data_9JWD
# 
_entry.id   9JWD 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.399 
_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   9JWD         pdb_00009jwd 10.2210/pdb9jwd/pdb 
WWPDB D_1300051951 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2024-12-04 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9JWD 
_pdbx_database_status.recvd_initial_deposition_date   2024-10-10 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBJ 
_pdbx_database_status.process_site                    PDBJ 
_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              shoaib.hej@gmail.com 
_pdbx_contact_author.name_first         'Malik Shoaib' 
_pdbx_contact_author.name_last          Ahmad 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0003-1739-8302 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Ahmad, M.S.' 1 0000-0003-1739-8302 
'Shah, N.'    2 0009-0007-4152-7422 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Biochem.Biophys.Res.Commun. 
_citation.journal_id_ASTM           BBRCA9 
_citation.journal_id_CSD            0146 
_citation.journal_id_ISSN           1090-2104 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            736 
_citation.language                  ? 
_citation.page_first                150868 
_citation.page_last                 150868 
_citation.title                     
;Cyanide mediated conformational changes resulted in the displacement of sulfate ion from the active site of bovine pancreatic ribonuclease A.
;
_citation.year                      2024 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1016/j.bbrc.2024.150868 
_citation.pdbx_database_id_PubMed   39490154 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Shah, N.'    1 ? 
primary 'Akbar, Z.'   2 ? 
primary 'Ahmad, M.S.' 3 ? 
# 
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     nat 'Ribonuclease pancreatic' 13708.326 1   3.1.27.5 ? ? ? 
2 non-polymer syn 'CYANIDE ION'             26.017    1   ?        ? ? ? 
3 non-polymer syn GLYCEROL                  92.094    1   ?        ? ? ? 
4 non-polymer syn 'CHLORIDE ION'            35.453    3   ?        ? ? ? 
5 non-polymer syn 'SULFATE ION'             96.063    1   ?        ? ? ? 
6 water       nat water                     18.015    102 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'RNase 1,RNase A' 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;KETAAAKFERQHMDSSTSAASSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMS
ITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV
;
_entity_poly.pdbx_seq_one_letter_code_can   
;KETAAAKFERQHMDSSTSAASSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMS
ITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'CYANIDE ION'  CYN 
3 GLYCEROL       GOL 
4 'CHLORIDE ION' CL  
5 'SULFATE ION'  SO4 
