ARG A 1 76  ? -30.162 24.676 -4.204  1.00 72.50  ? 76  ARG A CA  1 
ATOM   591 C C   . ARG A 1 76  ? -29.416 24.675 -5.527  1.00 69.90  ? 76  ARG A C   1 
ATOM   592 O O   . ARG A 1 76  ? -30.004 24.344 -6.547  1.00 66.39  ? 76  ARG A O   1 
ATOM   593 C CB  . ARG A 1 76  ? -30.265 23.266 -3.638  1.00 63.43  ? 76  ARG A CB  1 
ATOM   594 C CG  . ARG A 1 76  ? -29.158 22.243 -3.794  1.00 76.57  ? 76  ARG A CG  1 
ATOM   595 C CD  . ARG A 1 76  ? -29.621 20.953 -3.154  1.00 72.03  ? 76  ARG A CD  1 
ATOM   596 N NE  . ARG A 1 76  ? -30.138 21.260 -1.819  1.00 75.37  ? 76  ARG A NE  1 
ATOM   597 C CZ  . ARG A 1 76  ? -30.587 20.328 -1.023  1.00 88.09  ? 76  ARG A CZ  1 
ATOM   598 N NH1 . ARG A 1 76  ? -30.466 19.076 -1.412  1.00 92.56  ? 76  ARG A NH1 1 
ATOM   599 N NH2 . ARG A 1 76  ? -31.122 20.632 0.141   1.00 93.70  ? 76  ARG A NH2 1 
ATOM   600 N N   . LYS A 1 77  ? -28.122 25.054 -5.487  1.00 63.73  ? 77  LYS A N   1 
ATOM   601 C CA  . LYS A 1 77  ? -27.339 25.154 -6.704  1.00 62.00  ? 77  LYS A CA  1 
ATOM   602 C C   . LYS A 1 77  ? -26.568 23.849 -6.913  1.00 60.97  ? 77  LYS A C   1 
ATOM   603 O O   . LYS A 1 77  ? -25.886 23.379 -6.039  1.00 69.73  ? 77  LYS A O   1 
ATOM   604 C CB  . LYS A 1 77  ? -26.434 26.388 -6.702  1.00 62.49  ? 77  LYS A CB  1 
ATOM   605 C CG  . LYS A 1 77  ? -25.708 26.611 -8.011  1.00 65.80  ? 77  LYS A CG  1 
ATOM   606 C CD  . LYS A 1 77  ? -24.722 27.786 -7.990  1.00 71.78  ? 77  LYS A CD  1 
ATOM   607 C CE  . LYS A 1 77  ? -25.475 29.089 -7.959  1.00 75.78  ? 77  LYS A CE  1 
ATOM   608 N NZ  . LYS A 1 77  ? -24.545 30.208 -7.938  1.00 76.64  ? 77  LYS A NZ  1 
ATOM   609 N N   . TYR A 1 78  ? -26.675 23.276 -8.106  1.00 63.65  ? 78  TYR A N   1 
ATOM   610 C CA  . TYR A 1 78  ? -25.972 22.065 -8.455  1.00 63.65  ? 78  TYR A CA  1 
ATOM   611 C C   . TYR A 1 78  ? -24.860 22.431 -9.424  1.00 61.49  ? 78  TYR A C   1 
ATOM   612 O O   . TYR A 1 78  ? -25.001 23.374 -10.191 1.00 57.55  ? 78  TYR A O   1 
ATOM   613 C CB  . TYR A 1 78  ? -26.860 20.981 -9.082  1.00 63.28  ? 78  TYR A CB  1 
ATOM   614 C CG  . TYR A 1 78  ? -27.690 20.258 -8.036  1.00 68.13  ? 78  TYR A CG  1 
ATOM   615 C CD1 . TYR A 1 78  ? -28.902 20.780 -7.555  1.00 73.39  ? 78  TYR A CD1 1 
ATOM   616 C CD2 . TYR A 1 78  ? -27.232 19.071 -7.502  1.00 65.66  ? 78  TYR A CD2 1 
ATOM   617 C CE1 . TYR A 1 78  ? -29.625 20.117 -6.572  1.00 70.63  ? 78  TYR A CE1 1 
ATOM   618 C CE2 . TYR A 1 78  ? -27.943 18.406 -6.523  1.00 69.49  ? 78  TYR A CE2 1 
ATOM   619 C CZ  . TYR A 1 78  ? -29.139 18.928 -6.062  1.00 67.78  ? 78  TYR A CZ  1 
ATOM   620 O OH  . TYR A 1 78  ? -29.733 18.213 -5.083  1.00 69.48  ? 78  TYR A OH  1 
ATOM   621 N N   . TYR A 1 79  ? -23.833 21.575 -9.442  1.00 62.52  ? 79  TYR A N   1 
ATOM   622 C CA  . TYR A 1 79  ? -22.698 21.710 -10.329 1.00 60.25  ? 79  TYR A CA  1 
ATOM   623 C C   . TYR A 1 79  ? -22.498 20.405 -11.082 1.00 62.86  ? 79  TYR A C   1 
ATOM   624 O O   . TYR A 1 79  ? -22.672 19.298 -10.554 1.00 62.34  ? 79  TYR A O   1 
ATOM   625 C CB  . TYR A 1 79  ? -21.464 22.084 -9.498  1.00 58.87  ? 79  TYR A CB  1 
ATOM   626 C CG  . TYR A 1 79  ? -21.433 23.514 -8.979  1.00 54.64  ? 79  TYR A CG  1 
ATOM   627 C CD1 . TYR A 1 79  ? -20.975 24.553 -9.772  1.00 56.78  ? 79  TYR A CD1 1 
ATOM   628 C CD2 . TYR A 1 79  ? -21.892 23.827 -7.702  1.00 60.09  ? 79  TYR A CD2 1 
ATOM   629 C CE1 . TYR A 1 79  ? -20.965 25.859 -9.311  1.00 54.08  ? 79  TYR A CE1 1 
ATOM   630 C CE2 . TYR A 1 79  ? -21.914 25.130 -7.231  1.00 55.02  ? 79  TYR A CE2 1 
ATOM   631 C CZ  . TYR A 1 79  ? -21.406 26.135 -8.031  1.00 55.06  ? 79  TYR A CZ  1 
ATOM   632 O OH  . TYR A 1 79  ? -21.331 27.388 -7.541  1.00 59.78  ? 79  TYR A OH  1 
ATOM   633 N N   . ARG A 1 80  ? -22.115 20.574 -12.342 1.00 63.92  ? 80  ARG A N   1 
ATOM   634 C CA  . ARG A 1 80  ? -21.740 19.461 -13.160 1.00 62.90  ? 80  ARG A CA  1 
ATOM   635 C C   . ARG A 1 80  ? -20.501 19.794 -13.970 1.00 68.27  ? 80  ARG A C   1 
ATOM   636 O O   . ARG A 1 80  ? -20.210 20.961 -14.279 1.00 64.57  ? 80  ARG A O   1 
ATOM   637 C CB  . ARG A 1 80  ? -22.838 19.114 -14.149 1.00 73.57  ? 80  ARG A CB  1 
ATOM   638 C CG  . ARG A 1 80  ? -23.209 20.200 -15.139 1.00 82.20  ? 80  ARG A CG  1 
ATOM   639 C CD  . ARG A 1 80  ? -24.217 19.561 -16.090 1.00 89.05  ? 80  ARG A CD  1 
ATOM   640 N NE  . ARG A 1 80  ? -25.095 20.590 -16.647 1.00 107.18 ? 80  ARG A NE  1 
ATOM   641 C CZ  . ARG A 1 80  ? -26.423 20.522 -16.727 1.00 110.00 ? 80  ARG A CZ  1 
ATOM   642 N NH1 . ARG A 1 80  ? -27.074 19.442 -16.326 1.00 113.81 ? 80  ARG A NH1 1 
ATOM   643 N NH2 . ARG A 1 80  ? -27.087 21.542 -17.234 1.00 105.63 ? 80  ARG A NH2 1 
ATOM   644 N N   . LEU A 1 81  ? -19.825 18.704 -14.340 1.00 61.72  ? 81  LEU A N   1 
ATOM   645 C CA  . LEU A 1 81  ? -18.676 18.754 -15.214 1.00 66.91  ? 81  LEU A CA  1 
ATOM   646 C C   . LEU A 1 81  ? -19.208 18.986 -16.617 1.00 69.83  ? 81  LEU A C   1 
ATOM   647 O O   . LEU A 1 81  ? -20.275 18.482 -16.954 1.00 80.17  ? 81  LEU A O   1 
ATOM   648 C CB  . LEU A 1 81  ? -17.991 17.404 -14.989 1.00 66.13  ? 81  LEU A CB  1 
ATOM   649 C CG  . LEU A 1 81  ? -16.479 17.327 -15.201 1.00 77.81  ? 81  LEU A CG  1 
ATOM   650 C CD1 . LEU A 1 81  ? -15.716 18.535 -14.673 1.00 68.97  ? 81  LEU A CD1 1 
ATOM   651 C CD2 . LEU A 1 81  ? -16.011 16.034 -14.538 1.00 75.83  ? 81  LEU A CD2 1 
ATOM   652 N N   . THR A 1 82  ? -18.509 19.811 -17.395 1.00 74.04  ? 82  THR A N   1 
ATOM   653 C CA  . THR A 1 82  ? -18.855 20.075 -18.781 1.00 69.28  ? 82  THR A CA  1 
ATOM   654 C C   . THR A 1 82  ? -18.069 19.139 -19.692 1.00 81.80  ? 82  THR A C   1 
ATOM   655 O O   . THR A 1 82  ? -17.175 18.427 -19.229 1.00 78.14  ? 82  THR A O   1 
ATOM   656 C CB  . THR A 1 82  ? -18.549 21.531 -19.108 1.00 72.24  ? 82  THR A CB  1 
ATOM   657 O OG1 . THR A 1 82  ? -17.124 21.696 -19.102 1.00 74.01  ? 82  THR A OG1 1 
ATOM   658 C CG2 . THR A 1 82  ? -19.266 22.458 -18.150 1.00 69.13  ? 82  THR A CG2 1 
ATOM   659 N N   . GLU A 1 83  ? -18.415 19.147 -20.991 1.00 81.51  ? 83  GLU A N   1 
ATOM   660 C CA  . GLU A 1 83  ? -17.679 18.354 -21.966 1.00 89.60  ? 83  GLU A CA  1 
ATOM   661 C C   . GLU A 1 83  ? -16.195 18.732 -21.899 1.00 76.35  ? 83  GLU A C   1 
ATOM   662 O O   . GLU A 1 83  ? -15.358 17.848 -21.793 1.00 73.44  ? 83  GLU A O   1 
ATOM   663 C CB  . GLU A 1 83  ? -18.240 18.500 -23.383 1.00 91.84  ? 83  GLU A CB  1 
ATOM   664 C CG  . GLU A 1 83  ? -19.655 17.955 -23.545 1.00 107.76 ? 83  GLU A CG  1 
ATOM   665 C CD  . GLU A 1 83  ? -19.748 16.438 -23.519 1.00 116.62 ? 83  GLU A CD  1 
ATOM   666 O OE1 . GLU A 1 83  ? -19.365 15.826 -22.497 1.00 110.05 ? 83  GLU A OE1 1 
ATOM   667 O OE2 . GLU A 1 83  ? -20.211 15.866 -24.531 1.00 126.29 ? 83  GLU A OE2 1 
ATOM   668 N N   . ILE A 1 84  ? -15.908 20.045 -21.932 1.00 70.36  ? 84  ILE A N   1 
ATOM   669 C CA  . ILE A 1 84  ? -14.560 20.584 -21.830 1.00 77.16  ? 84  ILE A CA  1 
ATOM   670 C C   . ILE A 1 84  ? -13.939 20.064 -20.537 1.00 70.74  ? 84  ILE A C   1 
ATOM   671 O O   . ILE A 1 84  ? -12.795 19.618 -20.521 1.00 82.37  ? 84  ILE A O   1 
ATOM   672 C CB  . ILE A 1 84  ? -14.571 22.129 -21.882 1.00 78.79  ? 84  ILE A CB  1 
ATOM   673 C CG1 . ILE A 1 84  ? -15.027 22.647 -23.216 1.00 79.73  ? 84  ILE A CG1 1 
ATOM   674 C CG2 . ILE A 1 84  ? -13.206 22.730 -21.528 1.00 77.74  ? 84  ILE A CG2 1 
ATOM   675 C CD1 . ILE A 1 84  ? -14.772 24.134 -23.404 1.00 78.62  ? 84  ILE A CD1 1 
ATOM   676 N N   . GLY A 1 85  ? -14.727 20.143 -19.459 1.00 71.87  ? 85  GLY A N   1 
ATOM   677 C CA  . GLY A 1 85  ? -14.359 19.600 -18.164 1.00 70.22  ? 85  GLY A CA  1 
ATOM   678 C C   . GLY A 1 85  ? -13.834 18.179 -18.307 1.00 71.13  ? 85  GLY A C   1 
ATOM   679 O O   . GLY A 1 85  ? -12.694 17.925 -17.947 1.00 62.46  ? 85  GLY A O   1 
ATOM   680 N N   . HIS A 1 86  ? -14.658 17.294 -18.894 1.00 70.72  ? 86  HIS A N   1 
ATOM   681 C CA  . HIS A 1 86  ? -14.333 15.883 -19.039 1.00 69.95  ? 86  HIS A CA  1 
ATOM   682 C C   . HIS A 1 86  ? -13.059 15.714 -19.858 1.00 69.98  ? 86  HIS A C   1 
ATOM   683 O O   . HIS A 1 86  ? -12.278 14.789 -19.631 1.00 66.52  ? 86  HIS A O   1 
ATOM   684 C CB  . HIS A 1 86  ? -15.474 15.102 -19.713 1.00 72.44  ? 86  HIS A CB  1 
ATOM   685 C CG  . HIS A 1 86  ? -16.634 14.813 -18.816 1.00 72.01  ? 86  HIS A CG  1 
ATOM   686 N ND1 . HIS A 1 86  ? -16.613 13.807 -17.867 1.00 73.62  ? 86  HIS A ND1 1 
ATOM   687 C CD2 . HIS A 1 86  ? -17.835 15.388 -18.726 1.00 69.77  ? 86  HIS A CD2 1 
ATOM   688 C CE1 . HIS A 1 86  ? -17.766 13.799 -17.221 1.00 70.79  ? 86  HIS A CE1 1 
ATOM   689 N NE2 . HIS A 1 86  ? -18.516 14.764 -17.712 1.00 64.36  ? 86  HIS A NE2 1 
ATOM   690 N N   . GLU A 1 87  ? -12.903 16.566 -20.863 1.00 70.57  ? 87  GLU A N   1 
ATOM   691 C CA  . GLU A 1 87  ? -11.792 16.432 -21.782 1.00 74.97  ? 87  GLU A CA  1 
ATOM   692 C C   . GLU A 1 87  ? -10.484 16.810 -21.079 1.00 77.94  ? 87  GLU A C   1 
ATOM   693 O O   . GLU A 1 87  ? -9.485  16.102 -21.167 1.00 71.65  ? 87  GLU A O   1 
ATOM   694 C CB  . GLU A 1 87  ? -12.101 17.324 -22.983 1.00 74.97  ? 87  GLU A CB  1 
ATOM   695 C CG  . GLU A 1 87  ? -11.134 17.102 -24.138 1.00 87.20  ? 87  GLU A CG  1 
ATOM   696 C CD  . GLU A 1 87  ? -11.015 15.665 -24.628 1.00 100.01 ? 87  GLU A CD  1 
ATOM   697 O OE1 . GLU A 1 87  ? -11.884 14.809 -24.307 1.00 111.32 ? 87  GLU A OE1 1 
ATOM   698 O OE2 . GLU A 1 87  ? -10.010 15.413 -25.335 1.00 98.46  ? 87  GLU A OE2 1 
ATOM   699 N N   . ASN A 1 88  ? -10.508 17.934 -20.359 1.00 74.68  ? 88  ASN A N   1 
ATOM   700 C CA  . ASN A 1 88  ? -9.352  18.379 -19.599 1.00 67.08  ? 88  ASN A CA  1 
ATOM   701 C C   . ASN A 1 88  ? -8.959  17.334 -18.573 1.00 63.95  ? 88  ASN A C   1 
ATOM   702 O O   . ASN A 1 88  ? -7.787  17.039 -18.365 1.00 68.27  ? 88  ASN A O   1 
ATOM   703 C CB  . ASN A 1 88  ? -9.619  19.718 -18.936 1.00 67.19  ? 88  ASN A CB  1 
ATOM   704 C CG  . ASN A 1 88  ? -9.660  20.795 -19.982 1.00 69.70  ? 88  ASN A CG  1 
ATOM   705 O OD1 . ASN A 1 88  ? -9.522  20.490 -21.167 1.00 81.50  ? 88  ASN A OD1 1 
ATOM   706 N ND2 . ASN A 1 88  ? -9.846  22.042 -19.583 1.00 84.65  ? 88  ASN A ND2 1 
ATOM   707 N N   . MET A 1 89  ? -9.942  16.721 -17.941 1.00 60.70  ? 89  MET A N   1 
ATOM   708 C CA  . MET A 1 89  ? -9.593  15.717 -16.965 1.00 61.30  ? 89  MET A CA  1 
ATOM   709 C C   . MET A 1 89  ? -8.873  14.565 -17.651 1.00 71.55  ? 89  MET A C   1 
ATOM   710 O O   . MET A 1 89  ? -7.973  13.984 -17.042 1.00 68.81  ? 89  MET A O   1 
ATOM   711 C CB  . MET A 1 89  ? -10.811 15.221 -16.221 1.00 67.75  ? 89  MET A CB  1 
ATOM   712 C CG  . MET A 1 89  ? -11.397 16.269 -15.325 1.00 70.79  ? 89  MET A CG  1 
ATOM   713 S SD  . MET A 1 89  ? -12.615 15.490 -14.251 1.00 68.75  ? 89  MET A SD  1 
ATOM   714 C CE  . MET A 1 89  ? -11.749 14.317 -13.212 1.00 66.72  ? 89  MET A CE  1 
ATOM   715 N N   . ARG A 1 90  ? -9.257  14.296 -18.910 1.00 71.55  ? 90  ARG A N   1 
ATOM   716 C CA  . ARG A 1 90  ? -8.661  13.233 -19.706 1.00 75.88  ? 90  ARG A CA  1 
ATOM   717 C C   . ARG A 1 90  ? -7.262  13.619 -20.188 1.00 74.28  ? 90  ARG A C   1 
ATOM   718 O O   . ARG A 1 90  ? -6.346  12.837 -20.001 1.00 73.99  ? 90  ARG A O   1 
ATOM   719 C CB  . ARG A 1 90  ? -9.514  12.913 -20.929 1.00 78.64  ? 90  ARG A CB  1 
ATOM   720 C CG  . ARG A 1 90  ? -9.095  11.643 -21.647 1.00 87.88  ? 90  ARG A CG  1 
ATOM   721 C CD  . ARG A 1 90  ? -10.056 11.399 -22.807 1.00 93.43  ? 90  ARG A CD  1 
ATOM   722 N NE  . ARG A 1 90  ? -9.793  12.370 -23.876 1.00 100.13 ? 90  ARG A NE  1 
ATOM   723 C CZ  . ARG A 1 90  ? -8.678  12.407 -24.619 1.00 98.83  ? 90  ARG A CZ  1 
ATOM   724 N NH1 . ARG A 1 90  ? -7.813  11.414 -24.604 1.00 96.83  ? 90  ARG A NH1 1 
ATOM   725 N NH2 . ARG A 1 90  ? -8.438  13.426 -25.423 1.00 102.29 ? 90  ARG A NH2 1 
ATOM   726 N N   . LEU A 1 91  ? -7.117  14.769 -20.868 1.00 69.06  ? 91  LEU A N   1 
ATOM   727 C CA  . LEU A 1 91  ? -5.806  15.272 -21.270 1.00 75.91  ? 91  LEU A CA  1 
ATOM   728 C C   . LEU A 1 91  ? -4.836  15.264 -20.081 1.00 73.06  ? 91  LEU A C   1 
ATOM   729 O O   . LEU A 1 91  ? -3.697  14.793 -20.192 1.00 70.68  ? 91  LEU A O   1 
ATOM   730 C CB  . LEU A 1 91  ? -5.914  16.689 -21.839 1.00 75.88  ? 91  LEU A CB  1 
ATOM   731 C CG  . LEU A 1 91  ? -6.732  16.846 -23.120 1.00 79.97  ? 91  LEU A CG  1 
ATOM   732 C CD1 . LEU A 1 91  ? -7.203  18.280 -23.281 1.00 81.58  ? 91  LEU A CD1 1 
ATOM   733 C CD2 . LEU A 1 91  ? -5.881  16.416 -24.295 1.00 86.26  ? 91  LEU A CD2 1 
ATOM   734 N N   . ALA A 1 92  ? -5.288  15.830 -18.951 1.00 71.42  ? 92  ALA A N   1 
ATOM   735 C CA  . ALA A 1 92  ? -4.482  15.899 -17.746 1.00 66.84  ? 92  ALA A CA  1 
ATOM   736 C C   . ALA A 1 92  ? -3.970  14.510 -17.391 1.00 69.90  ? 92  ALA A C   1 
ATOM   737 O O   . ALA A 1 92  ? -2.766  14.327 -17.300 1.00 84.15  ? 92  ALA A O   1 
ATOM   738 C CB  . ALA A 1 92  ? -5.246  16.527 -16.614 1.00 60.42  ? 92  ALA A CB  1 
ATOM   739 N N   . PHE A 1 93  ? -4.887  13.556 -17.238 1.00 68.25  ? 93  PHE A N   1 
ATOM   740 C CA  . PHE A 1 93  ? -4.603  12.213 -16.745 1.00 74.39  ? 93  PHE A CA  1 
ATOM   741 C C   . PHE A 1 93  ? -3.553  11.501 -17.603 1.00 80.05  ? 93  PHE A C   1 
ATOM   742 O O   . PHE A 1 93  ? -2.704  10.754 -17.099 1.00 77.09  ? 93  PHE A O   1 
ATOM   743 C CB  . PHE A 1 93  ? -5.917  11.415 -16.766 1.00 73.22  ? 93  PHE A CB  1 
ATOM   744 C CG  . PHE A 1 93  ? -5.676  9.938  -16.484 1.00 79.96  ? 93  PHE A CG  1 