6 water          HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   LYS n 
1 2   GLU n 
1 3   THR n 
1 4   ALA n 
1 5   ALA n 
1 6   ALA n 
1 7   LYS n 
1 8   PHE n 
1 9   GLU n 
1 10  ARG n 
1 11  GLN n 
1 12  HIS n 
1 13  MET n 
1 14  ASP n 
1 15  SER n 
1 16  SER n 
1 17  THR n 
1 18  SER n 
1 19  ALA n 
1 20  ALA n 
1 21  SER n 
1 22  SER n 
1 23  SER n 
1 24  ASN n 
1 25  TYR n 
1 26  CYS n 
1 27  ASN n 
1 28  GLN n 
1 29  MET n 
1 30  MET n 
1 31  LYS n 
1 32  SER n 
1 33  ARG n 
1 34  ASN n 
1 35  LEU n 
1 36  THR n 
1 37  LYS n 
1 38  ASP n 
1 39  ARG n 
1 40  CYS n 
1 41  LYS n 
1 42  PRO n 
1 43  VAL n 
1 44  ASN n 
1 45  THR n 
1 46  PHE n 
1 47  VAL n 
1 48  HIS n 
1 49  GLU n 
1 50  SER n 
1 51  LEU n 
1 52  ALA n 
1 53  ASP n 
1 54  VAL n 
1 55  GLN n 
1 56  ALA n 
1 57  VAL n 
1 58  CYS n 
1 59  SER n 
1 60  GLN n 
1 61  LYS n 
1 62  ASN n 
1 63  VAL n 
1 64  ALA n 
1 65  CYS n 
1 66  LYS n 
1 67  ASN n 
1 68  GLY n 
1 69  GLN n 
1 70  THR n 
1 71  ASN n 
1 72  CYS n 
1 73  TYR n 
1 74  GLN n 
1 75  SER n 
1 76  TYR n 
1 77  SER n 
1 78  THR n 
1 79  MET n 
1 80  SER n 
1 81  ILE n 
1 82  THR n 
1 83  ASP n 
1 84  CYS n 
1 85  ARG n 
1 86  GLU n 
1 87  THR n 
1 88  GLY n 
1 89  SER n 
1 90  SER n 
1 91  LYS n 
1 92  TYR n 
1 93  PRO n 
1 94  ASN n 
1 95  CYS n 
1 96  ALA n 
1 97  TYR n 
1 98  LYS n 
1 99  THR n 
1 100 THR n 
1 101 GLN n 
1 102 ALA n 
1 103 ASN n 
1 104 LYS n 
1 105 HIS n 
1 106 ILE n 
1 107 ILE n 
1 108 VAL n 
1 109 ALA n 
1 110 CYS n 
1 111 GLU n 
1 112 GLY n 
1 113 ASN n 
1 114 PRO n 
1 115 TYR n 
1 116 VAL n 
1 117 PRO n 
1 118 VAL n 
1 119 HIS n 
1 120 PHE n 
1 121 ASP n 
1 122 ALA n 
1 123 SER n 
1 124 VAL n 
# 
_entity_src_nat.entity_id                  1 
_entity_src_nat.pdbx_src_id                1 
_entity_src_nat.pdbx_alt_source_flag       sample 
_entity_src_nat.pdbx_beg_seq_num           1 
_entity_src_nat.pdbx_end_seq_num           124 
_entity_src_nat.common_name                'domestic cattle' 
_entity_src_nat.pdbx_organism_scientific   'Bos taurus' 
_entity_src_nat.pdbx_ncbi_taxonomy_id      9913 
_entity_src_nat.genus                      ? 
_entity_src_nat.species                    ? 
_entity_src_nat.strain                     ? 
_entity_src_nat.tissue                     ? 
_entity_src_nat.tissue_fraction            ? 
_entity_src_nat.pdbx_secretion             ? 
_entity_src_nat.pdbx_fragment              ? 
_entity_src_nat.pdbx_variant               ? 
_entity_src_nat.pdbx_cell_line             ? 
_entity_src_nat.pdbx_atcc                  ? 
_entity_src_nat.pdbx_cellular_location     ? 
_entity_src_nat.pdbx_organ                 ? 
_entity_src_nat.pdbx_organelle             ? 
_entity_src_nat.pdbx_cell                  ? 
_entity_src_nat.pdbx_plasmid_name          ? 
_entity_src_nat.pdbx_plasmid_details       ? 
_entity_src_nat.details                    ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE         ?                               'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE        ?                               'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE      ?                               'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID' ?                               'C4 H7 N O4'     133.103 
CL  non-polymer         . 'CHLORIDE ION'  ?                               'Cl -1'          35.453  
CYN non-polymer         . 'CYANIDE ION'   ?                               'C N -1'         26.017  
CYS 'L-peptide linking' y CYSTEINE        ?                               'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE       ?                               'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ?                               'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE         ?                               'C2 H5 N O2'     75.067  
GOL non-polymer         . GLYCEROL        'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3'       92.094  
HIS 'L-peptide linking' y HISTIDINE       ?                               'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER           ?                               'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE      ?                               'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE         ?                               'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE          ?                               'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE      ?                               'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE   ?                               'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE         ?                               'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE          ?                               'C3 H7 N O3'     105.093 
SO4 non-polymer         . 'SULFATE ION'   ?                               'O4 S -2'        96.063  
THR 'L-peptide linking' y THREONINE       ?                               'C4 H9 N O3'     119.119 
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   LYS 1   1   1   LYS LYS A . n 
A 1 2   GLU 2   2   2   GLU GLU A . n 
A 1 3   THR 3   3   3   THR THR A . n 
A 1 4   ALA 4   4   4   ALA ALA A . n 
A 1 5   ALA 5   5   5   ALA ALA A . n 
A 1 6   ALA 6   6   6   ALA ALA A . n 
A 1 7   LYS 7   7   7   LYS LYS A . n 
A 1 8   PHE 8   8   8   PHE PHE A . n 
A 1 9   GLU 9   9   9   GLU GLU A . n 
A 1 10  ARG 10  10  10  ARG ARG A . n 
A 1 11  GLN 11  11  11  GLN GLN A . n 
A 1 12  HIS 12  12  12  HIS HIS A . n 
A 1 13  MET 13  13  13  MET MET A . n 
A 1 14  ASP 14  14  14  ASP ASP A . n 
A 1 15  SER 15  15  15  SER SER A . n 
A 1 16  SER 16  16  16  SER SER A . n 
A 1 17  THR 17  17  17  THR THR A . n 
A 1 18  SER 18  18  18  SER SER A . n 
A 1 19  ALA 19  19  19  ALA ALA A . n 
A 1 20  ALA 20  20  20  ALA ALA A . n 
A 1 21  SER 21  21  21  SER SER A . n 