ATOM   745 C CD1 . PHE A 1 93  ? -5.625  9.456  -15.180 1.00 80.55  ? 93  PHE A CD1 1 
ATOM   746 C CD2 . PHE A 1 93  ? -5.428  9.049  -17.526 1.00 88.08  ? 93  PHE A CD2 1 
ATOM   747 C CE1 . PHE A 1 93  ? -5.360  8.118  -14.923 1.00 86.31  ? 93  PHE A CE1 1 
ATOM   748 C CE2 . PHE A 1 93  ? -5.175  7.706  -17.268 1.00 94.27  ? 93  PHE A CE2 1 
ATOM   749 C CZ  . PHE A 1 93  ? -5.149  7.242  -15.967 1.00 93.96  ? 93  PHE A CZ  1 
ATOM   750 N N   . GLU A 1 94  ? -3.671  11.700 -18.921 1.00 75.12  ? 94  GLU A N   1 
ATOM   751 C CA  . GLU A 1 94  ? -2.801  11.065 -19.889 1.00 72.64  ? 94  GLU A CA  1 
ATOM   752 C C   . GLU A 1 94  ? -1.423  11.708 -19.838 1.00 71.78  ? 94  GLU A C   1 
ATOM   753 O O   . GLU A 1 94  ? -0.422  11.003 -19.956 1.00 75.35  ? 94  GLU A O   1 
ATOM   754 C CB  . GLU A 1 94  ? -3.321  11.240 -21.316 1.00 72.22  ? 94  GLU A CB  1 
ATOM   755 C CG  . GLU A 1 94  ? -4.631  10.500 -21.541 1.00 84.72  ? 94  GLU A CG  1 
ATOM   756 C CD  . GLU A 1 94  ? -5.116  10.519 -22.967 1.00 94.15  ? 94  GLU A CD  1 
ATOM   757 O OE1 . GLU A 1 94  ? -4.503  11.236 -23.785 1.00 105.91 ? 94  GLU A OE1 1 
ATOM   758 O OE2 . GLU A 1 94  ? -6.090  9.782  -23.244 1.00 103.05 ? 94  GLU A OE2 1 
ATOM   759 N N   . SER A 1 95  ? -1.413  13.047 -19.766 1.00 69.68  ? 95  SER A N   1 
ATOM   760 C CA  . SER A 1 95  ? -0.183  13.803 -19.716 1.00 64.97  ? 95  SER A CA  1 
ATOM   761 C C   . SER A 1 95  ? 0.552   13.360 -18.469 1.00 68.07  ? 95  SER A C   1 
ATOM   762 O O   . SER A 1 95  ? 1.761   13.178 -18.525 1.00 66.27  ? 95  SER A O   1 
ATOM   763 C CB  . SER A 1 95  ? -0.375  15.305 -19.783 1.00 66.47  ? 95  SER A CB  1 
ATOM   764 O OG  . SER A 1 95  ? -1.041  15.794 -18.632 1.00 67.71  ? 95  SER A OG  1 
ATOM   765 N N   . TRP A 1 96  ? -0.177  13.100 -17.377 1.00 61.05  ? 96  TRP A N   1 
ATOM   766 C CA  . TRP A 1 96  ? 0.542   12.694 -16.185 1.00 63.70  ? 96  TRP A CA  1 
ATOM   767 C C   . TRP A 1 96  ? 1.116   11.295 -16.323 1.00 69.98  ? 96  TRP A C   1 
ATOM   768 O O   . TRP A 1 96  ? 2.101   11.021 -15.641 1.00 69.99  ? 96  TRP A O   1 
ATOM   769 C CB  . TRP A 1 96  ? -0.259  12.833 -14.889 1.00 56.32  ? 96  TRP A CB  1 
ATOM   770 C CG  . TRP A 1 96  ? -0.192  14.221 -14.327 1.00 67.15  ? 96  TRP A CG  1 
ATOM   771 C CD1 . TRP A 1 96  ? -1.165  15.171 -14.399 1.00 72.29  ? 96  TRP A CD1 1 
ATOM   772 C CD2 . TRP A 1 96  ? 0.928   14.850 -13.668 1.00 68.50  ? 96  TRP A CD2 1 
ATOM   773 N NE1 . TRP A 1 96  ? -0.748  16.323 -13.791 1.00 68.52  ? 96  TRP A NE1 1 
ATOM   774 C CE2 . TRP A 1 96  ? 0.532   16.167 -13.349 1.00 71.20  ? 96  TRP A CE2 1 
ATOM   775 C CE3 . TRP A 1 96  ? 2.211   14.442 -13.317 1.00 65.23  ? 96  TRP A CE3 1 
ATOM   776 C CZ2 . TRP A 1 96  ? 1.372   17.066 -12.694 1.00 69.84  ? 96  TRP A CZ2 1 
ATOM   777 C CZ3 . TRP A 1 96  ? 3.032   15.332 -12.664 1.00 70.47  ? 96  TRP A CZ3 1 
ATOM   778 C CH2 . TRP A 1 96  ? 2.624   16.622 -12.355 1.00 64.15  ? 96  TRP A CH2 1 
ATOM   779 N N   . SER A 1 97  ? 0.483   10.406 -17.119 1.00 70.18  ? 97  SER A N   1 
ATOM   780 C CA  . SER A 1 97  ? 0.977   9.037  -17.182 1.00 73.59  ? 97  SER A CA  1 
ATOM   781 C C   . SER A 1 97  ? 2.208   8.969  -18.078 1.00 68.63  ? 97  SER A C   1 
ATOM   782 O O   . SER A 1 97  ? 3.113   8.222  -17.748 1.00 70.44  ? 97  SER A O   1 
ATOM   783 C CB  . SER A 1 97  ? -0.059  7.996  -17.545 1.00 76.94  ? 97  SER A CB  1 
ATOM   784 O OG  . SER A 1 97  ? -0.992  8.490  -18.482 1.00 89.10  ? 97  SER A OG  1 
ATOM   785 N N   . ARG A 1 98  ? 2.260   9.786  -19.146 1.00 65.68  ? 98  ARG A N   1 
ATOM   786 C CA  . ARG A 1 98  ? 3.494   10.016 -19.892 1.00 73.60  ? 98  ARG A CA  1 
ATOM   787 C C   . ARG A 1 98  ? 4.598   10.479 -18.939 1.00 74.09  ? 98  ARG A C   1 
ATOM   788 O O   . ARG A 1 98  ? 5.723   9.985  -18.966 1.00 80.34  ? 98  ARG A O   1 
ATOM   789 C CB  . ARG A 1 98  ? 3.316   11.043 -21.019 1.00 70.89  ? 98  ARG A CB  1 
ATOM   790 C CG  . ARG A 1 98  ? 2.262   10.608 -22.030 1.00 76.42  ? 98  ARG A CG  1 
ATOM   791 C CD  . ARG A 1 98  ? 2.248   11.284 -23.405 1.00 79.49  ? 98  ARG A CD  1 
ATOM   792 N NE  . ARG A 1 98  ? 1.869   12.704 -23.354 1.00 82.44  ? 98  ARG A NE  1 
ATOM   793 C CZ  . ARG A 1 98  ? 0.663   13.186 -23.065 1.00 85.42  ? 98  ARG A CZ  1 
ATOM   794 N NH1 . ARG A 1 98  ? -0.396  12.396 -22.866 1.00 85.51  ? 98  ARG A NH1 1 
ATOM   795 N NH2 . ARG A 1 98  ? 0.527   14.488 -22.943 1.00 88.08  ? 98  ARG A NH2 1 
ATOM   796 N N   . VAL A 1 99  ? 4.259   11.413 -18.055 1.00 70.25  ? 99  VAL A N   1 
ATOM   797 C CA  . VAL A 1 99  ? 5.244   11.987 -17.163 1.00 67.98  ? 99  VAL A CA  1 
ATOM   798 C C   . VAL A 1 99  ? 5.797   10.898 -16.259 1.00 67.13  ? 99  VAL A C   1 
ATOM   799 O O   . VAL A 1 99  ? 7.005   10.825 -16.034 1.00 65.40  ? 99  VAL A O   1 
ATOM   800 C CB  . VAL A 1 99  ? 4.661   13.142 -16.338 1.00 66.59  ? 99  VAL A CB  1 
ATOM   801 C CG1 . VAL A 1 99  ? 5.515   13.472 -15.124 1.00 65.62  ? 99  VAL A CG1 1 
ATOM   802 C CG2 . VAL A 1 99  ? 4.446   14.385 -17.193 1.00 68.47  ? 99  VAL A CG2 1 
ATOM   803 N N   . ASP A 1 100 ? 4.898   10.077 -15.726 1.00 62.06  ? 100 ASP A N   1 
ATOM   804 C CA  . ASP A 1 100 ? 5.304   8.987  -14.851 1.00 72.23  ? 100 ASP A CA  1 
ATOM   805 C C   . ASP A 1 100 ? 6.164   7.973  -15.603 1.00 74.37  ? 100 ASP A C   1 
ATOM   806 O O   . ASP A 1 100 ? 6.962   7.270  -14.982 1.00 64.25  ? 100 ASP A O   1 
ATOM   807 C CB  . ASP A 1 100 ? 4.123   8.188  -14.339 1.00 76.64  ? 100 ASP A CB  1 
ATOM   808 C CG  . ASP A 1 100 ? 3.170   8.935  -13.424 1.00 81.40  ? 100 ASP A CG  1 
ATOM   809 O OD1 . ASP A 1 100 ? 3.606   9.896  -12.774 1.00 94.94  ? 100 ASP A OD1 1 
ATOM   810 O OD2 . ASP A 1 100 ? 1.997   8.543  -13.380 1.00 87.57  ? 100 ASP A OD2 1 
ATOM   811 N N   . LYS A 1 101 ? 5.945   7.862  -16.920 1.00 68.86  ? 101 LYS A N   1 
ATOM   812 C CA  . LYS A 1 101 ? 6.748   6.972  -17.735 1.00 71.01  ? 101 LYS A CA  1 
ATOM   813 C C   . LYS A 1 101 ? 8.174   7.512  -17.908 1.00 73.99  ? 101 LYS A C   1 
ATOM   814 O O   . LYS A 1 101 ? 9.181   6.798  -17.753 1.00 69.61  ? 101 LYS A O   1 
ATOM   815 C CB  . LYS A 1 101 ? 5.983   6.835  -19.047 1.00 77.19  ? 101 LYS A CB  1 
ATOM   816 C CG  . LYS A 1 101 ? 6.609   5.860  -20.010 1.00 85.29  ? 101 LYS A CG  1 
ATOM   817 C CD  . LYS A 1 101 ? 6.999   4.533  -19.368 1.00 93.82  ? 101 LYS A CD  1 
ATOM   818 C CE  . LYS A 1 101 ? 7.227   3.500  -20.424 1.00 96.48  ? 101 LYS A CE  1 
ATOM   819 N NZ  . LYS A 1 101 ? 8.433   2.735  -20.127 1.00 103.51 ? 101 LYS A NZ  1 
ATOM   820 N N   . ILE A 1 102 ? 8.233   8.795  -18.262 1.00 68.68  ? 102 ILE A N   1 
ATOM   821 C CA  . ILE A 1 102 ? 9.480   9.522  -18.368 1.00 67.98  ? 102 ILE A CA  1 
ATOM   822 C C   . ILE A 1 102 ? 10.306  9.304  -17.112 1.00 68.00  ? 102 ILE A C   1 
ATOM   823 O O   . ILE A 1 102 ? 11.520  9.154  -17.167 1.00 66.41  ? 102 ILE A O   1 
ATOM   824 C CB  . ILE A 1 102 ? 9.207   11.013 -18.598 1.00 62.17  ? 102 ILE A CB  1 
ATOM   825 C CG1 . ILE A 1 102 ? 8.701   11.231 -20.023 1.00 65.93  ? 102 ILE A CG1 1 
ATOM   826 C CG2 . ILE A 1 102 ? 10.463  11.838 -18.289 1.00 68.29  ? 102 ILE A CG2 1 
ATOM   827 C CD1 . ILE A 1 102 ? 8.172   12.629 -20.304 1.00 65.60  ? 102 ILE A CD1 1 
ATOM   828 N N   . ILE A 1 103 ? 9.641   9.311  -15.973 1.00 64.00  ? 103 ILE A N   1 
ATOM   829 C CA  . ILE A 1 103 ? 10.368  9.193  -14.734 1.00 64.19  ? 103 ILE A CA  1 
ATOM   830 C C   . ILE A 1 103 ? 10.826  7.747  -14.533 1.00 77.89  ? 103 ILE A C   1 
ATOM   831 O O   . ILE A 1 103 ? 11.946  7.525  -14.061 1.00 75.23  ? 103 ILE A O   1 
ATOM   832 C CB  . ILE A 1 103 ? 9.504   9.797  -13.623 1.00 64.99  ? 103 ILE A CB  1 
ATOM   833 C CG1 . ILE A 1 103 ? 9.455   11.301 -13.885 1.00 68.46  ? 103 ILE A CG1 1 
ATOM   834 C CG2 . ILE A 1 103 ? 9.996   9.423  -12.225 1.00 67.73  ? 103 ILE A CG2 1 
ATOM   835 C CD1 . ILE A 1 103 ? 9.068   12.134 -12.710 1.00 71.28  ? 103 ILE A CD1 1 
ATOM   836 N N   . GLU A 1 104 ? 10.016  6.774  -14.961 1.00 75.71  ? 104 GLU A N   1 
ATOM   837 C CA  . GLU A 1 104 ? 10.475  5.397  -14.964 1.00 78.64  ? 104 GLU A CA  1 
ATOM   838 C C   . GLU A 1 104 ? 11.766  5.321  -15.776 1.00 77.85  ? 104 GLU A C   1 
ATOM   839 O O   . GLU A 1 104 ? 12.803  4.887  -15.283 1.00 76.90  ? 104 GLU A O   1 
ATOM   840 C CB  . GLU A 1 104 ? 9.407   4.486  -15.560 1.00 79.49  ? 104 GLU A CB  1 
ATOM   841 C CG  . GLU A 1 104 ? 8.393   3.983  -14.544 1.00 88.60  ? 104 GLU A CG  1 
ATOM   842 C CD  . GLU A 1 104 ? 7.082   3.555  -15.190 1.00 98.11  ? 104 GLU A CD  1 
ATOM   843 O OE1 . GLU A 1 104 ? 7.075   3.288  -16.414 1.00 101.45 ? 104 GLU A OE1 1 
ATOM   844 O OE2 . GLU A 1 104 ? 6.051   3.570  -14.482 1.00 90.97  ? 104 GLU A OE2 1 
ATOM   845 N N   . ASN A 1 105 ? 11.675  5.802  -17.018 1.00 74.84  ? 105 ASN A N   1 
ATOM   846 C CA  . ASN A 1 105 ? 12.791  5.818  -17.951 1.00 76.22  ? 105 ASN A CA  1 
ATOM   847 C C   . ASN A 1 105 ? 14.032  6.505  -17.405 1.00 75.81  ? 105 ASN A C   1 
ATOM   848 O O   . ASN A 1 105 ? 15.133  6.124  -17.764 1.00 91.34  ? 105 ASN A O   1 
ATOM   849 C CB  . ASN A 1 105 ? 12.420  6.493  -19.262 1.00 73.68  ? 105 ASN A CB  1 
ATOM   850 C CG  . ASN A 1 105 ? 11.333  5.698  -19.926 1.00 74.31  ? 105 ASN A CG  1 
ATOM   851 O OD1 . ASN A 1 105 ? 10.964  4.642  -19.414 1.00 82.82  ? 105 ASN A OD1 1 
ATOM   852 N ND2 . ASN A 1 105 ? 10.782  6.199  -21.018 1.00 79.95  ? 105 ASN A ND2 1 
ATOM   853 N N   . LEU A 1 106 ? 13.896  7.534  -16.580 1.00 81.69  ? 106 LEU A N   1 
ATOM   854 C CA  . LEU A 1 106 ? 15.093  8.124  -15.994 1.00 82.02  ? 106 LEU A CA  1 
ATOM   855 C C   . LEU A 1 106 ? 15.777  7.148  -15.035 1.00 73.16  ? 106 LEU A C   1 
ATOM   856 O O   . LEU A 1 106 ? 16.993  7.096  -14.999 1.00 83.84  ? 106 LEU A O   1 
ATOM   857 C CB  . LEU A 1 106 ? 14.717  9.414  -15.285 1.00 76.19  ? 106 LEU A CB  1 
ATOM   858 C CG  . LEU A 1 106 ? 14.233  10.528 -16.216 1.00 81.99  ? 106 LEU A CG  1 
ATOM   859 C CD1 . LEU A 1 106 ? 13.398  11.528 -15.447 1.00 72.51  ? 106 LEU A CD1 1 
ATOM   860 C CD2 . LEU A 1 106 ? 15.425  11.225 -16.880 1.00 80.23  ? 106 LEU A CD2 1 
ATOM   861 N N   . GLU A 1 107 ? 14.994  6.481  -14.189 1.00 76.08  ? 107 GLU A N   1 
ATOM   862 C CA  . GLU A 1 107 ? 15.498  5.497  -13.248 1.00 88.77  ? 107 GLU A CA  1 
ATOM   863 C C   . GLU A 1 107 ? 16.098  4.333  -14.032 1.00 91.89  ? 107 GLU A C   1 
ATOM   864 O O   . GLU A 1 107 ? 17.219  3.919  -13.755 1.00 90.54  ? 107 GLU A O   1 
ATOM   865 C CB  . GLU A 1 107 ? 14.368  5.023  -12.337 1.00 95.22  ? 107 GLU A CB  1 
ATOM   866 C CG  . GLU A 1 107 ? 13.778  6.145  -11.486 1.00 97.43  ? 107 GLU A CG  1 
ATOM   867 C CD  . GLU A 1 107 ? 12.530  5.783  -10.694 1.00 102.61 ? 107 GLU A CD  1 
ATOM   868 O OE1 . GLU A 1 107 ? 12.108  4.605  -10.692 1.00 122.68 ? 107 GLU A OE1 1 
ATOM   869 O OE2 . GLU A 1 107 ? 11.966  6.705  -10.073 1.00 92.43  ? 107 GLU A OE2 1 
ATOM   870 N N   . ALA A 1 108 ? 15.368  3.871  -15.054 1.00 88.05  ? 108 ALA A N   1 
ATOM   871 C CA  . ALA A 1 108 ? 15.827  2.826  -15.959 1.00 82.46  ? 108 ALA A CA  1 
ATOM   872 C C   . ALA A 1 108 ? 17.188  3.162  -16.571 1.00 84.69  ? 108 ALA A C   1 
ATOM   873 O O   . ALA A 1 108 ? 18.126  2.371  -16.491 1.00 79.08  ? 108 ALA A O   1 
ATOM   874 C CB  . ALA A 1 108 ? 14.782  2.627  -17.035 1.00 83.81  ? 108 ALA A CB  1 
ATOM   875 N N   . ASN A 1 109 ? 17.291  4.345  -17.193 1.00 84.49  ? 109 ASN A N   1 
ATOM   876 C CA  . ASN A 1 109 ? 18.499  4.769  -17.890 1.00 86.12  ? 109 ASN A CA  1 
ATOM   877 C C   . ASN A 1 109 ? 19.638  4.940  -16.899 1.00 86.40  ? 109 ASN A C   1 
ATOM   878 O O   . ASN A 1 109 ? 20.791  4.622  -17.210 1.00 81.40  ? 109 ASN A O   1 
ATOM   879 C CB  . ASN A 1 109 ? 18.320  6.055  -18.695 1.00 80.38  ? 109 ASN A CB  1 
ATOM   880 C CG  . ASN A 1 109 ? 17.359  5.848  -19.842 1.00 85.31  ? 109 ASN A CG  1 
ATOM   881 O OD1 . ASN A 1 109 ? 17.139  4.704  -20.246 1.00 76.53  ? 109 ASN A OD1 1 
ATOM   882 N ND2 . ASN A 1 109 ? 16.754  6.910  -20.362 1.00 84.77  ? 109 ASN A ND2 1 
ATOM   883 N N   . LYS A 1 110 ? 19.309  5.435  -15.704 1.00 82.71  ? 110 LYS A N   1 
ATOM   884 C CA  . LYS A 1 110 ? 20.358  5.625  -14.722 1.00 95.96  ? 110 LYS A CA  1 
ATOM   885 C C   . LYS A 1 110 ? 20.993  4.262  -14.459 1.00 102.73 ? 110 LYS A C   1 
ATOM   886 O O   . LYS A 1 110 ? 22.197  4.081  -14.623 1.00 114.93 ? 110 LYS A O   1 
ATOM   887 C CB  . LYS A 1 110 ? 19.893  6.208  -13.383 1.00 96.89  ? 110 LYS A CB  1 
ATOM   888 C CG  . LYS A 1 110 ? 21.103  6.714  -12.613 1.00 104.55 ? 110 LYS A CG  1 
ATOM   889 C CD  . LYS A 1 110 ? 21.001  6.846  -11.102 1.00 107.11 ? 110 LYS A CD  1 
ATOM   890 C CE  . LYS A 1 110 ? 22.394  7.098  -10.603 1.00 115.69 ? 110 LYS A CE  1 
ATOM   891 N NZ  . LYS A 1 110 ? 22.445  7.527  -9.206  1.00 122.63 ? 110 LYS A NZ  1 
ATOM   892 N N   . LYS A 1 111 ? 20.122  3.317  -14.087 1.00 109.10 ? 111 LYS A N   1 
ATOM   893 C CA  . LYS A 1 111 ? 20.489  1.984  -13.649 1.00 108.18 ? 111 LYS A CA  1 
ATOM   894 C C   . LYS A 1 111 ? 21.303  1.294  -14.742 1.00 116.10 ? 111 LYS A C   1 
ATOM   895 O O   . LYS A 1 111 ? 22.419  0.841  -14.494 1.00 126.75 ? 111 LYS A O   1 
ATOM   896 C CB  . LYS A 1 111 ? 19.180  1.250  -13.334 1.00 103.00 ? 111 LYS A CB  1 
ATOM   897 C CG  . LYS A 1 111 ? 19.364  0.023  -12.496 1.00 109.92 ? 111 LYS A CG  1 
ATOM   898 C CD  . LYS A 1 111 ? 18.192  -0.937 -12.549 1.00 114.30 ? 111 LYS A CD  1 
ATOM   899 C CE  . LYS A 1 111 ? 18.693  -2.310 -12.239 1.00 120.65 ? 111 LYS A CE  1 