A 1 22  SER 22  22  22  SER SER A . n 
A 1 23  SER 23  23  23  SER SER A . n 
A 1 24  ASN 24  24  24  ASN ASN A . n 
A 1 25  TYR 25  25  25  TYR TYR A . n 
A 1 26  CYS 26  26  26  CYS CYS A . n 
A 1 27  ASN 27  27  27  ASN ASN A . n 
A 1 28  GLN 28  28  28  GLN GLN A . n 
A 1 29  MET 29  29  29  MET MET A . n 
A 1 30  MET 30  30  30  MET MET A . n 
A 1 31  LYS 31  31  31  LYS LYS A . n 
A 1 32  SER 32  32  32  SER SER A . n 
A 1 33  ARG 33  33  33  ARG ARG A . n 
A 1 34  ASN 34  34  34  ASN ASN A . n 
A 1 35  LEU 35  35  35  LEU LEU A . n 
A 1 36  THR 36  36  36  THR THR A . n 
A 1 37  LYS 37  37  37  LYS LYS A . n 
A 1 38  ASP 38  38  38  ASP ASP A . n 
A 1 39  ARG 39  39  39  ARG ARG A . n 
A 1 40  CYS 40  40  40  CYS CYS A . n 
A 1 41  LYS 41  41  41  LYS LYS A . n 
A 1 42  PRO 42  42  42  PRO PRO A . n 
A 1 43  VAL 43  43  43  VAL VAL A . n 
A 1 44  ASN 44  44  44  ASN ASN A . n 
A 1 45  THR 45  45  45  THR THR A . n 
A 1 46  PHE 46  46  46  PHE PHE A . n 
A 1 47  VAL 47  47  47  VAL VAL A . n 
A 1 48  HIS 48  48  48  HIS HIS A . n 
A 1 49  GLU 49  49  49  GLU GLU A . n 
A 1 50  SER 50  50  50  SER SER A . n 
A 1 51  LEU 51  51  51  LEU LEU A . n 
A 1 52  ALA 52  52  52  ALA ALA A . n 
A 1 53  ASP 53  53  53  ASP ASP A . n 
A 1 54  VAL 54  54  54  VAL VAL A . n 
A 1 55  GLN 55  55  55  GLN GLN A . n 
A 1 56  ALA 56  56  56  ALA ALA A . n 
A 1 57  VAL 57  57  57  VAL VAL A . n 
A 1 58  CYS 58  58  58  CYS CYS A . n 
A 1 59  SER 59  59  59  SER SER A . n 
A 1 60  GLN 60  60  60  GLN GLN A . n 
A 1 61  LYS 61  61  61  LYS LYS A . n 
A 1 62  ASN 62  62  62  ASN ASN A . n 
A 1 63  VAL 63  63  63  VAL VAL A . n 
A 1 64  ALA 64  64  64  ALA ALA A . n 
A 1 65  CYS 65  65  65  CYS CYS A . n 
A 1 66  LYS 66  66  66  LYS LYS A . n 
A 1 67  ASN 67  67  67  ASN ASN A . n 
A 1 68  GLY 68  68  68  GLY GLY A . n 
A 1 69  GLN 69  69  69  GLN GLN A . n 
A 1 70  THR 70  70  70  THR THR A . n 
A 1 71  ASN 71  71  71  ASN ASN A . n 
A 1 72  CYS 72  72  72  CYS CYS A . n 
A 1 73  TYR 73  73  73  TYR TYR A . n 
A 1 74  GLN 74  74  74  GLN GLN A . n 
A 1 75  SER 75  75  75  SER SER A . n 
A 1 76  TYR 76  76  76  TYR TYR A . n 
A 1 77  SER 77  77  77  SER SER A . n 
A 1 78  THR 78  78  78  THR THR A . n 
A 1 79  MET 79  79  79  MET MET A . n 
A 1 80  SER 80  80  80  SER SER A . n 
A 1 81  ILE 81  81  81  ILE ILE A . n 
A 1 82  THR 82  82  82  THR THR A . n 
A 1 83  ASP 83  83  83  ASP ASP A . n 
A 1 84  CYS 84  84  84  CYS CYS A . n 
A 1 85  ARG 85  85  85  ARG ARG A . n 
A 1 86  GLU 86  86  86  GLU GLU A . n 
A 1 87  THR 87  87  87  THR THR A . n 
A 1 88  GLY 88  88  88  GLY GLY A . n 
A 1 89  SER 89  89  89  SER SER A . n 
A 1 90  SER 90  90  90  SER SER A . n 
A 1 91  LYS 91  91  91  LYS LYS A . n 
A 1 92  TYR 92  92  92  TYR TYR A . n 
A 1 93  PRO 93  93  93  PRO PRO A . n 
A 1 94  ASN 94  94  94  ASN ASN A . n 
A 1 95  CYS 95  95  95  CYS CYS A . n 
A 1 96  ALA 96  96  96  ALA ALA A . n 
A 1 97  TYR 97  97  97  TYR TYR A . n 
A 1 98  LYS 98  98  98  LYS LYS A . n 
A 1 99  THR 99  99  99  THR THR A . n 
A 1 100 THR 100 100 100 THR THR A . n 
A 1 101 GLN 101 101 101 GLN GLN A . n 
A 1 102 ALA 102 102 102 ALA ALA A . n 
A 1 103 ASN 103 103 103 ASN ASN A . n 
A 1 104 LYS 104 104 104 LYS LYS A . n 
A 1 105 HIS 105 105 105 HIS HIS A . n 
A 1 106 ILE 106 106 106 ILE ILE A . n 
A 1 107 ILE 107 107 107 ILE ILE A . n 
A 1 108 VAL 108 108 108 VAL VAL A . n 
A 1 109 ALA 109 109 109 ALA ALA A . n 
A 1 110 CYS 110 110 110 CYS CYS A . n 
A 1 111 GLU 111 111 111 GLU GLU A . n 
A 1 112 GLY 112 112 112 GLY GLY A . n 
A 1 113 ASN 113 113 113 ASN ASN A . n 
A 1 114 PRO 114 114 114 PRO PRO A . n 
A 1 115 TYR 115 115 115 TYR TYR A . n 
A 1 116 VAL 116 116 116 VAL VAL A . n 
A 1 117 PRO 117 117 117 PRO PRO A . n 
A 1 118 VAL 118 118 118 VAL VAL A . n 
A 1 119 HIS 119 119 119 HIS HIS A . n 
A 1 120 PHE 120 120 120 PHE PHE A . n 
A 1 121 ASP 121 121 121 ASP ASP A . n 
A 1 122 ALA 122 122 122 ALA ALA A . n 
A 1 123 SER 123 123 123 SER SER A . n 
A 1 124 VAL 124 124 124 VAL VAL A . n 
# 
loop_
_pdbx_entity_instance_feature.ordinal 
_pdbx_entity_instance_feature.comp_id 
_pdbx_entity_instance_feature.asym_id 
_pdbx_entity_instance_feature.seq_num 
_pdbx_entity_instance_feature.auth_comp_id 
_pdbx_entity_instance_feature.auth_asym_id 
_pdbx_entity_instance_feature.auth_seq_num 
_pdbx_entity_instance_feature.feature_type 
_pdbx_entity_instance_feature.details 
1 CYN ? ? CYN ? ? 'SUBJECT OF INVESTIGATION' ? 
2 SO4 ? ? SO4 ? ? 'SUBJECT OF INVESTIGATION' ? 
# 
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 CYN 1   201 202 CYN CYN A . 
C 3 GOL 1   202 203 GOL GOL A . 
D 4 CL  1   203 2   CL  CL  A . 
E 4 CL  1   204 3   CL  CL  A . 
F 4 CL  1   205 4   CL  CL  A . 
G 5 SO4 1   206 1   SO4 SO4 A . 
H 6 HOH 1   301 54  HOH HOH A . 
H 6 HOH 2   302 90  HOH HOH A . 
H 6 HOH 3   303 44  HOH HOH A . 
H 6 HOH 4   304 37  HOH HOH A . 
H 6 HOH 5   305 82  HOH HOH A . 
H 6 HOH 6   306 75  HOH HOH A . 
H 6 HOH 7   307 61  HOH HOH A . 
H 6 HOH 8   308 71  HOH HOH A . 
H 6 HOH 9   309 27  HOH HOH A . 
H 6 HOH 10  310 97  HOH HOH A . 
H 6 HOH 11  311 85  HOH HOH A . 
H 6 HOH 12  312 104 HOH HOH A . 
H 6 HOH 13  313 17  HOH HOH A . 
H 6 HOH 14  314 102 HOH HOH A . 
H 6 HOH 15  315 13  HOH HOH A . 
H 6 HOH 16  316 74  HOH HOH A . 
H 6 HOH 17  317 81  HOH HOH A . 
H 6 HOH 18  318 28  HOH HOH A . 
H 6 HOH 19  319 93  HOH HOH A . 
H 6 HOH 20  320 72  HOH HOH A . 
H 6 HOH 21  321 58  HOH HOH A . 
H 6 HOH 22  322 109 HOH HOH A . 
H 6 HOH 23  323 26  HOH HOH A . 
H 6 HOH 24  324 25  HOH HOH A . 
H 6 HOH 25  325 21  HOH HOH A . 
H 6 HOH 26  326 57  HOH HOH A . 
H 6 HOH 27  327 76  HOH HOH A . 
H 6 HOH 28  328 62  HOH HOH A . 
H 6 HOH 29  329 42  HOH HOH A . 
H 6 HOH 30  330 31  HOH HOH A . 
H 6 HOH 31  331 18  HOH HOH A . 
H 6 HOH 32  332 29  HOH HOH A . 
H 6 HOH 33  333 66  HOH HOH A . 
H 6 HOH 34  334 70  HOH HOH A . 
H 6 HOH 35  335 91  HOH HOH A . 
H 6 HOH 36  336 63  HOH HOH A . 
H 6 HOH 37  337 67  HOH HOH A . 
H 6 HOH 38  338 55  HOH HOH A . 
H 6 HOH 39  339 100 HOH HOH A . 
H 6 HOH 40  340 108 HOH HOH A . 
H 6 HOH 41  341 33  HOH HOH A . 