ATOM   900 N NZ  . LYS A 1 111 ? 17.607  -3.285 -12.337 1.00 125.59 ? 111 LYS A NZ  1 
ATOM   901 N N   . SER A 1 112 ? 20.737  1.285  -15.957 1.00 119.77 ? 112 SER A N   1 
ATOM   902 C CA  . SER A 1 112 ? 21.292  0.622  -17.129 1.00 116.67 ? 112 SER A CA  1 
ATOM   903 C C   . SER A 1 112 ? 22.716  1.078  -17.450 1.00 127.31 ? 112 SER A C   1 
ATOM   904 O O   . SER A 1 112 ? 23.463  0.344  -18.095 1.00 142.38 ? 112 SER A O   1 
ATOM   905 C CB  . SER A 1 112 ? 20.386  0.815  -18.328 1.00 109.99 ? 112 SER A CB  1 
ATOM   906 O OG  . SER A 1 112 ? 21.152  0.938  -19.518 1.00 108.57 ? 112 SER A OG  1 
ATOM   907 N N   . GLU A 1 113 ? 23.085  2.294  -17.031 1.00 133.52 ? 113 GLU A N   1 
ATOM   908 C CA  . GLU A 1 113 ? 24.431  2.792  -17.257 1.00 137.48 ? 113 GLU A CA  1 
ATOM   909 C C   . GLU A 1 113 ? 25.313  2.582  -16.030 1.00 140.31 ? 113 GLU A C   1 
ATOM   910 O O   . GLU A 1 113 ? 26.518  2.786  -16.115 1.00 140.88 ? 113 GLU A O   1 
ATOM   911 C CB  . GLU A 1 113 ? 24.406  4.258  -17.669 1.00 136.12 ? 113 GLU A CB  1 
ATOM   912 C CG  . GLU A 1 113 ? 23.672  4.466  -18.986 1.00 140.87 ? 113 GLU A CG  1 
ATOM   913 C CD  . GLU A 1 113 ? 23.366  5.929  -19.207 1.00 152.51 ? 113 GLU A CD  1 
ATOM   914 O OE1 . GLU A 1 113 ? 24.342  6.708  -19.212 1.00 148.51 ? 113 GLU A OE1 1 
ATOM   915 O OE2 . GLU A 1 113 ? 22.172  6.288  -19.343 1.00 158.62 ? 113 GLU A OE2 1 
ATOM   916 N N   . ALA A 1 114 ? 24.726  2.167  -14.899 1.00 138.23 ? 114 ALA A N   1 
ATOM   917 C CA  . ALA A 1 114 ? 25.500  1.492  -13.867 1.00 144.49 ? 114 ALA A CA  1 
ATOM   918 C C   . ALA A 1 114 ? 26.060  0.176  -14.429 1.00 152.07 ? 114 ALA A C   1 
ATOM   919 O O   . ALA A 1 114 ? 26.838  -0.508 -13.762 1.00 141.62 ? 114 ALA A O   1 
ATOM   920 C CB  . ALA A 1 114 ? 24.664  1.286  -12.610 1.00 131.12 ? 114 ALA A CB  1 
ATOM   921 N N   . ILE A 1 115 ? 25.653  -0.181 -15.662 1.00 149.75 ? 115 ILE A N   1 
ATOM   922 C CA  . ILE A 1 115 ? 26.314  -1.215 -16.445 1.00 140.88 ? 115 ILE A CA  1 
ATOM   923 C C   . ILE A 1 115 ? 26.703  -0.620 -17.810 1.00 126.15 ? 115 ILE A C   1 
ATOM   924 O O   . ILE A 1 115 ? 27.728  0.082  -17.856 1.00 112.19 ? 115 ILE A O   1 
ATOM   925 C CB  . ILE A 1 115 ? 25.408  -2.447 -16.627 1.00 138.44 ? 115 ILE A CB  1 
ATOM   926 C CG1 . ILE A 1 115 ? 24.640  -2.814 -15.336 1.00 134.40 ? 115 ILE A CG1 1 
ATOM   927 C CG2 . ILE A 1 115 ? 26.231  -3.621 -17.161 1.00 138.91 ? 115 ILE A CG2 1 
ATOM   928 C CD1 . ILE A 1 115 ? 23.158  -3.085 -15.539 1.00 123.45 ? 115 ILE A CD1 1 
HETATM 929 O O   . HOH B 2 .   ? -19.290 28.719 -8.547  1.00 61.02  ? 201 HOH A O   1 
HETATM 930 O O   . HOH B 2 .   ? -22.734 27.788 -15.498 1.00 69.93  ? 202 HOH A O   1 
HETATM 931 O O   . HOH B 2 .   ? -5.966  9.809  -8.694  1.00 76.75  ? 203 HOH A O   1 
HETATM 932 O O   . HOH B 2 .   ? -19.313 32.177 -4.578  1.00 60.98  ? 204 HOH A O   1 
HETATM 933 O O   . HOH B 2 .   ? -21.178 13.773 -6.948  1.00 63.08  ? 205 HOH A O   1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1   N N   . GLU A 3   ? 1.1251 1.5093 1.4018 -0.0008 -0.1172 -0.0281 3   GLU A N   
2   C CA  . GLU A 3   ? 1.1805 1.5379 1.4490 -0.0025 -0.1119 -0.0223 3   GLU A CA  
3   C C   . GLU A 3   ? 1.1363 1.4553 1.4102 -0.0071 -0.1056 -0.0124 3   GLU A C   
4   O O   . GLU A 3   ? 1.2545 1.5677 1.5376 -0.0090 -0.1053 -0.0103 3   GLU A O   
5   C CB  . GLU A 3   ? 1.1834 1.5388 1.4540 -0.0140 -0.1124 -0.0418 3   GLU A CB  
6   C CG  . GLU A 3   ? 1.2500 1.5880 1.5362 -0.0276 -0.1103 -0.0543 3   GLU A CG  
7   C CD  . GLU A 3   ? 1.3959 1.7193 1.6860 -0.0385 -0.1061 -0.0681 3   GLU A CD  
8   O OE1 . GLU A 3   ? 1.4117 1.7385 1.6915 -0.0360 -0.1058 -0.0686 3   GLU A OE1 
9   O OE2 . GLU A 3   ? 1.3163 1.6250 1.6201 -0.0485 -0.1019 -0.0773 3   GLU A OE2 
10  N N   . ILE A 4   ? 1.0338 1.3291 1.3023 -0.0087 -0.1007 -0.0070 4   ILE A N   
11  C CA  . ILE A 4   ? 0.8191 1.0822 1.0934 -0.0149 -0.0955 -0.0029 4   ILE A CA  
12  C C   . ILE A 4   ? 0.7494 1.0013 1.0278 -0.0266 -0.0951 -0.0173 4   ILE A C   
13  O O   . ILE A 4   ? 0.7376 0.9914 1.0104 -0.0285 -0.0948 -0.0235 4   ILE A O   
14  C CB  . ILE A 4   ? 0.9187 1.1645 1.1875 -0.0096 -0.0894 0.0105  4   ILE A CB  
15  C CG1 . ILE A 4   ? 0.8981 1.1517 1.1662 0.0023  -0.0862 0.0262  4   ILE A CG1 
16  C CG2 . ILE A 4   ? 0.9726 1.1906 1.2476 -0.0169 -0.0850 0.0107  4   ILE A CG2 
17  C CD1 . ILE A 4   ? 1.0151 1.2620 1.2938 0.0023  -0.0843 0.0310  4   ILE A CD1 
18  N N   . PRO A 5   ? 0.6843 0.9252 0.9732 -0.0338 -0.0938 -0.0227 5   PRO A N   
19  C CA  . PRO A 5   ? 0.6988 0.9283 0.9935 -0.0432 -0.0905 -0.0340 5   PRO A CA  
20  C C   . PRO A 5   ? 0.7916 1.0010 1.0800 -0.0439 -0.0858 -0.0291 5   PRO A C   
21  O O   . PRO A 5   ? 0.7256 0.9228 1.0102 -0.0401 -0.0841 -0.0181 5   PRO A O   
22  C CB  . PRO A 5   ? 0.6468 0.8673 0.9531 -0.0472 -0.0883 -0.0349 5   PRO A CB  
23  C CG  . PRO A 5   ? 0.6902 0.9078 0.9939 -0.0406 -0.0895 -0.0218 5   PRO A CG  
24  C CD  . PRO A 5   ? 0.5906 0.8275 0.8866 -0.0323 -0.0935 -0.0164 5   PRO A CD  
25  N N   . LYS A 6   ? 0.8029 1.0098 1.0920 -0.0491 -0.0830 -0.0386 6   LYS A N   
26  C CA  . LYS A 6   ? 0.9368 1.1259 1.2213 -0.0500 -0.0782 -0.0348 6   LYS A CA  
27  C C   . LYS A 6   ? 0.8306 1.0022 1.1173 -0.0493 -0.0749 -0.0257 6   LYS A C   
28  O O   . LYS A 6   ? 0.7996 0.9624 1.0805 -0.0464 -0.0736 -0.0183 6   LYS A O   
29  C CB  . LYS A 6   ? 1.0509 1.2380 1.3407 -0.0566 -0.0734 -0.0470 6   LYS A CB  
30  C CG  . LYS A 6   ? 1.2484 1.4517 1.5303 -0.0553 -0.0767 -0.0534 6   LYS A CG  
31  C CD  . LYS A 6   ? 1.4565 1.6659 1.7454 -0.0623 -0.0728 -0.0701 6   LYS A CD  
32  C CE  . LYS A 6   ? 1.4361 1.6720 1.7173 -0.0594 -0.0789 -0.0780 6   LYS A CE  
33  N NZ  . LYS A 6   ? 1.3477 1.5867 1.6316 -0.0650 -0.0745 -0.0923 6   LYS A NZ  
34  N N   . GLU A 7   ? 0.7223 0.8913 1.0182 -0.0515 -0.0735 -0.0270 7   GLU A N   
35  C CA  . GLU A 7   ? 0.7014 0.8571 0.9987 -0.0503 -0.0699 -0.0200 7   GLU A CA  
36  C C   . GLU A 7   ? 0.7750 0.9307 1.0673 -0.0455 -0.0729 -0.0116 7   GLU A C   
37  O O   . GLU A 7   ? 0.6130 0.7607 0.9042 -0.0441 -0.0705 -0.0072 7   GLU A O   
38  C CB  . GLU A 7   ? 0.7250 0.8776 1.0320 -0.0519 -0.0668 -0.0208 7   GLU A CB  
39  C CG  . GLU A 7   ? 1.0565 1.2112 1.3742 -0.0572 -0.0626 -0.0305 7   GLU A CG  
40  C CD  . GLU A 7   ? 1.1514 1.3228 1.4730 -0.0595 -0.0682 -0.0390 7   GLU A CD  
41  O OE1 . GLU A 7   ? 1.0624 1.2409 1.3860 -0.0575 -0.0725 -0.0363 7   GLU A OE1 
42  O OE2 . GLU A 7   ? 1.1618 1.3414 1.4846 -0.0628 -0.0682 -0.0487 7   GLU A OE2 
43  N N   . MET A 8   ? 0.6850 0.8514 0.9764 -0.0426 -0.0770 -0.0098 8   MET A N   
44  C CA  . MET A 8   ? 0.6880 0.8530 0.9787 -0.0379 -0.0770 -0.0015 8   MET A CA  
45  C C   . MET A 8   ? 0.6283 0.7893 0.9127 -0.0349 -0.0750 0.0031  8   MET A C   
46  O O   . MET A 8   ? 0.5498 0.7034 0.8369 -0.0333 -0.0717 0.0076  8   MET A O   
47  C CB  . MET A 8   ? 0.6350 0.8131 0.9280 -0.0340 -0.0801 0.0012  8   MET A CB  
48  C CG  . MET A 8   ? 0.7086 0.8821 1.0058 -0.0297 -0.0772 0.0098  8   MET A CG  
49  S SD  . MET A 8   ? 0.7513 0.9388 1.0529 -0.0233 -0.0787 0.0160  8   MET A SD  
50  C CE  . MET A 8   ? 0.8260 1.0137 1.1357 -0.0290 -0.0811 0.0089  8   MET A CE  
51  N N   . LEU A 9   ? 0.5699 0.7377 0.8474 -0.0341 -0.0765 0.0010  9   LEU A N   
52  C CA  . LEU A 9   ? 0.6849 0.8489 0.9558 -0.0317 -0.0742 0.0045  9   LEU A CA  
53  C C   . LEU A 9   ? 0.6414 0.7915 0.9137 -0.0351 -0.0707 0.0035  9   LEU A C   
54  O O   . LEU A 9   ? 0.7024 0.8463 0.9761 -0.0332 -0.0674 0.0081  9   LEU A O   
55  C CB  . LEU A 9   ? 0.7153 0.8906 0.9795 -0.0321 -0.0769 -0.0015 9   LEU A CB  
56  C CG  . LEU A 9   ? 0.9878 1.1839 1.2495 -0.0269 -0.0811 -0.0011 9   LEU A CG  
57  C CD1 . LEU A 9   ? 1.0998 1.3140 1.3567 -0.0281 -0.0847 -0.0116 9   LEU A CD1 
58  C CD2 . LEU A 9   ? 1.0708 1.2669 1.3288 -0.0180 -0.0779 0.0121  9   LEU A CD2 
59  N N   . ARG A 10  ? 0.6160 0.7628 0.8901 -0.0397 -0.0703 -0.0024 10  ARG A N   
60  C CA  . ARG A 10  ? 0.6566 0.7944 0.9313 -0.0411 -0.0667 -0.0024 10  ARG A CA  
61  C C   . ARG A 10  ? 0.6784 0.8141 0.9582 -0.0397 -0.0658 0.0005  10  ARG A C   
62  O O   . ARG A 10  ? 0.5710 0.7038 0.8511 -0.0389 -0.0635 0.0015  10  ARG A O   
63  C CB  . ARG A 10  ? 0.6341 0.7695 0.9114 -0.0444 -0.0642 -0.0074 10  ARG A CB  
64  C CG  . ARG A 10  ? 0.7167 0.8457 0.9945 -0.0434 -0.0596 -0.0050 10  ARG A CG  
65  C CD  . ARG A 10  ? 0.8231 0.9486 1.0954 -0.0422 -0.0578 -0.0031 10  ARG A CD  
66  N NE  . ARG A 10  ? 0.9857 1.1107 1.2598 -0.0396 -0.0545 -0.0002 10  ARG A NE  
67  C CZ  . ARG A 10  ? 0.8782 1.0006 1.1527 -0.0380 -0.0489 0.0014  10  ARG A CZ  
68  N NH1 . ARG A 10  ? 0.8194 0.9359 1.0934 -0.0399 -0.0448 -0.0002 10  ARG A NH1 
69  N NH2 . ARG A 10  ? 1.0137 1.1411 1.2896 -0.0335 -0.0465 0.0050  10  ARG A NH2 
70  N N   . ALA A 11  ? 0.5612 0.7000 0.8462 -0.0396 -0.0673 0.0005  11  ALA A N   
71  C CA  . ALA A 11  ? 0.5642 0.7028 0.8555 -0.0388 -0.0660 0.0012  11  ALA A CA  
72  C C   . ALA A 11  ? 0.5984 0.7353 0.8926 -0.0370 -0.0635 0.0039  11  ALA A C   
73  O O   . ALA A 11  ? 0.5942 0.7304 0.8942 -0.0376 -0.0606 0.0016  11  ALA A O   
74  C CB  . ALA A 11  ? 0.6080 0.7499 0.9045 -0.0390 -0.0676 0.0010  11  ALA A CB  
75  N N   . GLN A 12  ? 0.5672 0.7052 0.8588 -0.0344 -0.0637 0.0085  12  GLN A N   
76  C CA  . GLN A 12  ? 0.6312 0.7661 0.9270 -0.0312 -0.0586 0.0135  12  GLN A CA  
77  C C   . GLN A 12  ? 0.6249 0.7551 0.9195 -0.0322 -0.0557 0.0122  12  GLN A C   
78  O O   . GLN A 12  ? 0.5643 0.6911 0.8683 -0.0326 -0.0502 0.0113  12  GLN A O   
79  C CB  . GLN A 12  ? 0.5886 0.7291 0.8799 -0.0257 -0.0589 0.0208  12  GLN A CB  
80  C CG  . GLN A 12  ? 0.6296 0.7758 0.9258 -0.0235 -0.0600 0.0235  12  GLN A CG  
81  C CD  . GLN A 12  ? 0.6635 0.8220 0.9535 -0.0170 -0.0623 0.0297  12  GLN A CD  
82  O OE1 . GLN A 12  ? 0.6960 0.8610 0.9764 -0.0148 -0.0645 0.0300  12  GLN A OE1 
83  N NE2 . GLN A 12  ? 0.6776 0.8422 0.9727 -0.0135 -0.0622 0.0337  12  GLN A NE2 
84  N N   . THR A 13  ? 0.5730 0.7036 0.8576 -0.0328 -0.0584 0.0113  13  THR A N   
85  C CA  . THR A 13  ? 0.6016 0.7283 0.8835 -0.0332 -0.0559 0.0108  13  THR A CA  
86  C C   . THR A 13  ? 0.6167 0.7435 0.9047 -0.0361 -0.0549 0.0052  13  THR A C   
87  O O   . THR A 13  ? 0.5549 0.6804 0.8495 -0.0364 -0.0508 0.0038  13  THR A O   
88  C CB  . THR A 13  ? 0.5779 0.7054 0.8489 -0.0337 -0.0586 0.0099  13  THR A CB  
89  O OG1 . THR A 13  ? 0.6011 0.7340 0.8678 -0.0298 -0.0596 0.0141  13  THR A OG1 
90  C CG2 . THR A 13  ? 0.6090 0.7321 0.8767 -0.0335 -0.0556 0.0104  13  THR A CG2 
91  N N   . ASN A 14  ? 0.5358 0.6662 0.8233 -0.0375 -0.0579 0.0020  14  ASN A N   
92  C CA  . ASN A 14  ? 0.5336 0.6694 0.8259 -0.0381 -0.0571 -0.0026 14  ASN A CA  
93  C C   . ASN A 14  ? 0.6359 0.7746 0.9404 -0.0391 -0.0539 -0.0067 14  ASN A C   
94  O O   . ASN A 14  ? 0.5151 0.6586 0.8251 -0.0399 -0.0515 -0.0117 14  ASN A O   
95  C CB  . ASN A 14  ? 0.5602 0.7010 0.8513 -0.0376 -0.0591 -0.0038 14  ASN A CB  
96  C CG  . ASN A 14  ? 0.7171 0.8563 1.0009 -0.0365 -0.0584 -0.0016 14  ASN A CG  
97  O OD1 . ASN A 14  ? 0.6989 0.8322 0.9776 -0.0372 -0.0577 0.0000  14  ASN A OD1 
98  N ND2 . ASN A 14  ? 0.8933 1.0384 1.1773 -0.0340 -0.0572 -0.0013 14  ASN A ND2 
99  N N   . TY2 A 15  ? 0.5852 0.7220 0.8954 -0.0392 -0.0531 -0.0056 15  TY2 A N   
100 C CA  . TY2 A 15  ? 0.5974 0.7362 0.9223 -0.0407 -0.0483 -0.0108 15  TY2 A CA  
101 C C   . TY2 A 15  ? 0.5765 0.7107 0.9104 -0.0413 -0.0414 -0.0114 15  TY2 A C   
102 O O   . TY2 A 15  ? 0.5396 0.6788 0.8871 -0.0441 -0.0370 -0.0204 15  TY2 A O   
103 C CB  . TY2 A 15  ? 0.5864 0.7217 0.9154 -0.0396 -0.0473 -0.0066 15  TY2 A CB  
104 C CG  . TY2 A 15  ? 0.5573 0.6924 0.9039 -0.0412 -0.0403 -0.0117 15  TY2 A CG  
105 C CD1 . TY2 A 15  ? 0.5880 0.7152 0.9429 -0.0387 -0.0333 -0.0046 15  TY2 A CD1 
106 C CD2 . TY2 A 15  ? 0.6409 0.7856 0.9967 -0.0445 -0.0396 -0.0235 15  TY2 A CD2 
107 C CE1 . TY2 A 15  ? 0.6978 0.8228 1.0715 -0.0402 -0.0245 -0.0090 15  TY2 A CE1 
108 C CE2 . TY2 A 15  ? 0.7260 0.8710 1.1004 -0.0470 -0.0320 -0.0306 15  TY2 A CE2 
109 C CZ  . TY2 A 15  ? 0.7475 0.8807 1.1323 -0.0454 -0.0235 -0.0233 15  TY2 A CZ  
110 O OH  . TY2 A 15  ? 0.6941 0.8253 1.1007 -0.0480 -0.0131 -0.0302 15  TY2 A OH  
111 N NE2 . TY2 A 15  ? 0.7085 0.8671 1.0926 -0.0505 -0.0316 -0.0451 15  TY2 A NE2 
112 N N   . ILE A 16  ? 0.5620 0.6882 0.8896 -0.0384 -0.0399 -0.0024 16  ILE A N   
113 C CA  . ILE A 16  ? 0.5333 0.6532 0.8685 -0.0373 -0.0320 0.0002  16  ILE A CA  
114 C C   . ILE A 16  ? 0.6735 0.7974 1.0099 -0.0402 -0.0320 -0.0069 16  ILE A C   
115 O O   . ILE A 16  ? 0.5774 0.7018 0.9295 -0.0426 -0.0249 -0.0133 16  ILE A O   
116 C CB  . ILE A 16  ? 0.5570 0.6716 0.8805 -0.0318 -0.0320 0.0123  16  ILE A CB  
117 C CG1 . ILE A 16  ? 0.5936 0.7078 0.9193 -0.0274 -0.0300 0.0200  16  ILE A CG1 
118 C CG2 . ILE A 16  ? 0.6366 0.7451 0.9642 -0.0295 -0.0240 0.0166  16  ILE A CG2 
119 C CD1 . ILE A 16  ? 0.6093 0.7259 0.9213 -0.0207 -0.0321 0.0306  16  ILE A CD1 
120 N N   . LEU A 17  ? 0.5647 0.6918 0.8862 -0.0396 -0.0390 -0.0060 17  LEU A N   
121 C CA  . LEU A 17  ? 0.5955 0.7274 0.9158 -0.0407 -0.0394 -0.0103 17  LEU A CA  
122 C C   . LEU A 17  ? 0.5857 0.7315 0.9176 -0.0433 -0.0393 -0.0220 17  LEU A C   
123 O O   . LEU A 17  ? 0.5635 0.7152 0.9046 -0.0450 -0.0359 -0.0287 17  LEU A O   
124 C CB  . LEU A 17  ? 0.5352 0.6676 0.8391 -0.0389 -0.0451 -0.0064 17  LEU A CB  
125 C CG  . LEU A 17  ? 0.5769 0.6997 0.8699 -0.0369 -0.0451 0.0016  17  LEU A CG  