H 6 HOH 42  342 23  HOH HOH A . 
H 6 HOH 43  343 11  HOH HOH A . 
H 6 HOH 44  344 24  HOH HOH A . 
H 6 HOH 45  345 98  HOH HOH A . 
H 6 HOH 46  346 45  HOH HOH A . 
H 6 HOH 47  347 8   HOH HOH A . 
H 6 HOH 48  348 39  HOH HOH A . 
H 6 HOH 49  349 107 HOH HOH A . 
H 6 HOH 50  350 16  HOH HOH A . 
H 6 HOH 51  351 36  HOH HOH A . 
H 6 HOH 52  352 7   HOH HOH A . 
H 6 HOH 53  353 50  HOH HOH A . 
H 6 HOH 54  354 78  HOH HOH A . 
H 6 HOH 55  355 19  HOH HOH A . 
H 6 HOH 56  356 99  HOH HOH A . 
H 6 HOH 57  357 3   HOH HOH A . 
H 6 HOH 58  358 60  HOH HOH A . 
H 6 HOH 59  359 65  HOH HOH A . 
H 6 HOH 60  360 14  HOH HOH A . 
H 6 HOH 61  361 35  HOH HOH A . 
H 6 HOH 62  362 10  HOH HOH A . 
H 6 HOH 63  363 4   HOH HOH A . 
H 6 HOH 64  364 51  HOH HOH A . 
H 6 HOH 65  365 5   HOH HOH A . 
H 6 HOH 66  366 9   HOH HOH A . 
H 6 HOH 67  367 88  HOH HOH A . 
H 6 HOH 68  368 20  HOH HOH A . 
H 6 HOH 69  369 34  HOH HOH A . 
H 6 HOH 70  370 56  HOH HOH A . 
H 6 HOH 71  371 15  HOH HOH A . 
H 6 HOH 72  372 43  HOH HOH A . 
H 6 HOH 73  373 53  HOH HOH A . 
H 6 HOH 74  374 113 HOH HOH A . 
H 6 HOH 75  375 115 HOH HOH A . 
H 6 HOH 76  376 6   HOH HOH A . 
H 6 HOH 77  377 112 HOH HOH A . 
H 6 HOH 78  378 111 HOH HOH A . 
H 6 HOH 79  379 73  HOH HOH A . 
H 6 HOH 80  380 46  HOH HOH A . 
H 6 HOH 81  381 83  HOH HOH A . 
H 6 HOH 82  382 52  HOH HOH A . 
H 6 HOH 83  383 22  HOH HOH A . 
H 6 HOH 84  384 41  HOH HOH A . 
H 6 HOH 85  385 47  HOH HOH A . 
H 6 HOH 86  386 95  HOH HOH A . 
H 6 HOH 87  387 32  HOH HOH A . 
H 6 HOH 88  388 86  HOH HOH A . 
H 6 HOH 89  389 49  HOH HOH A . 
H 6 HOH 90  390 114 HOH HOH A . 
H 6 HOH 91  391 89  HOH HOH A . 
H 6 HOH 92  392 30  HOH HOH A . 
H 6 HOH 93  393 116 HOH HOH A . 
H 6 HOH 94  394 105 HOH HOH A . 
H 6 HOH 95  395 106 HOH HOH A . 
H 6 HOH 96  396 103 HOH HOH A . 
H 6 HOH 97  397 87  HOH HOH A . 
H 6 HOH 98  398 64  HOH HOH A . 
H 6 HOH 99  399 94  HOH HOH A . 
H 6 HOH 100 400 80  HOH HOH A . 
H 6 HOH 101 401 110 HOH HOH A . 
H 6 HOH 102 402 79  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         ? ? ? 5.8.0267 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? 'PROTEUM PLUS' ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless        ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? MOLREP         ? ? ? .        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                     9JWD 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     64.329 
_cell.length_a_esd                 ? 
_cell.length_b                     64.329 
_cell.length_b_esd                 ? 