126 C CD1 . LEU A 17  ? 0.6051 0.7281 0.8858 -0.0365 -0.0491 0.0028  17  LEU A CD1 
127 C CD2 . LEU A 17  ? 0.5876 0.7056 0.8837 -0.0362 -0.0396 0.0034  17  LEU A CD2 
128 N N   . LEU A 18  ? 0.5055 0.6587 0.8373 -0.0434 -0.0428 -0.0254 18  LEU A N   
129 C CA  . LEU A 18  ? 0.5255 0.6964 0.8678 -0.0451 -0.0430 -0.0378 18  LEU A CA  
130 C C   . LEU A 18  ? 0.6444 0.8152 1.0084 -0.0496 -0.0350 -0.0473 18  LEU A C   
131 O O   . LEU A 18  ? 0.5514 0.7374 0.9276 -0.0521 -0.0330 -0.0601 18  LEU A O   
132 C CB  . LEU A 18  ? 0.5034 0.6837 0.8410 -0.0433 -0.0477 -0.0393 18  LEU A CB  
133 C CG  . LEU A 18  ? 0.6376 0.8192 0.9582 -0.0387 -0.0528 -0.0309 18  LEU A CG  
134 C CD1 . LEU A 18  ? 0.6090 0.7966 0.9277 -0.0370 -0.0554 -0.0311 18  LEU A CD1 
135 C CD2 . LEU A 18  ? 0.6064 0.8021 0.9229 -0.0352 -0.0536 -0.0326 18  LEU A CD2 
136 N N   . ASN A 19  ? 0.6053 0.7604 0.9757 -0.0501 -0.0291 -0.0413 19  ASN A N   
137 C CA  . ASN A 19  ? 0.6500 0.8021 1.0444 -0.0539 -0.0181 -0.0492 19  ASN A CA  
138 C C   . ASN A 19  ? 0.6592 0.8069 1.0628 -0.0551 -0.0110 -0.0503 19  ASN A C   
139 O O   . ASN A 19  ? 0.7352 0.8850 1.1623 -0.0596 -0.0012 -0.0614 19  ASN A O   
140 C CB  . ASN A 19  ? 0.6117 0.7495 1.0126 -0.0524 -0.0115 -0.0410 19  ASN A CB  
141 C CG  . ASN A 19  ? 0.5998 0.7455 1.0052 -0.0542 -0.0139 -0.0480 19  ASN A CG  
142 O OD1 . ASN A 19  ? 0.6191 0.7708 1.0456 -0.0588 -0.0068 -0.0615 19  ASN A OD1 
143 N ND2 . ASN A 19  ? 0.6128 0.7598 1.0000 -0.0510 -0.0234 -0.0409 19  ASN A ND2 
144 N N   . VAL A 20  ? 0.6683 0.8098 1.0553 -0.0516 -0.0147 -0.0398 20  VAL A N   
145 C CA  . VAL A 20  ? 0.6811 0.8201 1.0757 -0.0525 -0.0087 -0.0412 20  VAL A CA  
146 C C   . VAL A 20  ? 0.6826 0.8424 1.0844 -0.0562 -0.0119 -0.0568 20  VAL A C   
147 O O   . VAL A 20  ? 0.7614 0.9260 1.1840 -0.0604 -0.0039 -0.0679 20  VAL A O   
148 C CB  . VAL A 20  ? 0.7113 0.8397 1.0856 -0.0476 -0.0120 -0.0267 20  VAL A CB  
149 C CG1 . VAL A 20  ? 0.6720 0.7997 1.0528 -0.0486 -0.0068 -0.0289 20  VAL A CG1 
150 C CG2 . VAL A 20  ? 0.6066 0.7200 0.9756 -0.0429 -0.0080 -0.0126 20  VAL A CG2 
151 N N   . LEU A 21  ? 0.5891 0.7630 0.9753 -0.0539 -0.0225 -0.0578 21  LEU A N   
152 C CA  . LEU A 21  ? 0.6048 0.8036 0.9954 -0.0547 -0.0262 -0.0708 21  LEU A CA  
153 C C   . LEU A 21  ? 0.6495 0.8660 1.0629 -0.0599 -0.0224 -0.0900 21  LEU A C   
154 O O   . LEU A 21  ? 0.6576 0.8941 1.0855 -0.0628 -0.0207 -0.1051 21  LEU A O   
155 C CB  . LEU A 21  ? 0.5464 0.7556 0.9154 -0.0488 -0.0362 -0.0644 21  LEU A CB  
156 C CG  . LEU A 21  ? 0.5552 0.7501 0.9054 -0.0447 -0.0385 -0.0493 21  LEU A CG  
157 C CD1 . LEU A 21  ? 0.5552 0.7618 0.8893 -0.0388 -0.0450 -0.0442 21  LEU A CD1 
158 C CD2 . LEU A 21  ? 0.6566 0.8501 1.0124 -0.0457 -0.0343 -0.0505 21  LEU A CD2 
159 N N   . LYS A 22  ? 0.7079 0.9196 1.1243 -0.0610 -0.0216 -0.0905 22  LYS A N   
160 C CA  . LYS A 22  ? 0.6965 0.9200 1.1370 -0.0668 -0.0156 -0.1086 22  LYS A CA  
161 C C   . LYS A 22  ? 0.6729 0.8930 1.1414 -0.0732 -0.0028 -0.1201 22  LYS A C   
162 O O   . LYS A 22  ? 0.6214 0.8629 1.1119 -0.0789 0.0008  -0.1418 22  LYS A O   
163 C CB  . LYS A 22  ? 0.7839 0.9908 1.2258 -0.0670 -0.0122 -0.1021 22  LYS A CB  
164 C CG  . LYS A 22  ? 0.9118 1.1348 1.3699 -0.0712 -0.0103 -0.1193 22  LYS A CG  
165 C CD  . LYS A 22  ? 1.0408 1.2874 1.4819 -0.0669 -0.0224 -0.1224 22  LYS A CD  
166 C CE  . LYS A 22  ? 1.2310 1.4831 1.6803 -0.0689 -0.0209 -0.1308 22  LYS A CE  
167 N NZ  . LYS A 22  ? 1.3198 1.6012 1.7577 -0.0647 -0.0305 -0.1379 22  LYS A NZ  
168 N N   . GLN A 23  ? 0.5987 0.7934 1.0676 -0.0721 0.0046  -0.1061 23  GLN A N   
169 C CA  . GLN A 23  ? 0.6652 0.8518 1.1616 -0.0770 0.0195  -0.1134 23  GLN A CA  
170 C C   . GLN A 23  ? 0.6883 0.8923 1.1895 -0.0790 0.0175  -0.1239 23  GLN A C   
171 O O   . GLN A 23  ? 0.7875 0.9907 1.3158 -0.0846 0.0299  -0.1351 23  GLN A O   
172 C CB  . GLN A 23  ? 0.7612 0.9175 1.2545 -0.0728 0.0288  -0.0928 23  GLN A CB  
173 C CG  . GLN A 23  ? 0.8427 0.9818 1.3270 -0.0682 0.0301  -0.0776 23  GLN A CG  
174 C CD  . GLN A 23  ? 0.9395 1.0818 1.4475 -0.0732 0.0382  -0.0904 23  GLN A CD  
175 O OE1 . GLN A 23  ? 1.0366 1.1758 1.5765 -0.0787 0.0541  -0.1022 23  GLN A OE1 
176 N NE2 . GLN A 23  ? 0.9509 1.0995 1.4450 -0.0717 0.0284  -0.0894 23  GLN A NE2 
177 N N   . GLY A 24  ? 0.7081 0.9253 1.1841 -0.0739 0.0038  -0.1184 24  GLY A N   
178 C CA  . GLY A 24  ? 0.6331 0.8689 1.1114 -0.0742 0.0012  -0.1264 24  GLY A CA  
179 C C   . GLY A 24  ? 0.6331 0.8670 1.0799 -0.0662 -0.0097 -0.1091 24  GLY A C   
180 O O   . GLY A 24  ? 0.6244 0.8352 1.0517 -0.0620 -0.0117 -0.0903 24  GLY A O   
181 N N   . ASP A 25  ? 0.5390 0.7995 0.9831 -0.0641 -0.0158 -0.1170 25  ASP A N   
182 C CA  . ASP A 25  ? 0.4988 0.7592 0.9191 -0.0569 -0.0229 -0.1027 25  ASP A CA  
183 C C   . ASP A 25  ? 0.6021 0.8310 1.0171 -0.0569 -0.0169 -0.0877 25  ASP A C   
184 O O   . ASP A 25  ? 0.5640 0.7823 0.9991 -0.0620 -0.0067 -0.0927 25  ASP A O   
185 C CB  . ASP A 25  ? 0.5380 0.8310 0.9641 -0.0551 -0.0261 -0.1143 25  ASP A CB  
186 C CG  . ASP A 25  ? 0.5703 0.9002 0.9973 -0.0522 -0.0331 -0.1274 25  ASP A CG  
187 O OD1 . ASP A 25  ? 0.4912 0.8177 0.9189 -0.0539 -0.0337 -0.1299 25  ASP A OD1 
188 O OD2 . ASP A 25  ? 0.5555 0.9181 0.9818 -0.0474 -0.0376 -0.1342 25  ASP A OD2 
189 N N   . ASN A 26  ? 0.5732 0.7868 0.9631 -0.0511 -0.0219 -0.0697 26  ASN A N   
190 C CA  . ASN A 26  ? 0.5428 0.7297 0.9267 -0.0505 -0.0165 -0.0566 26  ASN A CA  
191 C C   . ASN A 26  ? 0.5510 0.7324 0.9107 -0.0447 -0.0223 -0.0432 26  ASN A C   
192 O O   . ASN A 26  ? 0.5025 0.6967 0.8509 -0.0409 -0.0290 -0.0420 26  ASN A O   
193 C CB  . ASN A 26  ? 0.5478 0.7144 0.9339 -0.0517 -0.0118 -0.0504 26  ASN A CB  
194 C CG  . ASN A 26  ? 0.6017 0.7477 0.9949 -0.0518 -0.0013 -0.0427 26  ASN A CG  
195 O OD1 . ASN A 26  ? 0.5475 0.6879 0.9339 -0.0497 0.0000  -0.0365 26  ASN A OD1 
196 N ND2 . ASN A 26  ? 0.6854 0.8193 1.0902 -0.0528 0.0066  -0.0406 26  ASN A ND2 
197 N N   . TYR A 27  ? 0.5618 0.7243 0.9151 -0.0436 -0.0182 -0.0332 27  TYR A N   
198 C CA  . TYR A 27  ? 0.6143 0.7695 0.9472 -0.0392 -0.0216 -0.0220 27  TYR A CA  
199 C C   . TYR A 27  ? 0.6309 0.7647 0.9518 -0.0381 -0.0205 -0.0111 27  TYR A C   
200 O O   . TYR A 27  ? 0.6353 0.7607 0.9644 -0.0395 -0.0160 -0.0104 27  TYR A O   
201 C CB  . TYR A 27  ? 0.5753 0.7336 0.9117 -0.0384 -0.0181 -0.0224 27  TYR A CB  
202 C CG  . TYR A 27  ? 0.5837 0.7243 0.9254 -0.0396 -0.0099 -0.0178 27  TYR A CG  
203 C CD1 . TYR A 27  ? 0.7025 0.8409 1.0655 -0.0435 -0.0017 -0.0244 27  TYR A CD1 
204 C CD2 . TYR A 27  ? 0.5856 0.7118 0.9120 -0.0365 -0.0087 -0.0069 27  TYR A CD2 
205 C CE1 . TYR A 27  ? 0.6516 0.7734 1.0200 -0.0428 0.0078  -0.0178 27  TYR A CE1 
206 C CE2 . TYR A 27  ? 0.6470 0.7587 0.9763 -0.0358 -0.0009 -0.0013 27  TYR A CE2 
207 C CZ  . TYR A 27  ? 0.7091 0.8181 1.0590 -0.0384 0.0077  -0.0054 27  TYR A CZ  
208 O OH  . TYR A 27  ? 0.7712 0.8652 1.1230 -0.0357 0.0170  0.0030  27  TYR A OH  
209 N N   . VAL A 28  ? 0.5629 0.6897 0.8661 -0.0351 -0.0235 -0.0030 28  VAL A N   
210 C CA  . VAL A 28  ? 0.6294 0.7427 0.9196 -0.0338 -0.0245 0.0047  28  VAL A CA  
211 C C   . VAL A 28  ? 0.6326 0.7356 0.9276 -0.0330 -0.0181 0.0090  28  VAL A C   
212 O O   . VAL A 28  ? 0.5698 0.6689 0.8637 -0.0320 -0.0181 0.0123  28  VAL A O   
213 C CB  . VAL A 28  ? 0.6494 0.7574 0.9236 -0.0317 -0.0263 0.0099  28  VAL A CB  
214 C CG1 . VAL A 28  ? 0.8027 0.9088 1.0764 -0.0305 -0.0222 0.0115  28  VAL A CG1 
215 C CG2 . VAL A 28  ? 0.6650 0.7640 0.9273 -0.0308 -0.0274 0.0146  28  VAL A CG2 
216 N N   . TYR A 29  ? 0.6512 0.7502 0.9515 -0.0324 -0.0118 0.0105  29  TYR A N   
217 C CA  . TYR A 29  ? 0.6868 0.7748 0.9875 -0.0290 -0.0045 0.0186  29  TYR A CA  
218 C C   . TYR A 29  ? 0.5910 0.6776 0.9118 -0.0301 0.0030  0.0166  29  TYR A C   
219 O O   . TYR A 29  ? 0.6072 0.6865 0.9277 -0.0257 0.0085  0.0252  29  TYR A O   
220 C CB  . TYR A 29  ? 0.6418 0.7235 0.9385 -0.0265 0.0009  0.0236  29  TYR A CB  
221 C CG  . TYR A 29  ? 0.6966 0.7769 0.9724 -0.0245 -0.0046 0.0271  29  TYR A CG  
222 C CD1 . TYR A 29  ? 0.6844 0.7633 0.9457 -0.0213 -0.0078 0.0319  29  TYR A CD1 
223 C CD2 . TYR A 29  ? 0.6796 0.7620 0.9518 -0.0259 -0.0063 0.0242  29  TYR A CD2 
224 C CE1 . TYR A 29  ? 0.6717 0.7509 0.9172 -0.0209 -0.0119 0.0316  29  TYR A CE1 
225 C CE2 . TYR A 29  ? 0.6963 0.7762 0.9525 -0.0248 -0.0093 0.0261  29  TYR A CE2 
226 C CZ  . TYR A 29  ? 0.6449 0.7230 0.8887 -0.0230 -0.0119 0.0286  29  TYR A CZ  
227 O OH  . TYR A 29  ? 0.7490 0.8259 0.9805 -0.0233 -0.0137 0.0272  29  TYR A OH  
228 N N   . GLY A 30  ? 0.5942 0.6898 0.9328 -0.0353 0.0039  0.0051  30  GLY A N   
229 C CA  . GLY A 30  ? 0.6101 0.7062 0.9708 -0.0381 0.0111  -0.0007 30  GLY A CA  
230 C C   . GLY A 30  ? 0.6792 0.7748 1.0343 -0.0371 0.0067  0.0018  30  GLY A C   
231 O O   . GLY A 30  ? 0.6164 0.7049 0.9827 -0.0355 0.0150  0.0057  30  GLY A O   
232 N N   . ILE A 31  ? 0.6420 0.7452 0.9814 -0.0375 -0.0048 0.0001  31  ILE A N   
233 C CA  . ILE A 31  ? 0.5894 0.6938 0.9243 -0.0371 -0.0095 0.0011  31  ILE A CA  
234 C C   . ILE A 31  ? 0.5862 0.6806 0.9097 -0.0313 -0.0076 0.0142  31  ILE A C   
235 O O   . ILE A 31  ? 0.6025 0.6937 0.9320 -0.0291 -0.0035 0.0185  31  ILE A O   
236 C CB  . ILE A 31  ? 0.6577 0.7718 0.9795 -0.0381 -0.0205 -0.0025 31  ILE A CB  
237 C CG1 . ILE A 31  ? 0.6730 0.8026 1.0056 -0.0415 -0.0222 -0.0145 31  ILE A CG1 
238 C CG2 . ILE A 31  ? 0.6769 0.7906 0.9923 -0.0373 -0.0252 0.0000  31  ILE A CG2 
239 C CD1 . ILE A 31  ? 0.6613 0.8004 0.9803 -0.0396 -0.0298 -0.0145 31  ILE A CD1 
240 N N   . ILE A 32  ? 0.6005 0.6921 0.9080 -0.0282 -0.0100 0.0204  32  ILE A N   
241 C CA  . ILE A 32  ? 0.5928 0.6813 0.8869 -0.0219 -0.0100 0.0310  32  ILE A CA  
242 C C   . ILE A 32  ? 0.6339 0.7159 0.9398 -0.0165 0.0022  0.0398  32  ILE A C   
243 O O   . ILE A 32  ? 0.5837 0.6663 0.8887 -0.0112 0.0043  0.0474  32  ILE A O   
244 C CB  . ILE A 32  ? 0.5883 0.6770 0.8645 -0.0201 -0.0141 0.0333  32  ILE A CB  
245 C CG1 . ILE A 32  ? 0.6486 0.7425 0.9156 -0.0246 -0.0237 0.0260  32  ILE A CG1 
246 C CG2 . ILE A 32  ? 0.6211 0.7113 0.8852 -0.0124 -0.0127 0.0432  32  ILE A CG2 
247 C CD1 . ILE A 32  ? 0.6693 0.7623 0.9225 -0.0242 -0.0258 0.0261  32  ILE A CD1 
248 N N   . LYS A 33  ? 0.6254 0.7015 0.9434 -0.0169 0.0114  0.0397  33  LYS A N   
249 C CA  . LYS A 33  ? 0.6990 0.7668 1.0316 -0.0113 0.0264  0.0489  33  LYS A CA  
250 C C   . LYS A 33  ? 0.5954 0.6617 0.9463 -0.0124 0.0325  0.0474  33  LYS A C   
251 O O   . LYS A 33  ? 0.6643 0.7267 1.0181 -0.0045 0.0411  0.0596  33  LYS A O   
252 C CB  . LYS A 33  ? 0.8178 0.8798 1.1675 -0.0146 0.0363  0.0445  33  LYS A CB  
253 C CG  . LYS A 33  ? 0.9227 0.9742 1.2866 -0.0073 0.0541  0.0566  33  LYS A CG  
254 C CD  . LYS A 33  ? 1.0603 1.1055 1.4389 -0.0094 0.0645  0.0540  33  LYS A CD  
255 C CE  . LYS A 33  ? 1.1611 1.1949 1.5513 0.0002  0.0836  0.0697  33  LYS A CE  
256 N NZ  . LYS A 33  ? 1.2875 1.3132 1.7119 -0.0052 0.1001  0.0619  33  LYS A NZ  
257 N N   . GLN A 34  ? 0.5969 0.6677 0.9610 -0.0215 0.0290  0.0324  34  GLN A N   
258 C CA  . GLN A 34  ? 0.6795 0.7495 1.0626 -0.0238 0.0350  0.0282  34  GLN A CA  
259 C C   . GLN A 34  ? 0.7778 0.8502 1.1470 -0.0187 0.0288  0.0367  34  GLN A C   
260 O O   . GLN A 34  ? 0.7949 0.8630 1.1772 -0.0154 0.0380  0.0420  34  GLN A O   
261 C CB  . GLN A 34  ? 0.7489 0.8287 1.1448 -0.0339 0.0298  0.0090  34  GLN A CB  
262 C CG  . GLN A 34  ? 0.8884 0.9681 1.3125 -0.0400 0.0415  -0.0031 34  GLN A CG  
263 C CD  . GLN A 34  ? 0.9066 1.0015 1.3453 -0.0488 0.0371  -0.0234 34  GLN A CD  
264 O OE1 . GLN A 34  ? 1.0429 1.1513 1.4805 -0.0530 0.0301  -0.0348 34  GLN A OE1 
265 N NE2 . GLN A 34  ? 0.9206 1.0158 1.3717 -0.0508 0.0406  -0.0280 34  GLN A NE2 
266 N N   . VAL A 35  ? 0.6630 0.7431 1.0085 -0.0184 0.0140  0.0368  35  VAL A N   
267 C CA  . VAL A 35  ? 0.7094 0.7942 1.0432 -0.0144 0.0076  0.0427  35  VAL A CA  
268 C C   . VAL A 35  ? 0.7325 0.8162 1.0590 -0.0029 0.0143  0.0595  35  VAL A C   
269 O O   . VAL A 35  ? 0.6894 0.7740 1.0205 0.0031  0.0193  0.0680  35  VAL A O   
270 C CB  . VAL A 35  ? 0.7037 0.7969 1.0183 -0.0182 -0.0078 0.0363  35  VAL A CB  
271 C CG1 . VAL A 35  ? 0.8273 0.9272 1.1257 -0.0130 -0.0147 0.0430  35  VAL A CG1 
272 C CG2 . VAL A 35  ? 0.7215 0.8186 1.0447 -0.0262 -0.0126 0.0232  35  VAL A CG2 
273 N N   . LYS A 36  ? 0.7126 0.7956 1.0290 0.0011  0.0157  0.0649  36  LYS A N   
274 C CA  . LYS A 36  ? 0.8399 0.9255 1.1476 0.0138  0.0225  0.0814  36  LYS A CA  
275 C C   . LYS A 36  ? 0.8866 0.9631 1.2157 0.0208  0.0411  0.0928  36  LYS A C   
276 O O   . LYS A 36  ? 0.8551 0.9371 1.1803 0.0323  0.0461  0.1071  36  LYS A O   
277 C CB  . LYS A 36  ? 0.8598 0.9451 1.1556 0.0158  0.0223  0.0833  36  LYS A CB  
278 C CG  . LYS A 36  ? 0.9457 1.0385 1.2283 0.0300  0.0274  0.0994  36  LYS A CG  
279 C CD  . LYS A 36  ? 0.9986 1.0888 1.2733 0.0321  0.0304  0.1016  36  LYS A CD  
280 C CE  . LYS A 36  ? 1.0481 1.1529 1.3026 0.0456  0.0302  0.1138  36  LYS A CE  
281 N NZ  . LYS A 36  ? 1.0578 1.1662 1.3180 0.0602  0.0431  0.1322  36  LYS A NZ  
282 N N   . GLU A 37  ? 0.8191 0.8833 1.1723 0.0145  0.0525  0.0865  37  GLU A N   
283 C CA  . GLU A 37  ? 0.8917 0.9450 1.2697 0.0204  0.0734  0.0964  37  GLU A CA  
284 C C   . GLU A 37  ? 0.8535 0.9070 1.2429 0.0205  0.0760  0.0966  37  GLU A C   
285 O O   . GLU A 37  ? 0.8519 0.9028 1.2488 0.0318  0.0893  0.1127  37  GLU A O   
286 C CB  . GLU A 37  ? 0.9283 0.9698 1.3324 0.0120  0.0855  0.0859  37  GLU A CB  