_cell.length_c                     64.102 
_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                         9JWD 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                154 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 32 2 1' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9JWD 
_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             2.79 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          55.96 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              5.5 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    
;0.1M sodium acetate buffer pH 5.5. reservoir solution containing 24-34% (NH4)2SO4, 0.1M sodium acetate buffer pH 5.5, and super-saturated solution of NaCl.
;
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            292 
# 
_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                     CMOS 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'BRUKER PHOTON 100' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-03-13 
_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                    Ni 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.5406 
_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                      'SEALED TUBE' 
_diffrn_source.target                      ? 
_diffrn_source.type                        'BRUKER D8 QUEST' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.5406 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_synchrotron_site       ? 
# 
_reflns.B_iso_Wilson_estimate                          16 
_reflns.entry_id                                       9JWD 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.22 
_reflns.d_resolution_low                               22.71 
_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                                     7822 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.3 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                10.5 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          1.44 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.96 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    2.22 
_reflns_shell.d_res_low                                     2.22 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             683 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               0.521 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  ? 
_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                                  ? 
_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]                            0.01 
_refine.aniso_B[1][2]                            0.00 
_refine.aniso_B[1][3]                            0.00 
_refine.aniso_B[2][2]                            0.01 
_refine.aniso_B[2][3]                            -0.00 
_refine.aniso_B[3][3]                            -0.02 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               15.002 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.920 
_refine.correlation_coeff_Fo_to_Fc_free          0.838 
_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                                 9JWD 
_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                            2.22 
_refine.ls_d_res_low                             22.71 
_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                     7462 
_refine.ls_number_reflns_R_free                  342 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.38 
_refine.ls_percent_reflns_R_free                 4.4 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.20340 
_refine.ls_R_factor_R_free                       0.25752 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.20091 
_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                      1EIC 
_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                       0.260 
_refine.pdbx_overall_ESU_R_Free                  0.219 
_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                             7.121 
_refine.overall_SU_ML                            0.170 
_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                       2.22 
_refine_hist.d_res_low                        22.71 
_refine_hist.number_atoms_solvent             102 
_refine_hist.number_atoms_total               1069 
_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        951 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         16 
_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  0.013  981  ? r_bond_refined_d             ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.018  876  ? r_bond_other_d               ? ? 
'X-RAY DIFFRACTION' ? 1.517  1.654  1325 ? r_angle_refined_deg          ? ? 
'X-RAY DIFFRACTION' ? 1.317  1.587  2029 ? r_angle_other_deg            ? ? 
'X-RAY DIFFRACTION' ? 7.799  5.000  123  ? r_dihedral_angle_1_deg       ? ? 
'X-RAY DIFFRACTION' ? 36.531 23.958 48   ? r_dihedral_angle_2_deg       ? ? 
'X-RAY DIFFRACTION' ? 15.706 15.000 168  ? r_dihedral_angle_3_deg       ? ? 
'X-RAY DIFFRACTION' ? 18.857 15.000 4    ? r_dihedral_angle_4_deg       ? ? 
'X-RAY DIFFRACTION' ? 0.066  0.200  134  ? r_chiral_restr               ? ? 
'X-RAY DIFFRACTION' ? 0.006  0.020  1128 ? r_gen_planes_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  220  ? 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' ? 1.252  1.499  496  ? r_mcbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 1.254  1.498  494  ? r_mcbond_other               ? ? 
'X-RAY DIFFRACTION' ? 2.197  2.244  617  ? r_mcangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 2.195  2.244  618  ? r_mcangle_other              ? ? 
'X-RAY DIFFRACTION' ? 1.328  1.655  484  ? r_scbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 1.295  1.634  481  ? r_scbond_other               ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_scangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 2.245  2.381  703  ? r_scangle_other              ? ? 
'X-RAY DIFFRACTION' ? 4.741  18.459 1124 ? r_long_range_B_refined       ? ? 