287 C CG  . GLU A 37  ? 1.0137 1.0503 1.4139 0.0183  0.0936  0.0954  37  GLU A CG  
288 C CD  . GLU A 37  ? 1.1807 1.2110 1.5996 0.0078  0.0985  0.0809  37  GLU A CD  
289 O OE1 . GLU A 37  ? 1.0931 1.1267 1.5252 -0.0045 0.0931  0.0618  37  GLU A OE1 
290 O OE2 . GLU A 37  ? 1.3308 1.3552 1.7510 0.0123  0.1077  0.0883  37  GLU A OE2 
291 N N   . ALA A 38  ? 0.7840 0.8420 1.1739 0.0091  0.0636  0.0799  38  ALA A N   
292 C CA  . ALA A 38  ? 0.7238 0.7819 1.1258 0.0073  0.0655  0.0773  38  ALA A CA  
293 C C   . ALA A 38  ? 0.7769 0.8457 1.1584 0.0168  0.0569  0.0896  38  ALA A C   
294 O O   . ALA A 38  ? 0.7906 0.8598 1.1807 0.0178  0.0595  0.0912  38  ALA A O   
295 C CB  . ALA A 38  ? 0.6942 0.7562 1.1016 -0.0067 0.0548  0.0556  38  ALA A CB  
296 N N   . SER A 39  ? 0.7607 0.8398 1.1164 0.0232  0.0469  0.0969  39  SER A N   
297 C CA  . SER A 39  ? 0.8176 0.9121 1.1536 0.0310  0.0367  0.1047  39  SER A CA  
298 C C   . SER A 39  ? 0.8408 0.9433 1.1673 0.0479  0.0449  0.1251  39  SER A C   
299 O O   . SER A 39  ? 0.8630 0.9832 1.1733 0.0562  0.0372  0.1320  39  SER A O   
300 C CB  . SER A 39  ? 0.7751 0.8806 1.0891 0.0237  0.0166  0.0925  39  SER A CB  
301 O OG  . SER A 39  ? 0.7578 0.8639 1.0598 0.0244  0.0147  0.0924  39  SER A OG  
302 N N   . ASN A 40  ? 0.8532 0.9455 1.1890 0.0529  0.0597  0.1334  40  ASN A N   
303 C CA  . ASN A 40  ? 0.9987 1.0990 1.3249 0.0704  0.0692  0.1540  40  ASN A CA  
304 C C   . ASN A 40  ? 1.0365 1.1549 1.3333 0.0729  0.0535  0.1516  40  ASN A C   
305 O O   . ASN A 40  ? 1.2103 1.3462 1.4920 0.0883  0.0549  0.1661  40  ASN A O   
306 C CB  . ASN A 40  ? 1.0326 1.1433 1.3604 0.0864  0.0778  0.1730  40  ASN A CB  
307 C CG  . ASN A 40  ? 1.1579 1.2489 1.5174 0.0890  0.1011  0.1817  40  ASN A CG  
308 O OD1 . ASN A 40  ? 1.3374 1.4235 1.7064 0.1032  0.1212  0.2011  40  ASN A OD1 
309 N ND2 . ASN A 40  ? 1.1161 1.1956 1.4938 0.0752  0.1002  0.1668  40  ASN A ND2 
310 N N   . GLY A 41  ? 0.9627 1.0786 1.2520 0.0585  0.0395  0.1330  41  GLY A N   
311 C CA  . GLY A 41  ? 0.9710 1.1012 1.2362 0.0595  0.0273  0.1289  41  GLY A CA  
312 C C   . GLY A 41  ? 0.9546 1.1063 1.2033 0.0598  0.0116  0.1230  41  GLY A C   
313 O O   . GLY A 41  ? 1.1524 1.3184 1.3829 0.0591  0.0008  0.1160  41  GLY A O   
314 N N   . GLU A 42  ? 0.9495 1.1029 1.2069 0.0597  0.0111  0.1241  42  GLU A N   
315 C CA  . GLU A 42  ? 0.9562 1.1301 1.2019 0.0599  -0.0022 0.1187  42  GLU A CA  
316 C C   . GLU A 42  ? 0.9171 1.0867 1.1597 0.0434  -0.0161 0.0980  42  GLU A C   
317 O O   . GLU A 42  ? 1.1647 1.3505 1.3974 0.0410  -0.0278 0.0895  42  GLU A O   
318 C CB  . GLU A 42  ? 1.0629 1.2366 1.3217 0.0645  0.0033  0.1268  42  GLU A CB  
319 C CG  . GLU A 42  ? 1.1203 1.2946 1.3867 0.0818  0.0211  0.1496  42  GLU A CG  
320 C CD  . GLU A 42  ? 1.1951 1.3840 1.4641 0.0921  0.0226  0.1602  42  GLU A CD  
321 O OE1 . GLU A 42  ? 1.1569 1.3385 1.4361 0.0826  0.0185  0.1514  42  GLU A OE1 
322 O OE2 . GLU A 42  ? 1.3453 1.5547 1.6052 0.1104  0.0279  0.1776  42  GLU A OE2 
323 N N   . MET A 43  ? 0.8230 0.9719 1.0762 0.0326  -0.0134 0.0903  43  MET A N   
324 C CA  . MET A 43  ? 0.8790 1.0235 1.1296 0.0191  -0.0239 0.0735  43  MET A CA  
325 C C   . MET A 43  ? 0.8628 0.9963 1.1123 0.0144  -0.0214 0.0695  43  MET A C   
326 O O   . MET A 43  ? 0.8090 0.9280 1.0721 0.0119  -0.0128 0.0706  43  MET A O   
327 C CB  . MET A 43  ? 0.7810 0.9157 1.0464 0.0110  -0.0242 0.0673  43  MET A CB  
328 C CG  . MET A 43  ? 0.8253 0.9563 1.0886 -0.0006 -0.0332 0.0527  43  MET A CG  
329 S SD  . MET A 43  ? 0.9183 1.0413 1.1989 -0.0074 -0.0319 0.0470  43  MET A SD  
330 C CE  . MET A 43  ? 0.9524 1.0743 1.2268 -0.0173 -0.0411 0.0334  43  MET A CE  
331 N N   . GLU A 44  ? 0.8586 1.0005 1.0930 0.0136  -0.0282 0.0641  44  GLU A N   
332 C CA  . GLU A 44  ? 0.9094 1.0424 1.1409 0.0096  -0.0265 0.0602  44  GLU A CA  
333 C C   . GLU A 44  ? 0.8889 1.0208 1.1169 -0.0009 -0.0355 0.0460  44  GLU A C   
334 O O   . GLU A 44  ? 0.9860 1.1293 1.2036 -0.0018 -0.0420 0.0397  44  GLU A O   
335 C CB  . GLU A 44  ? 0.9253 1.0684 1.1431 0.0187  -0.0242 0.0667  44  GLU A CB  
336 C CG  . GLU A 44  ? 1.0561 1.2061 1.2749 0.0327  -0.0153 0.0834  44  GLU A CG  
337 C CD  . GLU A 44  ? 1.1228 1.2782 1.3322 0.0437  -0.0080 0.0941  44  GLU A CD  
338 O OE1 . GLU A 44  ? 1.2982 1.4488 1.5015 0.0396  -0.0090 0.0884  44  GLU A OE1 
339 O OE2 . GLU A 44  ? 1.1539 1.3188 1.3622 0.0576  -0.0004 0.1094  44  GLU A OE2 
340 N N   . LEU A 45  ? 0.8086 0.9287 1.0475 -0.0084 -0.0347 0.0408  45  LEU A N   
341 C CA  . LEU A 45  ? 0.7862 0.9039 1.0235 -0.0165 -0.0403 0.0304  45  LEU A CA  
342 C C   . LEU A 45  ? 0.7867 0.9019 1.0160 -0.0171 -0.0391 0.0284  45  LEU A C   
343 O O   . LEU A 45  ? 0.7143 0.8247 0.9441 -0.0137 -0.0331 0.0340  45  LEU A O   
344 C CB  . LEU A 45  ? 0.8289 0.9388 1.0798 -0.0211 -0.0382 0.0277  45  LEU A CB  
345 C CG  . LEU A 45  ? 0.9302 1.0431 1.1871 -0.0238 -0.0421 0.0243  45  LEU A CG  
346 C CD1 . LEU A 45  ? 0.9512 1.0598 1.2232 -0.0257 -0.0375 0.0233  45  LEU A CD1 
347 C CD2 . LEU A 45  ? 0.9504 1.0650 1.2029 -0.0288 -0.0476 0.0169  45  LEU A CD2 
348 N N   . ASN A 46  ? 0.6729 0.7917 0.8957 -0.0211 -0.0435 0.0205  46  ASN A N   
349 C CA  . ASN A 46  ? 0.6395 0.7529 0.8591 -0.0247 -0.0420 0.0156  46  ASN A CA  
350 C C   . ASN A 46  ? 0.5776 0.6820 0.8057 -0.0286 -0.0400 0.0146  46  ASN A C   
351 O O   . ASN A 46  ? 0.5849 0.6897 0.8198 -0.0308 -0.0421 0.0129  46  ASN A O   
352 C CB  . ASN A 46  ? 0.7222 0.8386 0.9412 -0.0300 -0.0452 0.0061  46  ASN A CB  
353 C CG  . ASN A 46  ? 0.6978 0.8250 0.9087 -0.0297 -0.0469 -0.0004 46  ASN A CG  
354 O OD1 . ASN A 46  ? 1.0226 1.1542 1.2255 -0.0254 -0.0454 0.0021  46  ASN A OD1 
355 N ND2 . ASN A 46  ? 1.0673 1.2002 1.2811 -0.0343 -0.0493 -0.0098 46  ASN A ND2 
356 N N   . GLU A 47  ? 0.6254 0.7243 0.8515 -0.0292 -0.0364 0.0143  47  GLU A N   
357 C CA  . GLU A 47  ? 0.6368 0.7315 0.8693 -0.0314 -0.0345 0.0133  47  GLU A CA  
358 C C   . GLU A 47  ? 0.5767 0.6718 0.8100 -0.0343 -0.0355 0.0088  47  GLU A C   
359 O O   . GLU A 47  ? 0.5369 0.6334 0.7764 -0.0346 -0.0356 0.0090  47  GLU A O   
360 C CB  . GLU A 47  ? 0.6445 0.7343 0.8738 -0.0306 -0.0299 0.0146  47  GLU A CB  
361 C CG  . GLU A 47  ? 0.6546 0.7426 0.8835 -0.0274 -0.0269 0.0196  47  GLU A CG  
362 C CD  . GLU A 47  ? 0.6803 0.7692 0.8983 -0.0243 -0.0257 0.0211  47  GLU A CD  
363 O OE1 . GLU A 47  ? 0.6536 0.7494 0.8650 -0.0239 -0.0293 0.0182  47  GLU A OE1 
364 O OE2 . GLU A 47  ? 0.6639 0.7488 0.8811 -0.0218 -0.0209 0.0252  47  GLU A OE2 
365 N N   . ALA A 48  ? 0.5687 0.6637 0.7968 -0.0361 -0.0349 0.0041  48  ALA A N   
366 C CA  . ALA A 48  ? 0.6068 0.7006 0.8390 -0.0393 -0.0331 -0.0010 48  ALA A CA  
367 C C   . ALA A 48  ? 0.5517 0.6493 0.7894 -0.0397 -0.0368 -0.0005 48  ALA A C   
368 O O   . ALA A 48  ? 0.6474 0.7434 0.8909 -0.0394 -0.0344 0.0010  48  ALA A O   
369 C CB  . ALA A 48  ? 0.5662 0.6633 0.7953 -0.0424 -0.0326 -0.0096 48  ALA A CB  
370 N N   . THR A 49  ? 0.5645 0.6683 0.8002 -0.0390 -0.0421 -0.0005 49  THR A N   
371 C CA  . THR A 49  ? 0.5849 0.6925 0.8256 -0.0394 -0.0457 -0.0004 49  THR A CA  
372 C C   . THR A 49  ? 0.6189 0.7255 0.8651 -0.0378 -0.0453 0.0038  49  THR A C   
373 O O   . THR A 49  ? 0.6415 0.7500 0.8928 -0.0380 -0.0456 0.0035  49  THR A O   
374 C CB  . THR A 49  ? 0.6530 0.7679 0.8902 -0.0374 -0.0501 0.0006  49  THR A CB  
375 O OG1 . THR A 49  ? 0.5959 0.7176 0.8278 -0.0384 -0.0513 -0.0053 49  THR A OG1 
376 C CG2 . THR A 49  ? 0.6740 0.7933 0.9166 -0.0376 -0.0537 0.0008  49  THR A CG2 
377 N N   . LEU A 50  ? 0.6738 0.7796 0.9201 -0.0358 -0.0443 0.0071  50  LEU A N   
378 C CA  . LEU A 50  ? 0.5446 0.6536 0.7985 -0.0350 -0.0441 0.0080  50  LEU A CA  
379 C C   . LEU A 50  ? 0.4731 0.5844 0.7284 -0.0340 -0.0418 0.0079  50  LEU A C   
380 O O   . LEU A 50  ? 0.4961 0.6145 0.7563 -0.0329 -0.0429 0.0072  50  LEU A O   
381 C CB  . LEU A 50  ? 0.6789 0.7867 0.9360 -0.0338 -0.0416 0.0098  50  LEU A CB  
382 C CG  . LEU A 50  ? 0.6640 0.7780 0.9320 -0.0341 -0.0405 0.0070  50  LEU A CG  
383 C CD1 . LEU A 50  ? 0.7945 0.9064 1.0710 -0.0342 -0.0367 0.0073  50  LEU A CD1 
384 C CD2 . LEU A 50  ? 0.7708 0.8888 1.0381 -0.0329 -0.0388 0.0065  50  LEU A CD2 
385 N N   . TYR A 51  ? 0.5174 0.6238 0.7685 -0.0334 -0.0379 0.0092  51  TYR A N   
386 C CA  . TYR A 51  ? 0.5871 0.6962 0.8401 -0.0304 -0.0338 0.0117  51  TYR A CA  
387 C C   . TYR A 51  ? 0.5379 0.6465 0.7928 -0.0299 -0.0319 0.0122  51  TYR A C   
388 O O   . TYR A 51  ? 0.6153 0.7314 0.8734 -0.0256 -0.0299 0.0155  51  TYR A O   
389 C CB  . TYR A 51  ? 0.5766 0.6798 0.8263 -0.0294 -0.0285 0.0139  51  TYR A CB  
390 C CG  . TYR A 51  ? 0.5745 0.6823 0.8259 -0.0277 -0.0285 0.0150  51  TYR A CG  
391 C CD1 . TYR A 51  ? 0.5944 0.7148 0.8510 -0.0238 -0.0284 0.0160  51  TYR A CD1 
392 C CD2 . TYR A 51  ? 0.5736 0.6750 0.8217 -0.0293 -0.0280 0.0146  51  TYR A CD2 
393 C CE1 . TYR A 51  ? 0.5793 0.7064 0.8401 -0.0230 -0.0282 0.0148  51  TYR A CE1 
394 C CE2 . TYR A 51  ? 0.6057 0.7107 0.8579 -0.0282 -0.0269 0.0151  51  TYR A CE2 
395 C CZ  . TYR A 51  ? 0.6150 0.7327 0.8744 -0.0257 -0.0270 0.0143  51  TYR A CZ  
396 O OH  . TYR A 51  ? 0.7795 0.9027 1.0450 -0.0251 -0.0253 0.0129  51  TYR A OH  
397 N N   . THR A 52  ? 0.6441 0.7466 0.8981 -0.0338 -0.0321 0.0086  52  THR A N   
398 C CA  . THR A 52  ? 0.5553 0.6568 0.8142 -0.0342 -0.0293 0.0080  52  THR A CA  
399 C C   . THR A 52  ? 0.5087 0.6188 0.7703 -0.0322 -0.0339 0.0093  52  THR A C   
400 O O   . THR A 52  ? 0.6068 0.7210 0.8718 -0.0282 -0.0306 0.0130  52  THR A O   
401 C CB  . THR A 52  ? 0.5693 0.6671 0.8283 -0.0397 -0.0304 0.0007  52  THR A CB  
402 O OG1 . THR A 52  ? 0.5906 0.6827 0.8474 -0.0414 -0.0258 -0.0019 52  THR A OG1 
403 C CG2 . THR A 52  ? 0.6065 0.7038 0.8732 -0.0412 -0.0277 -0.0014 52  THR A CG2 
404 N N   . ILE A 53  ? 0.5605 0.6744 0.8208 -0.0339 -0.0406 0.0070  53  ILE A N   
405 C CA  . ILE A 53  ? 0.4884 0.6103 0.7526 -0.0327 -0.0442 0.0067  53  ILE A CA  
406 C C   . ILE A 53  ? 0.5453 0.6780 0.8117 -0.0279 -0.0431 0.0086  53  ILE A C   
407 O O   . ILE A 53  ? 0.5427 0.6841 0.8114 -0.0241 -0.0422 0.0102  53  ILE A O   
408 C CB  . ILE A 53  ? 0.5381 0.6601 0.8029 -0.0354 -0.0492 0.0041  53  ILE A CB  
409 C CG1 . ILE A 53  ? 0.6070 0.7252 0.8697 -0.0381 -0.0512 0.0024  53  ILE A CG1 
410 C CG2 . ILE A 53  ? 0.5260 0.6563 0.7969 -0.0345 -0.0516 0.0025  53  ILE A CG2 
411 C CD1 . ILE A 53  ? 0.6712 0.7907 0.9333 -0.0383 -0.0546 0.0027  53  ILE A CD1 
412 N N   . PHE A 54  ? 0.5510 0.6858 0.8169 -0.0275 -0.0429 0.0081  54  PHE A N   
413 C CA  . PHE A 54  ? 0.5567 0.7068 0.8258 -0.0229 -0.0424 0.0079  54  PHE A CA  
414 C C   . PHE A 54  ? 0.5018 0.6575 0.7686 -0.0159 -0.0371 0.0147  54  PHE A C   
415 O O   . PHE A 54  ? 0.6346 0.8076 0.9032 -0.0101 -0.0374 0.0154  54  PHE A O   
416 C CB  . PHE A 54  ? 0.6264 0.7765 0.8971 -0.0246 -0.0424 0.0054  54  PHE A CB  
417 C CG  . PHE A 54  ? 0.5840 0.7360 0.8623 -0.0288 -0.0451 -0.0010 54  PHE A CG  
418 C CD1 . PHE A 54  ? 0.5867 0.7351 0.8675 -0.0315 -0.0474 -0.0029 54  PHE A CD1 
419 C CD2 . PHE A 54  ? 0.7246 0.8818 1.0099 -0.0298 -0.0436 -0.0053 54  PHE A CD2 
420 C CE1 . PHE A 54  ? 0.6228 0.7718 0.9131 -0.0346 -0.0472 -0.0079 54  PHE A CE1 
421 C CE2 . PHE A 54  ? 0.5476 0.7050 0.8437 -0.0337 -0.0430 -0.0114 54  PHE A CE2 
422 C CZ  . PHE A 54  ? 0.6827 0.8355 0.9815 -0.0358 -0.0442 -0.0123 54  PHE A CZ  
423 N N   . ASP A 55  ? 0.5271 0.6707 0.7910 -0.0152 -0.0311 0.0197  55  ASP A N   
424 C CA  . ASP A 55  ? 0.5686 0.7158 0.8331 -0.0074 -0.0230 0.0281  55  ASP A CA  
425 C C   . ASP A 55  ? 0.6001 0.7530 0.8669 -0.0043 -0.0225 0.0301  55  ASP A C   
426 O O   . ASP A 55  ? 0.5991 0.7675 0.8661 0.0048  -0.0193 0.0361  55  ASP A O   
427 C CB  . ASP A 55  ? 0.5909 0.7210 0.8557 -0.0084 -0.0141 0.0319  55  ASP A CB  
428 C CG  . ASP A 55  ? 0.7105 0.8374 0.9726 -0.0088 -0.0126 0.0322  55  ASP A CG  
429 O OD1 . ASP A 55  ? 0.6615 0.8016 0.9226 -0.0067 -0.0175 0.0310  55  ASP A OD1 
430 O OD2 . ASP A 55  ? 0.6547 0.7670 0.9171 -0.0121 -0.0069 0.0318  55  ASP A OD2 
431 N N   . ARG A 56  ? 0.6605 0.8039 0.9288 -0.0111 -0.0260 0.0250  56  ARG A N   
432 C CA  . ARG A 56  ? 0.6541 0.8026 0.9250 -0.0085 -0.0257 0.0265  56  ARG A CA  
433 C C   . ARG A 56  ? 0.6203 0.7891 0.8908 -0.0050 -0.0321 0.0235  56  ARG A C   
434 O O   . ARG A 56  ? 0.6625 0.8461 0.9329 0.0034  -0.0292 0.0285  56  ARG A O   
435 C CB  . ARG A 56  ? 0.7240 0.8587 0.9978 -0.0164 -0.0273 0.0217  56  ARG A CB  
436 C CG  . ARG A 56  ? 0.8666 1.0046 1.1444 -0.0141 -0.0258 0.0234  56  ARG A CG  
437 C CD  . ARG A 56  ? 0.8879 1.0285 1.1689 -0.0047 -0.0144 0.0336  56  ARG A CD  
438 N NE  . ARG A 56  ? 0.9559 1.1018 1.2400 -0.0022 -0.0143 0.0351  56  ARG A NE  
439 C CZ  . ARG A 56  ? 1.1338 1.2690 1.4237 -0.0086 -0.0141 0.0309  56  ARG A CZ  
440 N NH1 . ARG A 56  ? 1.1408 1.2617 1.4352 -0.0163 -0.0118 0.0256  56  ARG A NH1 
441 N NH2 . ARG A 56  ? 1.1592 1.3004 1.4510 -0.0069 -0.0159 0.0312  56  ARG A NH2 
442 N N   . LEU A 57  ? 0.5551 0.7265 0.8266 -0.0109 -0.0396 0.0151  57  LEU A N   
443 C CA  . LEU A 57  ? 0.5832 0.7748 0.8577 -0.0088 -0.0443 0.0091  57  LEU A CA  
444 C C   . LEU A 57  ? 0.6622 0.8768 0.9354 0.0004  -0.0422 0.0116  57  LEU A C   
445 O O   . LEU A 57  ? 0.6632 0.8999 0.9376 0.0058  -0.0440 0.0088  57  LEU A O   
446 C CB  . LEU A 57  ? 0.5831 0.7716 0.8623 -0.0165 -0.0491 0.0000  57  LEU A CB  
447 C CG  . LEU A 57  ? 0.6299 0.8019 0.9104 -0.0233 -0.0513 -0.0014 57  LEU A CG  
448 C CD1 . LEU A 57  ? 0.6359 0.8033 0.9216 -0.0287 -0.0529 -0.0069 57  LEU A CD1 
449 C CD2 . LEU A 57  ? 0.5820 0.7593 0.8651 -0.0226 -0.0529 -0.0029 57  LEU A CD2 
450 N N   . GLU A 58  ? 0.7285 0.9407 0.9993 0.0028  -0.0387 0.0161  58  GLU A N   
451 C CA  . GLU A 58  ? 0.7219 0.9586 0.9919 0.0123  -0.0371 0.0185  58  GLU A CA  
452 C C   . GLU A 58  ? 0.7570 1.0029 1.0231 0.0246  -0.0299 0.0310  58  GLU A C   
453 O O   . GLU A 58  ? 0.6421 0.9165 0.9073 0.0341  -0.0307 0.0316  58  GLU A O   
454 C CB  . GLU A 58  ? 0.7288 0.9590 0.9981 0.0113  -0.0348 0.0204  58  GLU A CB  
455 C CG  . GLU A 58  ? 0.8009 1.0590 1.0700 0.0215  -0.0335 0.0226  58  GLU A CG  
456 C CD  . GLU A 58  ? 0.7343 0.9883 1.0048 0.0188  -0.0328 0.0212  58  GLU A CD  
457 O OE1 . GLU A 58  ? 0.7341 0.9602 1.0033 0.0110  -0.0312 0.0223  58  GLU A OE1 
458 O OE2 . GLU A 58  ? 0.7931 1.0725 1.0662 0.0241  -0.0342 0.0181  58  GLU A OE2 
459 N N   . GLN A 59  ? 0.7441 0.9666 1.0095 0.0241  -0.0223 0.0401  59  GLN A N   
460 C CA  . GLN A 59  ? 0.7838 1.0095 1.0487 0.0352  -0.0124 0.0530  59  GLN A CA  
461 C C   . GLN A 59  ? 0.8026 1.0445 1.0673 0.0388  -0.0161 0.0507  59  GLN A C   
462 O O   . GLN A 59  ? 0.8497 1.1125 1.1120 0.0522  -0.0111 0.0596  59  GLN A O   
463 C CB  . GLN A 59  ? 0.9293 1.1241 1.1981 0.0299  -0.0036 0.0578  59  GLN A CB  
464 C CG  . GLN A 59  ? 1.1588 1.3505 1.4313 0.0409  0.0113  0.0725  59  GLN A CG  
465 C CD  . GLN A 59  ? 1.2655 1.4292 1.5462 0.0327  0.0189  0.0716  59  GLN A CD  
466 O OE1 . GLN A 59  ? 1.2948 1.4509 1.5773 0.0236  0.0124  0.0628  59  GLN A OE1 
467 N NE2 . GLN A 59  ? 1.2640 1.4134 1.5513 0.0360  0.0337  0.0799  59  GLN A NE2 
468 N N   . ASP A 60  ? 0.6902 0.9241 0.9572 0.0280  -0.0242 0.0397  60  ASP A N   
469 C CA  . ASP A 60  ? 0.6481 0.8973 0.9153 0.0312  -0.0273 0.0369  60  ASP A CA  
470 C C   . ASP A 60  ? 0.6998 0.9805 0.9668 0.0335  -0.0353 0.0260  60  ASP A C   
471 O O   . ASP A 60  ? 0.7888 1.0843 1.0568 0.0347  -0.0389 0.0203  60  ASP A O   
472 C CB  . ASP A 60  ? 0.6994 0.9283 0.9703 0.0201  -0.0310 0.0306  60  ASP A CB  
473 C CG  . ASP A 60  ? 0.7378 0.9390 1.0116 0.0157  -0.0242 0.0366  60  ASP A CG  
474 O OD1 . ASP A 60  ? 0.7751 0.9711 1.0498 0.0226  -0.0136 0.0474  60  ASP A OD1 
475 O OD2 . ASP A 60  ? 0.7638 0.9495 1.0403 0.0051  -0.0290 0.0295  60  ASP A OD2 
476 N N   . GLY A 61  ? 0.6949 0.9872 0.9624 0.0334  -0.0380 0.0212  61  GLY A N   
477 C CA  . GLY A 61  ? 0.6299 0.9571 0.9000 0.0362  -0.0442 0.0091  61  GLY A CA  
478 C C   . GLY A 61  ? 0.6481 0.9735 0.9271 0.0233  -0.0516 -0.0089 61  GLY A C   
479 O O   . GLY A 61  ? 0.6498 1.0040 0.9338 0.0244  -0.0558 -0.0217 61  GLY A O   
480 N N   . ILE A 62  ? 0.6849 0.9785 0.9672 0.0115  -0.0523 -0.0106 62  ILE A N   
481 C CA  . ILE A 62  ? 0.6957 0.9843 0.9878 0.0007  -0.0564 -0.0245 62  ILE A CA  
482 C C   . ILE A 62  ? 0.7543 1.0437 1.0547 -0.0056 -0.0574 -0.0340 62  ILE A C   
483 O O   . ILE A 62  ? 0.6943 0.9921 1.0069 -0.0121 -0.0590 -0.0486 62  ILE A O   
484 C CB  . ILE A 62  ? 0.7494 1.0069 1.0406 -0.0061 -0.0558 -0.0194 62  ILE A CB  
485 C CG1 . ILE A 62  ? 0.7684 1.0293 1.0559 -0.0011 -0.0550 -0.0144 62  ILE A CG1 
486 C CG2 . ILE A 62  ? 0.6993 0.9453 1.0007 -0.0167 -0.0577 -0.0297 62  ILE A CG2 
487 C CD1 . ILE A 62  ? 0.8027 1.0383 1.0853 -0.0018 -0.0514 -0.0026 62  ILE A CD1 
488 N N   . ILE A 63  ? 0.7265 1.0045 1.0216 -0.0042 -0.0550 -0.0255 63  ILE A N   
489 C CA  . ILE A 63  ? 0.7181 0.9995 1.0197 -0.0078 -0.0548 -0.0320 63  ILE A CA  
490 C C   . ILE A 63  ? 0.7339 1.0323 1.0289 0.0020  -0.0531 -0.0247 63  ILE A C   
491 O O   . ILE A 63  ? 0.6732 0.9736 0.9585 0.0112  -0.0502 -0.0120 63  ILE A O   
492 C CB  . ILE A 63  ? 0.7603 1.0092 1.0624 -0.0161 -0.0530 -0.0284 63  ILE A CB  
493 C CG1 . ILE A 63  ? 0.6903 0.9207 0.9803 -0.0126 -0.0501 -0.0140 63  ILE A CG1 
494 C CG2 . ILE A 63  ? 0.6752 0.9082 0.9826 -0.0233 -0.0537 -0.0321 63  ILE A CG2 
495 C CD1 . ILE A 63  ? 0.6773 0.8812 0.9662 -0.0193 -0.0487 -0.0112 63  ILE A CD1 
496 N N   . SER A 64  ? 0.7119 1.0238 1.0142 0.0005  -0.0536 -0.0328 64  SER A N   
497 C CA  . SER A 64  ? 0.7288 1.0584 1.0268 0.0096  -0.0518 -0.0268 64  SER A CA  
498 C C   . SER A 64  ? 0.6450 0.9610 0.9489 0.0027  -0.0504 -0.0299 64  SER A C   
499 O O   . SER A 64  ? 0.5976 0.9021 0.9121 -0.0075 -0.0509 -0.0403 64  SER A O   
500 C CB  . SER A 64  ? 0.7134 1.0883 1.0162 0.0173  -0.0550 -0.0368 64  SER A CB  
501 O OG  . SER A 64  ? 0.7344 1.1206 1.0538 0.0073  -0.0579 -0.0575 64  SER A OG  
502 N N   . SER A 65  ? 0.6127 0.9299 0.9106 0.0093  -0.0472 -0.0199 65  SER A N   
503 C CA  . SER A 65  ? 0.6472 0.9493 0.9492 0.0034  -0.0451 -0.0211 65  SER A CA  
504 C C   . SER A 65  ? 0.6182 0.9519 0.9258 0.0095  -0.0454 -0.0259 65  SER A C   
505 O O   . SER A 65  ? 0.5918 0.9572 0.8964 0.0204  -0.0465 -0.0240 65  SER A O   
506 C CB  . SER A 65  ? 0.5964 0.8667 0.8876 0.0036  -0.0404 -0.0064 65  SER A CB  
507 O OG  . SER A 65  ? 0.6314 0.9100 0.9139 0.0151  -0.0363 0.0066  65  SER A OG  
508 N N   . TYR A 66  ? 0.6398 0.9660 0.9557 0.0032  -0.0438 -0.0314 66  TYR A N   
509 C CA  . TYR A 66  ? 0.6047 0.9601 0.9273 0.0081  -0.0439 -0.0365 66  TYR A CA  
510 C C   . TYR A 66  ? 0.5646 0.8975 0.8922 0.0012  -0.0400 -0.0361 66  TYR A C   
511 O O   . TYR A 66  ? 0.5836 0.8868 0.9140 -0.0081 -0.0381 -0.0374 66  TYR A O   
512 C CB  . TYR A 66  ? 0.6045 0.9993 0.9433 0.0063  -0.0483 -0.0575 66  TYR A CB  
513 C CG  . TYR A 66  ? 0.6446 1.0290 1.0020 -0.0078 -0.0478 -0.0753 66  TYR A CG  
514 C CD1 . TYR A 66  ? 0.5801 0.9624 0.9543 -0.0155 -0.0442 -0.0861 66  TYR A CD1 
515 C CD2 . TYR A 66  ? 0.7530 1.1319 1.1133 -0.0127 -0.0493 -0.0818 66  TYR A CD2 
516 C CE1 . TYR A 66  ? 0.6244 0.9965 1.0186 -0.0275 -0.0406 -0.1012 66  TYR A CE1 
517 C CE2 . TYR A 66  ? 0.7115 1.0811 1.0911 -0.0246 -0.0464 -0.0972 66  TYR A CE2 
518 C CZ  . TYR A 66  ? 0.6501 1.0157 1.0472 -0.0319 -0.0413 -0.1065 66  TYR A CZ  
519 O OH  . TYR A 66  ? 0.5397 0.8946 0.9584 -0.0427 -0.0354 -0.1202 66  TYR A OH  
520 N N   . TRP A 67  ? 0.6977 1.0472 1.0267 0.0071  -0.0384 -0.0338 67  TRP A N   
521 C CA  . TRP A 67  ? 0.6229 0.9537 0.9568 0.0018  -0.0341 -0.0330 67  TRP A CA  
522 C C   . TRP A 67  ? 0.5847 0.9267 0.9407 -0.0078 -0.0341 -0.0528 67  TRP A C   
523 O O   . TRP A 67  ? 0.5611 0.9384 0.9299 -0.0074 -0.0376 -0.0683 67  TRP A O   
524 C CB  . TRP A 67  ? 0.6922 1.0353 1.0199 0.0120  -0.0313 -0.0222 67  TRP A CB  
525 C CG  . TRP A 67  ? 0.7652 1.0896 1.0749 0.0201  -0.0274 -0.0022 67  TRP A CG  
526 C CD1 . TRP A 67  ? 0.7458 1.0903 1.0473 0.0337  -0.0258 0.0089  67  TRP A CD1 
527 C CD2 . TRP A 67  ? 0.6780 0.9604 0.9777 0.0152  -0.0231 0.0079  67  TRP A CD2 
528 N NE1 . TRP A 67  ? 0.7559 1.0712 1.0456 0.0367  -0.0193 0.0251  67  TRP A NE1 
529 C CE2 . TRP A 67  ? 0.7049 0.9833 0.9931 0.0249  -0.0182 0.0233  67  TRP A CE2 
530 C CE3 . TRP A 67  ? 0.7107 0.9615 1.0108 0.0045  -0.0220 0.0053  67  TRP A CE3 
531 C CZ2 . TRP A 67  ? 0.7109 0.9550 0.9902 0.0223  -0.0127 0.0330  67  TRP A CZ2 
532 C CZ3 . TRP A 67  ? 0.6882 0.9085 0.9766 0.0032  -0.0182 0.0156  67  TRP A CZ3 
533 C CH2 . TRP A 67  ? 0.7109 0.9280 0.9900 0.0111  -0.0137 0.0278  67  TRP A CH2 
534 N N   . GLY A 68  ? 0.5288 0.8408 0.8905 -0.0163 -0.0291 -0.0527 68  GLY A N   
535 C CA  . GLY A 68  ? 0.5924 0.9089 0.9778 -0.0255 -0.0256 -0.0696 68  GLY A CA  
536 C C   . GLY A 68  ? 0.7519 1.0882 1.1476 -0.0236 -0.0235 -0.0745 68  GLY A C   
537 O O   . GLY A 68  ? 0.6487 0.9907 1.0314 -0.0150 -0.0245 -0.0627 68  GLY A O   
538 N N   . ASP A 69  ? 0.7238 1.0685 1.1448 -0.0320 -0.0191 -0.0919 69  ASP A N   
539 C CA  . ASP A 69  ? 0.8490 1.2076 1.2844 -0.0327 -0.0154 -0.0985 69  ASP A CA  
540 C C   . ASP A 69  ? 0.8505 1.1777 1.2699 -0.0293 -0.0112 -0.0785 69  ASP A C   
541 O O   . ASP A 69  ? 0.7753 1.0652 1.1839 -0.0317 -0.0076 -0.0667 69  ASP A O   
542 C CB  . ASP A 69  ? 0.8291 1.1873 1.2961 -0.0445 -0.0076 -0.1183 69  ASP A CB  
543 C CG  . ASP A 69  ? 0.9767 1.3632 1.4668 -0.0467 -0.0046 -0.1338 69  ASP A CG  
544 O OD1 . ASP A 69  ? 1.2661 1.6738 1.7455 -0.0380 -0.0096 -0.1276 69  ASP A OD1 
545 O OD2 . ASP A 69  ? 1.1618 1.5492 1.6818 -0.0568 0.0035  -0.1516 69  ASP A OD2 
546 N N   . GLU A 70  ? 0.8189 1.1627 1.2367 -0.0231 -0.0114 -0.0750 70  GLU A N   
547 C CA  . GLU A 70  ? 0.7190 1.0334 1.1245 -0.0208 -0.0063 -0.0584 70  GLU A CA  
548 C C   . GLU A 70  ? 0.8247 1.1366 1.2521 -0.0274 0.0013  -0.0677 70  GLU A C   
549 O O   . GLU A 70  ? 0.8497 1.1491 1.2715 -0.0246 0.0054  -0.0576 70  GLU A O   
550 C CB  . GLU A 70  ? 0.7783 1.1011 1.1651 -0.0092 -0.0085 -0.0431 70  GLU A CB  
551 C CG  . GLU A 70  ? 0.9398 1.2617 1.3067 -0.0022 -0.0132 -0.0323 70  GLU A CG  
552 C CD  . GLU A 70  ? 1.0500 1.3649 1.3980 0.0082  -0.0109 -0.0131 70  GLU A CD  
553 O OE1 . GLU A 70  ? 1.0535 1.3608 1.4012 0.0101  -0.0060 -0.0068 70  GLU A OE1 
554 O OE2 . GLU A 70  ? 1.1065 1.4236 1.4418 0.0147  -0.0130 -0.0047 70  GLU A OE2 
555 N N   . SER A 71  ? 0.8360 1.1592 1.2901 -0.0363 0.0044  -0.0874 71  SER A N   
556 C CA  . SER A 71  ? 0.9510 1.2678 1.4304 -0.0438 0.0145  -0.0970 71  SER A CA  
557 C C   . SER A 71  ? 1.1606 1.4314 1.6275 -0.0441 0.0225  -0.0787 71  SER A C   
558 O O   . SER A 71  ? 1.1938 1.4552 1.6669 -0.0444 0.0295  -0.0752 71  SER A O   
559 C CB  . SER A 71  ? 0.8862 1.2138 1.3969 -0.0540 0.0197  -0.1194 71  SER A CB  
560 O OG  . SER A 71  ? 0.9875 1.3029 1.5246 -0.0611 0.0326  -0.1267 71  SER A OG  
561 N N   . GLN A 72  ? 1.3400 1.5861 1.7899 -0.0437 0.0209  -0.0683 72  GLN A N   
562 C CA  . GLN A 72  ? 1.3272 1.5351 1.7577 -0.0416 0.0252  -0.0496 72  GLN A CA  
563 C C   . GLN A 72  ? 1.2770 1.4789 1.6890 -0.0350 0.0241  -0.0362 72  GLN A C   
564 O O   . GLN A 72  ? 1.1739 1.3519 1.5808 -0.0344 0.0312  -0.0263 72  GLN A O   
565 C CB  . GLN A 72  ? 1.3011 1.4973 1.7128 -0.0400 0.0191  -0.0424 72  GLN A CB  
566 C CG  . GLN A 72  ? 1.2750 1.4670 1.7029 -0.0461 0.0228  -0.0514 72  GLN A CG  
567 C CD  . GLN A 72  ? 1.1904 1.4153 1.6386 -0.0502 0.0190  -0.0715 72  GLN A CD  
568 O OE1 . GLN A 72  ? 1.2914 1.5457 1.7392 -0.0472 0.0123  -0.0780 72  GLN A OE1 
569 N NE2 . GLN A 72  ? 1.2021 1.4249 1.6689 -0.0564 0.0240  -0.0820 72  GLN A NE2 
570 N N   . GLY A 73  ? 1.3045 1.5292 1.7070 -0.0292 0.0165  -0.0353 73  GLY A N   
571 C CA  . GLY A 73  ? 1.2132 1.4325 1.5995 -0.0225 0.0168  -0.0221 73  GLY A CA  
572 C C   . GLY A 73  ? 1.2919 1.4948 1.6519 -0.0177 0.0129  -0.0083 73  GLY A C   
573 O O   . GLY A 73  ? 1.5292 1.7291 1.8758 -0.0115 0.0136  0.0022  73  GLY A O   
574 N N   . GLY A 74  ? 0.9814 1.1752 1.3362 -0.0205 0.0097  -0.0093 74  GLY A N   
575 C CA  . GLY A 74  ? 0.9813 1.1649 1.3151 -0.0165 0.0058  0.0009  74  GLY A CA  
576 C C   . GLY A 74  ? 1.0034 1.2022 1.3382 -0.0166 -0.0008 -0.0050 74  GLY A C   
577 O O   . GLY A 74  ? 1.3902 1.5969 1.7393 -0.0219 -0.0019 -0.0162 74  GLY A O   
578 N N   . ARG A 75  ? 0.8247 1.0265 1.1453 -0.0106 -0.0038 0.0029  75  ARG A N   
579 C CA  . ARG A 75  ? 0.8992 1.1154 1.2182 -0.0090 -0.0095 -0.0001 75  ARG A CA  
580 C C   . ARG A 75  ? 0.8069 1.0019 1.1226 -0.0154 -0.0108 -0.0015 75  ARG A C   
581 O O   . ARG A 75  ? 0.7202 0.8896 1.0264 -0.0175 -0.0080 0.0052  75  ARG A O   
582 C CB  . ARG A 75  ? 0.9709 1.1895 1.2759 0.0000  -0.0086 0.0121  75  ARG A CB  
583 C CG  . ARG A 75  ? 1.0207 1.2734 1.3285 0.0080  -0.0125 0.0104  75  ARG A CG  
584 C CD  . ARG A 75  ? 1.0834 1.3381 1.3797 0.0191  -0.0082 0.0254  75  ARG A CD  
585 N NE  . ARG A 75  ? 1.3028 1.5965 1.6025 0.0292  -0.0112 0.0246  75  ARG A NE  
586 C CZ  . ARG A 75  ? 1.3946 1.7002 1.6873 0.0421  -0.0068 0.0381  75  ARG A CZ  
587 N NH1 . ARG A 75  ? 1.3629 1.6407 1.6467 0.0445  0.0016  0.0520  75  ARG A NH1 
588 N NH2 . ARG A 75  ? 1.4023 1.7488 1.6979 0.0529  -0.0096 0.0374  75  ARG A NH2 
589 N N   . ARG A 76  ? 0.7019 0.9104 1.0267 -0.0182 -0.0148 -0.0112 76  ARG A N   
590 C CA  . ARG A 76  ? 0.7467 0.9394 1.0684 -0.0227 -0.0164 -0.0116 76  ARG A CA  
591 C C   . ARG A 76  ? 0.7073 0.9193 1.0290 -0.0204 -0.0221 -0.0160 76  ARG A C   
592 O O   . ARG A 76  ? 0.6497 0.8903 0.9825 -0.0189 -0.0244 -0.0257 76  ARG A O   
593 C CB  . ARG A 76  ? 0.6294 0.8139 0.9666 -0.0297 -0.0123 -0.0194 76  ARG A CB  
594 C CG  . ARG A 76  ? 0.7958 0.9744 1.1390 -0.0341 -0.0129 -0.0242 76  ARG A CG  
595 C CD  . ARG A 76  ? 0.7348 0.9051 1.0969 -0.0393 -0.0048 -0.0300 76  ARG A CD  
596 N NE  . ARG A 76  ? 0.7860 0.9367 1.1408 -0.0377 0.0007  -0.0196 76  ARG A NE  
597 C CZ  . ARG A 76  ? 0.9465 1.0858 1.3147 -0.0401 0.0099  -0.0200 76  ARG A CZ  
598 N NH1 . ARG A 76  ? 0.9945 1.1376 1.3845 -0.0448 0.0151  -0.0299 76  ARG A NH1 
599 N NH2 . ARG A 76  ? 1.0248 1.1491 1.3860 -0.0376 0.0151  -0.0106 76  ARG A NH2 
600 N N   . LYS A 77  ? 0.6378 0.8360 0.9475 -0.0199 -0.0242 -0.0095 77  LYS A N   
601 C CA  . LYS A 77  ? 0.6111 0.8253 0.9191 -0.0169 -0.0288 -0.0117 77  LYS A CA  
602 C C   . LYS A 77  ? 0.5949 0.8084 0.9131 -0.0235 -0.0307 -0.0215 77  LYS A C   
603 O O   . LYS A 77  ? 0.7137 0.9053 1.0303 -0.0279 -0.0290 -0.0191 77  LYS A O   
604 C CB  . LYS A 77  ? 0.6265 0.8288 0.9189 -0.0122 -0.0285 0.0002  77  LYS A CB  
605 C CG  . LYS A 77  ? 0.6632 0.8829 0.9538 -0.0073 -0.0317 0.0001  77  LYS A CG  
606 C CD  . LYS A 77  ? 0.7477 0.9530 1.0264 -0.0034 -0.0290 0.0115  77  LYS A CD  
607 C CE  . LYS A 77  ? 0.7997 1.0061 1.0733 0.0044  -0.0228 0.0221  77  LYS A CE  
608 N NZ  . LYS A 77  ? 0.8180 1.0094 1.0846 0.0073  -0.0176 0.0317  77  LYS A NZ  
609 N N   . TYR A 78  ? 0.6165 0.8565 0.9454 -0.0231 -0.0338 -0.0329 78  TYR A N   
610 C CA  . TYR A 78  ? 0.6121 0.8535 0.9527 -0.0292 -0.0345 -0.0435 78  TYR A CA  
611 C C   . TYR A 78  ? 0.5848 0.8346 0.9166 -0.0253 -0.0393 -0.0413 78  TYR A C   
612 O O   . TYR A 78  ? 0.5322 0.7989 0.8552 -0.0173 -0.0417 -0.0364 78  TYR A O   
613 C CB  . TYR A 78  ? 0.5916 0.8577 0.9549 -0.0335 -0.0331 -0.0620 78  TYR A CB  
614 C CG  . TYR A 78  ? 0.6532 0.9049 1.0306 -0.0395 -0.0257 -0.0654 78  TYR A CG  
615 C CD1 . TYR A 78  ? 0.7188 0.9733 1.0961 -0.0373 -0.0236 -0.0625 78  TYR A CD1 
616 C CD2 . TYR A 78  ? 0.6230 0.8573 1.0142 -0.0464 -0.0195 -0.0698 78  TYR A CD2 
617 C CE1 . TYR A 78  ? 0.6844 0.9242 1.0748 -0.0423 -0.0157 -0.0645 78  TYR A CE1 
618 C CE2 . TYR A 78  ? 0.6720 0.8916 1.0767 -0.0505 -0.0105 -0.0706 78  TYR A CE2 
619 C CZ  . TYR A 78  ? 0.6496 0.8719 1.0538 -0.0486 -0.0088 -0.0682 78  TYR A CZ  
620 O OH  . TYR A 78  ? 0.6719 0.8779 1.0900 -0.0523 0.0012  -0.0681 78  TYR A OH  
621 N N   . TYR A 79  ? 0.5995 0.8396 0.9361 -0.0304 -0.0395 -0.0454 79  TYR A N   
622 C CA  . TYR A 79  ? 0.5706 0.8171 0.9014 -0.0279 -0.0435 -0.0447 79  TYR A CA  
623 C C   . TYR A 79  ? 0.5929 0.8543 0.9410 -0.0332 -0.0436 -0.0609 79  TYR A C   
624 O O   . TYR A 79  ? 0.5842 0.8363 0.9479 -0.0403 -0.0387 -0.0688 79  TYR A O   
625 C CB  . TYR A 79  ? 0.5669 0.7845 0.8853 -0.0289 -0.0433 -0.0326 79  TYR A CB  
626 C CG  . TYR A 79  ? 0.5226 0.7283 0.8249 -0.0240 -0.0427 -0.0190 79  TYR A CG  
627 C CD1 . TYR A 79  ? 0.5501 0.7636 0.8433 -0.0173 -0.0437 -0.0124 79  TYR A CD1 
628 C CD2 . TYR A 79  ? 0.5993 0.7865 0.8973 -0.0256 -0.0395 -0.0131 79  TYR A CD2 
629 C CE1 . TYR A 79  ? 0.5236 0.7251 0.8061 -0.0132 -0.0404 -0.0010 79  TYR A CE1 
630 C CE2 . TYR A 79  ? 0.5424 0.7195 0.8283 -0.0219 -0.0376 -0.0030 79  TYR A CE2 
631 C CZ  . TYR A 79  ? 0.5431 0.7262 0.8224 -0.0163 -0.0376 0.0025  79  TYR A CZ  
632 O OH  . TYR A 79  ? 0.6099 0.7806 0.8808 -0.0135 -0.0334 0.0114  79  TYR A OH  
633 N N   . ARG A 80  ? 0.5992 0.8842 0.9452 -0.0288 -0.0479 -0.0655 80  ARG A N   
634 C CA  . ARG A 80  ? 0.5762 0.8765 0.9370 -0.0333 -0.0482 -0.0813 80  ARG A CA  
635 C C   . ARG A 80  ? 0.6467 0.9504 0.9968 -0.0289 -0.0520 -0.0765 80  ARG A C   
636 O O   . ARG A 80  ? 0.6046 0.9106 0.9381 -0.0205 -0.0545 -0.0636 80  ARG A O   
637 C CB  . ARG A 80  ? 0.6936 1.0336 1.0680 -0.0323 -0.0496 -0.0991 80  ARG A CB  
638 C CG  . ARG A 80  ? 0.7969 1.1681 1.1579 -0.0203 -0.0549 -0.0944 80  ARG A CG  
639 C CD  . ARG A 80  ? 0.8634 1.2787 1.2414 -0.0206 -0.0566 -0.1166 80  ARG A CD  
640 N NE  . ARG A 80  ? 1.0862 1.5322 1.4538 -0.0084 -0.0599 -0.1108 80  ARG A NE  
641 C CZ  . ARG A 80  ? 1.1095 1.5823 1.4875 -0.0075 -0.0601 -0.1211 80  ARG A CZ  
642 N NH1 . ARG A 80  ? 1.1499 1.6229 1.5512 -0.0192 -0.0567 -0.1400 80  ARG A NH1 
643 N NH2 . ARG A 80  ? 1.0491 1.5491 1.4153 0.0057  -0.0626 -0.1121 80  ARG A NH2 
644 N N   . LEU A 81  ? 0.5593 0.8637 0.9219 -0.0348 -0.0509 -0.0876 81  LEU A N   
645 C CA  . LEU A 81  ? 0.6250 0.9354 0.9816 -0.0319 -0.0540 -0.0867 81  LEU A CA  
646 C C   . LEU A 81  ? 0.6479 1.0004 1.0047 -0.0250 -0.0580 -0.0969 81  LEU A C   
647 O O   . LEU A 81  ? 0.7659 1.1436 1.1364 -0.0270 -0.0577 -0.1127 81  LEU A O   
648 C CB  . LEU A 81  ? 0.6144 0.9109 0.9873 -0.0411 -0.0497 -0.0961 81  LEU A CB  
649 C CG  . LEU A 81  ? 0.7689 1.0520 1.1352 -0.0407 -0.0509 -0.0895 81  LEU A CG  
650 C CD1 . LEU A 81  ? 0.6705 0.9341 1.0158 -0.0352 -0.0537 -0.0693 81  LEU A CD1 
651 C CD2 . LEU A 81  ? 0.7452 1.0077 1.1282 -0.0491 -0.0441 -0.0942 81  LEU A CD2 
652 N N   . THR A 82  ? 0.7032 1.0649 1.0450 -0.0158 -0.0611 -0.0871 82  THR A N   
653 C CA  . THR A 82  ? 0.6295 1.0339 0.9686 -0.0063 -0.0645 -0.0939 82  THR A CA  
654 C C   . THR A 82  ? 0.7803 1.1992 1.1283 -0.0095 -0.0657 -0.1084 82  THR A C   
655 O O   . THR A 82  ? 0.7406 1.1329 1.0952 -0.0182 -0.0634 -0.1098 82  THR A O   
656 C CB  . THR A 82  ? 0.6735 1.0790 0.9923 0.0071  -0.0646 -0.0728 82  THR A CB  
657 O OG1 . THR A 82  ? 0.7060 1.0881 1.0179 0.0065  -0.0636 -0.0630 82  THR A OG1 
658 C CG2 . THR A 82  ? 0.6424 1.0303 0.9540 0.0094  -0.0619 -0.0588 82  THR A CG2 
659 N N   . GLU A 83  ? 0.7617 1.2253 1.1098 -0.0016 -0.0691 -0.1192 83  GLU A N   
660 C CA  . GLU A 83  ? 0.8558 1.3375 1.2109 -0.0033 -0.0702 -0.1336 83  GLU A CA  
661 C C   . GLU A 83  ? 0.7019 1.1542 1.0446 -0.0014 -0.0692 -0.1166 83  GLU A C   
662 O O   . GLU A 83  ? 0.6674 1.1032 1.0198 -0.0103 -0.0675 -0.1238 83  GLU A O   
663 C CB  . GLU A 83  ? 0.8660 1.4045 1.2190 0.0078  -0.0744 -0.1454 83  GLU A CB  
664 C CG  . GLU A 83  ? 1.0502 1.6243 1.4198 0.0044  -0.0759 -0.1679 83  GLU A CG  
665 C CD  . GLU A 83  ? 1.1522 1.7288 1.5498 -0.0116 -0.0729 -0.1968 83  GLU A CD  
666 O OE1 . GLU A 83  ? 1.0798 1.6132 1.4882 -0.0239 -0.0673 -0.1950 83  GLU A OE1 
667 O OE2 . GLU A 83  ? 1.2547 1.8787 1.6647 -0.0112 -0.0752 -0.2217 83  GLU A OE2 
668 N N   . ILE A 84  ? 0.6347 1.0804 0.9583 0.0099  -0.0690 -0.0943 84  ILE A N   
669 C CA  . ILE A 84  ? 0.7335 1.1519 1.0463 0.0122  -0.0671 -0.0775 84  ILE A CA  
670 C C   . ILE A 84  ? 0.6644 1.0393 0.9838 -0.0009 -0.0652 -0.0754 84  ILE A C   
671 O O   . ILE A 84  ? 0.8165 1.1748 1.1381 -0.0054 -0.0646 -0.0750 84  ILE A O   
672 C CB  . ILE A 84  ? 0.7607 1.1761 1.0566 0.0255  -0.0642 -0.0546 84  ILE A CB  
673 C CG1 . ILE A 84  ? 0.7604 1.2202 1.0486 0.0416  -0.0646 -0.0530 84  ILE A CG1 
674 C CG2 . ILE A 84  ? 0.7610 1.1426 1.0498 0.0252  -0.0606 -0.0384 84  ILE A CG2 
675 C CD1 . ILE A 84  ? 0.7530 1.2073 1.0268 0.0563  -0.0582 -0.0279 84  ILE A CD1 
676 N N   . GLY A 85  ? 0.6833 1.0421 1.0053 -0.0057 -0.0641 -0.0733 85  GLY A N   
677 C CA  . GLY A 85  ? 0.6722 0.9952 1.0004 -0.0165 -0.0619 -0.0715 85  GLY A CA  
678 C C   . GLY A 85  ? 0.6791 1.0000 1.0235 -0.0254 -0.0604 -0.0862 85  GLY A C   
679 O O   . GLY A 85  ? 0.5769 0.8755 0.9208 -0.0287 -0.0593 -0.0803 85  GLY A O   
680 N N   . HIS A 86  ? 0.6601 1.0067 1.0201 -0.0289 -0.0598 -0.1061 86  HIS A N   
681 C CA  . HIS A 86  ? 0.6439 0.9895 1.0243 -0.0382 -0.0557 -0.1228 86  HIS A CA  
682 C C   . HIS A 86  ? 0.6445 0.9926 1.0215 -0.0362 -0.0569 -0.1226 86  HIS A C   
683 O O   . HIS A 86  ? 0.6025 0.9337 0.9911 -0.0430 -0.0526 -0.1265 86  HIS A O   
684 C CB  . HIS A 86  ? 0.6578 1.0372 1.0574 -0.0420 -0.0544 -0.1476 86  HIS A CB  
685 C CG  . HIS A 86  ? 0.6507 1.0230 1.0624 -0.0476 -0.0503 -0.1521 86  HIS A CG  
686 N ND1 . HIS A 86  ? 0.6739 1.0191 1.1040 -0.0574 -0.0417 -0.1555 86  HIS A ND1 
687 C CD2 . HIS A 86  ? 0.6178 1.0066 1.0265 -0.0441 -0.0527 -0.1529 86  HIS A CD2 
688 C CE1 . HIS A 86  ? 0.6358 0.9803 1.0734 -0.0598 -0.0389 -0.1581 86  HIS A CE1 
689 N NE2 . HIS A 86  ? 0.5502 0.9205 0.9747 -0.0523 -0.0460 -0.1569 86  HIS A NE2 
690 N N   . GLU A 87  ? 0.6490 1.0207 1.0116 -0.0260 -0.0616 -0.1183 87  GLU A N   
691 C CA  . GLU A 87  ? 0.7033 1.0824 1.0627 -0.0230 -0.0625 -0.1191 87  GLU A CA  
692 C C   . GLU A 87  ? 0.7561 1.0985 1.1065 -0.0237 -0.0614 -0.1003 87  GLU A C   
693 O O   . GLU A 87  ? 0.6780 1.0091 1.0352 -0.0282 -0.0595 -0.1031 87  GLU A O   
694 C CB  . GLU A 87  ? 0.6957 1.1114 1.0414 -0.0096 -0.0664 -0.1169 87  GLU A CB  
695 C CG  . GLU A 87  ? 0.8457 1.2781 1.1891 -0.0052 -0.0671 -0.1211 87  GLU A CG  
696 C CD  . GLU A 87  ? 0.9968 1.4423 1.3605 -0.0146 -0.0653 -0.1459 87  GLU A CD  
697 O OE1 . GLU A 87  ? 1.1320 1.5833 1.5141 -0.0238 -0.0631 -0.1639 87  GLU A OE1 
698 O OE2 . GLU A 87  ? 0.9765 1.4254 1.3391 -0.0130 -0.0649 -0.1474 87  GLU A OE2 
699 N N   . ASN A 88  ? 0.7252 1.0504 1.0616 -0.0194 -0.0623 -0.0823 88  ASN A N   
700 C CA  . ASN A 88  ? 0.6419 0.9356 0.9711 -0.0205 -0.0615 -0.0667 88  ASN A CA  
701 C C   . ASN A 88  ? 0.6064 0.8757 0.9474 -0.0305 -0.0589 -0.0697 88  ASN A C   
702 O O   . ASN A 88  ? 0.6661 0.9195 1.0083 -0.0327 -0.0580 -0.0650 88  ASN A O   
703 C CB  . ASN A 88  ? 0.6517 0.9332 0.9677 -0.0156 -0.0615 -0.0508 88  ASN A CB  
704 C CG  . ASN A 88  ? 0.6806 0.9820 0.9855 -0.0038 -0.0612 -0.0432 88  ASN A CG  
705 O OD1 . ASN A 88  ? 0.8215 1.1478 1.1273 0.0009  -0.0621 -0.0501 88  ASN A OD1 
706 N ND2 . ASN A 88  ? 0.8763 1.1683 1.1716 0.0016  -0.0588 -0.0290 88  ASN A ND2 
707 N N   . MET A 89  ? 0.5625 0.8298 0.9137 -0.0357 -0.0566 -0.0771 89  MET A N   
708 C CA  . MET A 89  ? 0.5737 0.8184 0.9368 -0.0430 -0.0518 -0.0775 89  MET A CA  
709 C C   . MET A 89  ? 0.6972 0.9463 1.0750 -0.0468 -0.0482 -0.0886 89  MET A C   
710 O O   . MET A 89  ? 0.6676 0.8965 1.0503 -0.0496 -0.0446 -0.0827 89  MET A O   
711 C CB  . MET A 89  ? 0.6528 0.8949 1.0265 -0.0473 -0.0478 -0.0833 89  MET A CB  
712 C CG  . MET A 89  ? 0.6991 0.9316 1.0590 -0.0441 -0.0503 -0.0710 89  MET A CG  
713 S SD  . MET A 89  ? 0.6715 0.8948 1.0458 -0.0497 -0.0437 -0.0759 89  MET A SD  
714 C CE  . MET A 89  ? 0.6507 0.8474 1.0368 -0.0537 -0.0356 -0.0702 89  MET A CE  
715 N N   . ARG A 90  ? 0.6857 0.9632 1.0696 -0.0461 -0.0491 -0.1042 90  ARG A N   
716 C CA  . ARG A 90  ? 0.7328 1.0185 1.1316 -0.0500 -0.0452 -0.1179 90  ARG A CA  
717 C C   . ARG A 90  ? 0.7180 0.9986 1.1056 -0.0456 -0.0481 -0.1080 90  ARG A C   
718 O O   . ARG A 90  ? 0.7162 0.9817 1.1131 -0.0494 -0.0438 -0.1075 90  ARG A O   
719 C CB  . ARG A 90  ? 0.7523 1.0753 1.1601 -0.0500 -0.0460 -0.1397 90  ARG A CB  
720 C CG  . ARG A 90  ? 0.8593 1.1914 1.2881 -0.0563 -0.0400 -0.1588 90  ARG A CG  
721 C CD  . ARG A 90  ? 0.9123 1.2873 1.3502 -0.0563 -0.0416 -0.1832 90  ARG A CD  
722 N NE  . ARG A 90  ? 0.9952 1.3971 1.4121 -0.0451 -0.0500 -0.1784 90  ARG A NE  
723 C CZ  . ARG A 90  ? 0.9801 1.3848 1.3902 -0.0412 -0.0511 -0.1753 90  ARG A CZ  
724 N NH1 . ARG A 90  ? 0.9550 1.3440 1.3798 -0.0484 -0.0450 -0.1815 90  ARG A NH1 
725 N NH2 . ARG A 90  ? 1.0242 1.4485 1.4137 -0.0293 -0.0572 -0.1656 90  ARG A NH2 
726 N N   . LEU A 91  ? 0.6533 0.9476 1.0230 -0.0371 -0.0541 -0.1003 91  LEU A N   
727 C CA  . LEU A 91  ? 0.7456 1.0334 1.1051 -0.0325 -0.0558 -0.0893 91  LEU A CA  
728 C C   . LEU A 91  ? 0.7207 0.9756 1.0792 -0.0359 -0.0544 -0.0753 91  LEU A C   
729 O O   . LEU A 91  ? 0.6924 0.9380 1.0551 -0.0375 -0.0528 -0.0735 91  LEU A O   
730 C CB  . LEU A 91  ? 0.7470 1.0478 1.0882 -0.0221 -0.0595 -0.0782 91  LEU A CB  
731 C CG  . LEU A 91  ? 0.7868 1.1261 1.1254 -0.0148 -0.0613 -0.0887 91  LEU A CG  
732 C CD1 . LEU A 91  ? 0.8099 1.1577 1.1320 -0.0038 -0.0626 -0.0743 91  LEU A CD1 
733 C CD2 . LEU A 91  ? 0.8605 1.2160 1.2009 -0.0120 -0.0608 -0.0957 91  LEU A CD2 
734 N N   . ALA A 92  ? 0.7070 0.9469 1.0594 -0.0364 -0.0553 -0.0657 92  ALA A N   
735 C CA  . ALA A 92  ? 0.6583 0.8727 1.0085 -0.0385 -0.0548 -0.0535 92  ALA A CA  
736 C C   . ALA A 92  ? 0.6952 0.8994 1.0612 -0.0437 -0.0495 -0.0579 92  ALA A C   
737 O O   . ALA A 92  ? 0.8787 1.0736 1.2450 -0.0434 -0.0492 -0.0518 92  ALA A O   
738 C CB  . ALA A 92  ? 0.5826 0.7870 0.9261 -0.0386 -0.0558 -0.0463 92  ALA A CB  
739 N N   . PHE A 93  ? 0.6687 0.8754 1.0489 -0.0480 -0.0442 -0.0683 93  PHE A N   
740 C CA  . PHE A 93  ? 0.7445 0.9388 1.1430 -0.0524 -0.0356 -0.0711 93  PHE A CA  
741 C C   . PHE A 93  ? 0.8122 1.0094 1.2198 -0.0534 -0.0326 -0.0766 93  PHE A C   
742 O O   . PHE A 93  ? 0.7768 0.9592 1.1931 -0.0540 -0.0270 -0.0705 93  PHE A O   
743 C CB  . PHE A 93  ? 0.7216 0.9228 1.1373 -0.0572 -0.0289 -0.0855 93  PHE A CB  
744 C CG  . PHE A 93  ? 0.8028 0.9924 1.2428 -0.0617 -0.0163 -0.0907 93  PHE A CG  
745 C CD1 . PHE A 93  ? 0.8155 0.9839 1.2610 -0.0609 -0.0089 -0.0783 93  PHE A CD1 
746 C CD2 . PHE A 93  ? 0.8963 1.0966 1.3537 -0.0658 -0.0107 -0.1068 93  PHE A CD2 
747 C CE1 . PHE A 93  ? 0.8846 1.0413 1.3536 -0.0633 0.0051  -0.0802 93  PHE A CE1 
748 C CE2 . PHE A 93  ? 0.9706 1.1582 1.4529 -0.0698 0.0033  -0.1111 93  PHE A CE2 
749 C CZ  . PHE A 93  ? 0.9721 1.1371 1.4606 -0.0682 0.0119  -0.0968 93  PHE A CZ  
750 N N   . GLU A 94  ? 0.7431 0.9618 1.1493 -0.0527 -0.0358 -0.0883 94  GLU A N   
751 C CA  . GLU A 94  ? 0.7066 0.9320 1.1212 -0.0535 -0.0332 -0.0961 94  GLU A CA  
752 C C   . GLU A 94  ? 0.7035 0.9188 1.1048 -0.0490 -0.0376 -0.0809 94  GLU A C   
753 O O   . GLU A 94  ? 0.7484 0.9561 1.1584 -0.0502 -0.0334 -0.0800 94  GLU A O   
754 C CB  . GLU A 94  ? 0.6915 0.9474 1.1050 -0.0521 -0.0363 -0.1122 94  GLU A CB  
755 C CG  . GLU A 94  ? 0.8388 1.1108 1.2694 -0.0576 -0.0317 -0.1323 94  GLU A CG  
756 C CD  . GLU A 94  ? 0.9456 1.2541 1.3774 -0.0559 -0.0346 -0.1513 94  GLU A CD  
757 O OE1 . GLU A 94  ? 1.0956 1.4167 1.5116 -0.0487 -0.0404 -0.1459 94  GLU A OE1 
758 O OE2 . GLU A 94  ? 1.0467 1.3721 1.4965 -0.0615 -0.0301 -0.1720 94  GLU A OE2 
759 N N   . SER A 95  ? 0.6826 0.8998 1.0649 -0.0440 -0.0451 -0.0704 95  SER A N   
760 C CA  . SER A 95  ? 0.6293 0.8383 1.0009 -0.0403 -0.0486 -0.0575 95  SER A CA  
761 C C   . SER A 95  ? 0.6739 0.8622 1.0500 -0.0423 -0.0464 -0.0475 95  SER A C   
762 O O   . SER A 95  ? 0.6525 0.8349 1.0304 -0.0415 -0.0460 -0.0423 95  SER A O   
763 C CB  . SER A 95  ? 0.6526 0.8654 1.0074 -0.0350 -0.0539 -0.0488 95  SER A CB  
764 O OG  . SER A 95  ? 0.6734 0.8761 1.0232 -0.0360 -0.0553 -0.0425 95  SER A OG  
765 N N   . TRP A 96  ? 0.5871 0.7665 0.9659 -0.0441 -0.0444 -0.0450 96  TRP A N   
766 C CA  . TRP A 96  ? 0.6249 0.7890 1.0064 -0.0436 -0.0421 -0.0340 96  TRP A CA  
767 C C   . TRP A 96  ? 0.7002 0.8592 1.0993 -0.0450 -0.0335 -0.0367 96  TRP A C   
768 O O   . TRP A 96  ? 0.7028 0.8533 1.1032 -0.0424 -0.0321 -0.0261 96  TRP A O   
769 C CB  . TRP A 96  ? 0.5351 0.6914 0.9132 -0.0432 -0.0417 -0.0279 96  TRP A CB  
770 C CG  . TRP A 96  ? 0.6781 0.8338 1.0392 -0.0410 -0.0494 -0.0202 96  TRP A CG  
771 C CD1 . TRP A 96  ? 0.7448 0.9052 1.0966 -0.0410 -0.0529 -0.0222 96  TRP A CD1 
772 C CD2 . TRP A 96  ? 0.6990 0.8509 1.0525 -0.0388 -0.0536 -0.0108 96  TRP A CD2 
773 N NE1 . TRP A 96  ? 0.7021 0.8591 1.0422 -0.0393 -0.0577 -0.0146 96  TRP A NE1 
774 C CE2 . TRP A 96  ? 0.7369 0.8899 1.0783 -0.0385 -0.0585 -0.0088 96  TRP A CE2 
775 C CE3 . TRP A 96  ? 0.6573 0.8067 1.0145 -0.0370 -0.0532 -0.0046 96  TRP A CE3 
776 C CZ2 . TRP A 96  ? 0.7224 0.8741 1.0569 -0.0376 -0.0626 -0.0033 96  TRP A CZ2 
777 C CZ3 . TRP A 96  ? 0.7259 0.8765 1.0750 -0.0356 -0.0586 0.0011  96  TRP A CZ3 
778 C CH2 . TRP A 96  ? 0.6489 0.8006 0.9876 -0.0364 -0.0630 0.0007  96  TRP A CH2 
779 N N   . SER A 97  ? 0.6956 0.8611 1.1097 -0.0489 -0.0269 -0.0510 97  SER A N   
780 C CA  . SER A 97  ? 0.7344 0.8928 1.1688 -0.0507 -0.0159 -0.0540 97  SER A CA  
781 C C   . SER A 97  ? 0.6703 0.8324 1.1048 -0.0497 -0.0173 -0.0548 97  SER A C   
782 O O   . SER A 97  ? 0.6933 0.8455 1.1374 -0.0483 -0.0109 -0.0479 97  SER A O   
783 C CB  . SER A 97  ? 0.7686 0.9303 1.2242 -0.0562 -0.0055 -0.0703 97  SER A CB  
784 O OG  . SER A 97  ? 0.9175 1.0986 1.3690 -0.0589 -0.0110 -0.0856 97  SER A OG  
785 N N   . ARG A 98  ? 0.6319 0.8085 1.0550 -0.0491 -0.0250 -0.0611 98  ARG A N   
786 C CA  . ARG A 98  ? 0.7326 0.9122 1.1515 -0.0468 -0.0277 -0.0583 98  ARG A CA  
787 C C   . ARG A 98  ? 0.7456 0.9127 1.1567 -0.0432 -0.0312 -0.0409 98  ARG A C   
788 O O   . ARG A 98  ? 0.8244 0.9863 1.2418 -0.0420 -0.0282 -0.0360 98  ARG A O   
789 C CB  . ARG A 98  ? 0.6971 0.8941 1.1022 -0.0442 -0.0349 -0.0634 98  ARG A CB  
790 C CG  . ARG A 98  ? 0.7581 0.9749 1.1703 -0.0465 -0.0326 -0.0822 98  ARG A CG  
791 C CD  . ARG A 98  ? 0.7929 1.0328 1.1945 -0.0418 -0.0373 -0.0886 98  ARG A CD  
792 N NE  . ARG A 98  ? 0.8348 1.0799 1.2175 -0.0359 -0.0442 -0.0786 98  ARG A NE  
793 C CZ  . ARG A 98  ? 0.8721 1.1242 1.2493 -0.0352 -0.0468 -0.0802 98  ARG A CZ  
794 N NH1 . ARG A 98  ? 0.8673 1.1250 1.2563 -0.0403 -0.0438 -0.0932 98  ARG A NH1 
795 N NH2 . ARG A 98  ? 0.9109 1.1634 1.2724 -0.0295 -0.0511 -0.0686 98  ARG A NH2 
796 N N   . VAL A 99  ? 0.7022 0.8663 1.1005 -0.0415 -0.0372 -0.0325 99  VAL A N   
797 C CA  . VAL A 99  ? 0.6781 0.8357 1.0690 -0.0386 -0.0415 -0.0192 99  VAL A CA  
798 C C   . VAL A 99  ? 0.6665 0.8155 1.0685 -0.0368 -0.0351 -0.0116 99  VAL A C   
799 O O   . VAL A 99  ? 0.6445 0.7925 1.0476 -0.0340 -0.0358 -0.0039 99  VAL A O   
800 C CB  . VAL A 99  ? 0.6651 0.8224 1.0424 -0.0378 -0.0478 -0.0143 99  VAL A CB  
801 C CG1 . VAL A 99  ? 0.6555 0.8088 1.0287 -0.0353 -0.0509 -0.0034 99  VAL A CG1 
802 C CG2 . VAL A 99  ? 0.6901 0.8549 1.0566 -0.0373 -0.0527 -0.0174 99  VAL A CG2 
803 N N   . ASP A 100 ? 0.6010 0.7448 1.0120 -0.0376 -0.0279 -0.0129 100 ASP A N   
804 C CA  . ASP A 100 ? 0.7286 0.8640 1.1517 -0.0339 -0.0187 -0.0035 100 ASP A CA  
805 C C   . ASP A 100 ? 0.7513 0.8843 1.1901 -0.0341 -0.0105 -0.0059 100 ASP A C   
806 O O   . ASP A 100 ? 0.6221 0.7501 1.0688 -0.0290 -0.0042 0.0053  100 ASP A O   
807 C CB  . ASP A 100 ? 0.7828 0.9117 1.2172 -0.0349 -0.0089 -0.0057 100 ASP A CB  
808 C CG  . ASP A 100 ? 0.8472 0.9764 1.2691 -0.0341 -0.0142 -0.0020 100 ASP A CG  
809 O OD1 . ASP A 100 ? 1.0228 1.1556 1.4286 -0.0309 -0.0235 0.0061  100 ASP A OD1 
810 O OD2 . ASP A 100 ? 0.9236 1.0500 1.3534 -0.0370 -0.0082 -0.0087 100 ASP A OD2 
811 N N   . LYS A 101 ? 0.6779 0.8163 1.1219 -0.0392 -0.0098 -0.0207 101 LYS A N   
812 C CA  . LYS A 101 ? 0.7007 0.8380 1.1593 -0.0401 -0.0022 -0.0253 101 LYS A CA  
813 C C   . LYS A 101 ? 0.7406 0.8803 1.1902 -0.0365 -0.0090 -0.0165 101 LYS A C   
814 O O   . LYS A 101 ? 0.6834 0.8183 1.1429 -0.0333 -0.0029 -0.0090 101 LYS A O   
815 C CB  . LYS A 101 ? 0.7737 0.9210 1.2379 -0.0462 -0.0009 -0.0455 101 LYS A CB  
816 C CG  . LYS A 101 ? 0.8704 1.0185 1.3516 -0.0484 0.0080  -0.0549 101 LYS A CG  
817 C CD  . LYS A 101 ? 0.9761 1.1093 1.4794 -0.0472 0.0234  -0.0485 101 LYS A CD  
818 C CE  . LYS A 101 ? 1.0021 1.1368 1.5266 -0.0518 0.0348  -0.0638 101 LYS A CE  
819 N NZ  . LYS A 101 ? 1.0912 1.2141 1.6274 -0.0474 0.0441  -0.0513 101 LYS A NZ  
820 N N   . ILE A 102 ? 0.6764 0.8241 1.1089 -0.0368 -0.0206 -0.0175 102 ILE A N   
821 C CA  . ILE A 102 ? 0.6693 0.8197 1.0937 -0.0341 -0.0272 -0.0101 102 ILE A CA  
822 C C   . ILE A 102 ? 0.6703 0.8170 1.0962 -0.0293 -0.0270 0.0041  102 ILE A C   
823 O O   . ILE A 102 ? 0.6485 0.7965 1.0780 -0.0266 -0.0269 0.0100  102 ILE A O   
824 C CB  . ILE A 102 ? 0.5991 0.7560 1.0068 -0.0345 -0.0371 -0.0113 102 ILE A CB  
825 C CG1 . ILE A 102 ? 0.6446 0.8101 1.0501 -0.0363 -0.0370 -0.0231 102 ILE A CG1 
826 C CG2 . ILE A 102 ? 0.6781 0.8363 1.0801 -0.0322 -0.0428 -0.0027 102 ILE A CG2 
827 C CD1 . ILE A 102 ? 0.6432 0.8154 1.0338 -0.0351 -0.0437 -0.0232 102 ILE A CD1 
828 N N   . ILE A 103 ? 0.6215 0.7661 1.0441 -0.0274 -0.0270 0.0099  103 ILE A N   
829 C CA  . ILE A 103 ? 0.6235 0.7701 1.0451 -0.0210 -0.0277 0.0236  103 ILE A CA  
830 C C   . ILE A 103 ? 0.7932 0.9342 1.2318 -0.0163 -0.0150 0.0311  103 ILE A C   
831 O O   . ILE A 103 ? 0.7572 0.9031 1.1980 -0.0102 -0.0149 0.0418  103 ILE A O   
832 C CB  . ILE A 103 ? 0.6366 0.7852 1.0473 -0.0198 -0.0322 0.0270  103 ILE A CB  
833 C CG1 . ILE A 103 ? 0.6834 0.8378 1.0799 -0.0238 -0.0435 0.0210  103 ILE A CG1 
834 C CG2 . ILE A 103 ? 0.6697 0.8235 1.0802 -0.0114 -0.0307 0.0413  103 ILE A CG2 
835 C CD1 . ILE A 103 ? 0.7213 0.8807 1.1064 -0.0224 -0.0498 0.0246  103 ILE A CD1 
836 N N   . GLU A 104 ? 0.7641 0.8959 1.2166 -0.0191 -0.0036 0.0246  104 GLU A N   
837 C CA  . GLU A 104 ? 0.7971 0.9212 1.2696 -0.0154 0.0113  0.0302  104 GLU A CA  
838 C C   . GLU A 104 ? 0.7849 0.9120 1.2608 -0.0152 0.0100  0.0297  104 GLU A C   
839 O O   . GLU A 104 ? 0.7707 0.8995 1.2516 -0.0080 0.0135  0.0428  104 GLU A O   
840 C CB  . GLU A 104 ? 0.8051 0.9198 1.2951 -0.0213 0.0241  0.0174  104 GLU A CB  
841 C CG  . GLU A 104 ? 0.9207 1.0282 1.4174 -0.0186 0.0334  0.0233  104 GLU A CG  
842 C CD  . GLU A 104 ? 1.0382 1.1411 1.5481 -0.0273 0.0410  0.0052  104 GLU A CD  
843 O OE1 . GLU A 104 ? 1.0767 1.1820 1.5959 -0.0343 0.0431  -0.0114 104 GLU A OE1 
844 O OE2 . GLU A 104 ? 0.9491 1.0486 1.4588 -0.0271 0.0438  0.0065  104 GLU A OE2 
845 N N   . ASN A 105 ? 0.7471 0.8770 1.2195 -0.0223 0.0047  0.0152  105 ASN A N   
846 C CA  . ASN A 105 ? 0.7627 0.8956 1.2375 -0.0229 0.0033  0.0128  105 ASN A CA  
847 C C   . ASN A 105 ? 0.7582 0.8983 1.2237 -0.0176 -0.0054 0.0250  105 ASN A C   
848 O O   . ASN A 105 ? 0.9522 1.0931 1.4251 -0.0153 -0.0025 0.0288  105 ASN A O   
849 C CB  . ASN A 105 ? 0.7310 0.8697 1.1985 -0.0292 -0.0027 -0.0027 105 ASN A CB  
850 C CG  . ASN A 105 ? 0.7355 0.8723 1.2153 -0.0345 0.0063  -0.0179 105 ASN A CG  
851 O OD1 . ASN A 105 ? 0.8409 0.9689 1.3369 -0.0342 0.0183  -0.0165 105 ASN A OD1 
852 N ND2 . ASN A 105 ? 0.8059 0.9523 1.2794 -0.0388 0.0015  -0.0324 105 ASN A ND2 
853 N N   . LEU A 106 ? 0.8353 0.9823 1.2861 -0.0163 -0.0159 0.0296  106 LEU A N   
854 C CA  . LEU A 106 ? 0.8378 0.9950 1.2833 -0.0119 -0.0234 0.0386  106 LEU A CA  
855 C C   . LEU A 106 ? 0.7215 0.8818 1.1763 -0.0027 -0.0164 0.0534  106 LEU A C   
856 O O   . LEU A 106 ? 0.8529 1.0210 1.3113 0.0012  -0.0178 0.0595  106 LEU A O   
857 C CB  . LEU A 106 ? 0.7666 0.9316 1.1968 -0.0132 -0.0347 0.0376  106 LEU A CB  
858 C CG  . LEU A 106 ? 0.8434 1.0069 1.2646 -0.0201 -0.0408 0.0261  106 LEU A CG  
859 C CD1 . LEU A 106 ? 0.7264 0.8929 1.1355 -0.0216 -0.0476 0.0247  106 LEU A CD1 
860 C CD2 . LEU A 106 ? 0.8193 0.9880 1.2410 -0.0212 -0.0450 0.0246  106 LEU A CD2 
861 N N   . GLU A 107 ? 0.7587 0.9149 1.2168 0.0015  -0.0091 0.0601  107 GLU A N   
862 C CA  . GLU A 107 ? 0.9153 1.0747 1.3826 0.0127  0.0003  0.0768  107 GLU A CA  
863 C C   . GLU A 107 ? 0.9519 1.1013 1.4382 0.0139  0.0139  0.0785  107 GLU A C   
864 O O   . GLU A 107 ? 0.9303 1.0872 1.4226 0.0218  0.0168  0.0902  107 GLU A O   
865 C CB  . GLU A 107 ? 0.9985 1.1525 1.4667 0.0167  0.0080  0.0830  107 GLU A CB  
866 C CG  . GLU A 107 ? 1.0294 1.1937 1.4788 0.0162  -0.0047 0.0817  107 GLU A CG  
867 C CD  . GLU A 107 ? 1.0972 1.2549 1.5464 0.0189  0.0022  0.0860  107 GLU A CD  
868 O OE1 . GLU A 107 ? 1.3503 1.4953 1.8157 0.0221  0.0186  0.0913  107 GLU A OE1 
869 O OE2 . GLU A 107 ? 0.9709 1.1358 1.4050 0.0176  -0.0077 0.0834  107 GLU A OE2 
870 N N   . ALA A 108 ? 0.9047 1.0398 1.4008 0.0055  0.0217  0.0652  108 ALA A N   
871 C CA  . ALA A 108 ? 0.8307 0.9560 1.3461 0.0042  0.0350  0.0619  108 ALA A CA  
872 C C   . ALA A 108 ? 0.8572 0.9901 1.3705 0.0048  0.0284  0.0627  108 ALA A C   
873 O O   . ALA A 108 ? 0.7822 0.9144 1.3080 0.0114  0.0375  0.0731  108 ALA A O   
874 C CB  . ALA A 108 ? 0.8487 0.9647 1.3708 -0.0065 0.0395  0.0419  108 ALA A CB  
875 N N   . ASN A 109 ? 0.8573 0.9969 1.3557 -0.0016 0.0140  0.0523  109 ASN A N   
876 C CA  . ASN A 109 ? 0.8764 1.0222 1.3734 -0.0022 0.0082  0.0512  109 ASN A CA  
877 C C   . ASN A 109 ? 0.8761 1.0351 1.3714 0.0065  0.0036  0.0665  109 ASN A C   
878 O O   . ASN A 109 ? 0.8091 0.9714 1.3122 0.0098  0.0060  0.0714  109 ASN A O   
879 C CB  . ASN A 109 ? 0.8071 0.9571 1.2898 -0.0096 -0.0040 0.0389  109 ASN A CB  
880 C CG  . ASN A 109 ? 0.8712 1.0143 1.3559 -0.0166 0.0002  0.0234  109 ASN A CG  
881 O OD1 . ASN A 109 ? 0.7576 0.8928 1.2574 -0.0175 0.0126  0.0193  109 ASN A OD1 
882 N ND2 . ASN A 109 ? 0.8675 1.0148 1.3385 -0.0212 -0.0086 0.0142  109 ASN A ND2 
883 N N   . LYS A 110 ? 0.8295 0.9982 1.3146 0.0106  -0.0030 0.0732  110 LYS A N   
884 C CA  . LYS A 110 ? 0.9918 1.1793 1.4748 0.0196  -0.0084 0.0857  110 LYS A CA  
885 C C   . LYS A 110 ? 1.0727 1.2589 1.5717 0.0300  0.0058  0.1007  110 LYS A C   
886 O O   . LYS A 110 ? 1.2222 1.4169 1.7276 0.0343  0.0059  0.1064  110 LYS A O   
887 C CB  . LYS A 110 ? 1.0029 1.2045 1.4737 0.0241  -0.0162 0.0908  110 LYS A CB  
888 C CG  . LYS A 110 ? 1.0923 1.3198 1.5600 0.0308  -0.0254 0.0971  110 LYS A CG  
889 C CD  . LYS A 110 ? 1.1202 1.3695 1.5799 0.0408  -0.0297 0.1069  110 LYS A CD  
890 C CE  . LYS A 110 ? 1.2187 1.4964 1.6804 0.0478  -0.0367 0.1116  110 LYS A CE  
891 N NZ  . LYS A 110 ? 1.3000 1.6071 1.7522 0.0563  -0.0447 0.1162  110 LYS A NZ  
892 N N   . LYS A 111 ? 1.1547 1.3290 1.6614 0.0338  0.0190  0.1068  111 LYS A N   
893 C CA  . LYS A 111 ? 1.1386 1.3096 1.6621 0.0454  0.0363  0.1237  111 LYS A CA  
894 C C   . LYS A 111 ? 1.2369 1.3979 1.7764 0.0431  0.0456  0.1209  111 LYS A C   
895 O O   . LYS A 111 ? 1.3661 1.5365 1.9131 0.0528  0.0498  0.1344  111 LYS A O   
896 C CB  . LYS A 111 ? 1.0759 1.2306 1.6070 0.0457  0.0502  0.1250  111 LYS A CB  
897 C CG  . LYS A 111 ? 1.1589 1.3120 1.7055 0.0607  0.0692  0.1466  111 LYS A CG  
898 C CD  . LYS A 111 ? 1.2163 1.3467 1.7798 0.0588  0.0888  0.1451  111 LYS A CD  
899 C CE  . LYS A 111 ? 1.2912 1.4144 1.8783 0.0718  0.1127  0.1643  111 LYS A CE  
900 N NZ  . LYS A 111 ? 1.3545 1.4542 1.9632 0.0691  0.1348  0.1614  111 LYS A NZ  
901 N N   . SER A 112 ? 1.2873 1.4321 1.8310 0.0306  0.0478  0.1027  112 SER A N   
902 C CA  . SER A 112 ? 1.2466 1.3807 1.8055 0.0265  0.0575  0.0959  112 SER A CA  
903 C C   . SER A 112 ? 1.3784 1.5248 1.9339 0.0288  0.0487  0.0995  112 SER A C   
904 O O   . SER A 112 ? 1.5664 1.7068 2.1365 0.0301  0.0588  0.1010  112 SER A O   
905 C CB  . SER A 112 ? 1.1659 1.2888 1.7244 0.0129  0.0568  0.0734  112 SER A CB  
906 O OG  . SER A 112 ? 1.1472 1.2700 1.7080 0.0080  0.0548  0.0640  112 SER A OG  
907 N N   . GLU A 113 ? 1.4571 1.6205 1.9953 0.0285  0.0309  0.0994  113 GLU A N   
908 C CA  . GLU A 113 ? 1.5032 1.6801 2.0402 0.0303  0.0227  0.1017  113 GLU A CA  
909 C C   . GLU A 113 ? 1.5316 1.7291 2.0702 0.0439  0.0217  0.1203  113 GLU A C   
910 O O   . GLU A 113 ? 1.5334 1.7445 2.0750 0.0471  0.0171  0.1240  113 GLU A O   
911 C CB  . GLU A 113 ? 1.4889 1.6725 2.0105 0.0212  0.0061  0.0883  113 GLU A CB  
912 C CG  . GLU A 113 ? 1.5550 1.7229 2.0744 0.0103  0.0074  0.0717  113 GLU A CG  
913 C CD  . GLU A 113 ? 1.7059 1.8793 2.2095 0.0034  -0.0064 0.0615  113 GLU A CD  
914 O OE1 . GLU A 113 ? 1.6521 1.8365 2.1538 0.0035  -0.0142 0.0623  113 GLU A OE1 
915 O OE2 . GLU A 113 ? 1.7881 1.9554 2.2832 -0.0017 -0.0084 0.0531  113 GLU A OE2 
916 N N   . ALA A 114 ? 1.5041 1.7064 2.0413 0.0527  0.0263  0.1322  114 ALA A N   
917 C CA  . ALA A 114 ? 1.5754 1.7954 2.1190 0.0693  0.0324  0.1534  114 ALA A CA  
918 C C   . ALA A 114 ? 1.6691 1.8750 2.2340 0.0749  0.0518  0.1631  114 ALA A C   
919 O O   . ALA A 114 ? 1.5294 1.7487 2.1028 0.0899  0.0598  0.1825  114 ALA A O   
920 C CB  . ALA A 114 ? 1.4058 1.6327 1.9433 0.0787  0.0355  0.1650  114 ALA A CB  
921 N N   . ILE A 115 ? 1.6450 1.8257 2.2191 0.0634  0.0599  0.1491  115 ILE A N   
922 C CA  . ILE A 115 ? 1.5302 1.6978 2.1245 0.0650  0.0760  0.1523  115 ILE A CA  
923 C C   . ILE A 115 ? 1.3466 1.5083 1.9381 0.0518  0.0677  0.1334  115 ILE A C   
924 O O   . ILE A 115 ? 1.1665 1.3444 1.7515 0.0529  0.0555  0.1345  115 ILE A O   
925 C CB  . ILE A 115 ? 1.5012 1.6442 2.1144 0.0648  0.0989  0.1529  115 ILE A CB  
926 C CG1 . ILE A 115 ? 1.4493 1.5949 2.0621 0.0754  0.1063  0.1683  115 ILE A CG1 
927 C CG2 . ILE A 115 ? 1.5028 1.6350 2.1400 0.0700  0.1185  0.1606  115 ILE A CG2 
928 C CD1 . ILE A 115 ? 1.3158 1.4409 1.9335 0.0662  0.1149  0.1557  115 ILE A CD1 
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