'X-RAY DIFFRACTION' ? 4.436  18.431 1115 ? 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                       2.224 
_refine_ls_shell.d_res_low                        2.281 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             17 
_refine_ls_shell.number_reflns_R_work             504 
_refine_ls_shell.percent_reflns_obs               93.20 
_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                  0.294 
_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   20 
_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                  0.338 
# 
_struct.entry_id                     9JWD 
_struct.title                        'Crystal structure of RNAs A treated with sodium cyanide' 
_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        9JWD 
_struct_keywords.text            HYDROLASE 
_struct_keywords.pdbx_keywords   HYDROLASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 4 ? 
F N N 4 ? 
G N N 5 ? 
H N N 6 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    RNAS1_BOVIN 
_struct_ref.pdbx_db_accession          P61823 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;KETAAAKFERQHMDSSTSAASSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMS
ITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV
;
_struct_ref.pdbx_align_begin           27 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9JWD 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 124 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P61823 
_struct_ref_seq.db_align_beg                  27 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  150 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       1 
_struct_ref_seq.pdbx_auth_seq_align_end       124 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G,H 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 THR A 3  ? MET A 13 ? THR A 3  MET A 13 1 ? 11 
HELX_P HELX_P2 AA2 ASN A 24 ? ARG A 33 ? ASN A 24 ARG A 33 1 ? 10 
HELX_P HELX_P3 AA3 SER A 50 ? VAL A 57 ? SER A 50 VAL A 57 1 ? 8  
HELX_P HELX_P4 AA4 CYS A 58 ? GLN A 60 ? CYS A 58 GLN A 60 5 ? 3  
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
disulf1 disulf ? ? A CYS 26 SG ? ? ? 1_555 A CYS 84  SG ? ? A CYS 26 A CYS 84  1_555 ? ? ? ? ? ? ? 2.025 ? ? 
disulf2 disulf ? ? A CYS 40 SG ? ? ? 1_555 A CYS 95  SG ? ? A CYS 40 A CYS 95  1_555 ? ? ? ? ? ? ? 2.000 ? ? 
disulf3 disulf ? ? A CYS 58 SG ? ? ? 1_555 A CYS 110 SG ? ? A CYS 58 A CYS 110 1_555 ? ? ? ? ? ? ? 2.032 ? ? 
disulf4 disulf ? ? A CYS 65 SG ? ? ? 1_555 A CYS 72  SG ? ? A CYS 65 A CYS 72  1_555 ? ? ? ? ? ? ? 2.004 ? ? 
# 
_struct_conn_type.id          disulf 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 CYS A 26 ? CYS A 84  ? CYS A 26 ? 1_555 CYS A 84  ? 1_555 SG SG . . . None 'Disulfide bridge' 
2 CYS A 40 ? CYS A 95  ? CYS A 40 ? 1_555 CYS A 95  ? 1_555 SG SG . . . None 'Disulfide bridge' 
3 CYS A 58 ? CYS A 110 ? CYS A 58 ? 1_555 CYS A 110 ? 1_555 SG SG . . . None 'Disulfide bridge' 
4 CYS A 65 ? CYS A 72  ? CYS A 65 ? 1_555 CYS A 72  ? 1_555 SG SG . . . None 'Disulfide bridge' 
# 
loop_
_struct_mon_prot_cis.pdbx_id 
_struct_mon_prot_cis.label_comp_id 
_struct_mon_prot_cis.label_seq_id 
_struct_mon_prot_cis.label_asym_id 
_struct_mon_prot_cis.label_alt_id 
_struct_mon_prot_cis.pdbx_PDB_ins_code 
_struct_mon_prot_cis.auth_comp_id 
_struct_mon_prot_cis.auth_seq_id 
_struct_mon_prot_cis.auth_asym_id 
_struct_mon_prot_cis.pdbx_label_comp_id_2 
_struct_mon_prot_cis.pdbx_label_seq_id_2 
_struct_mon_prot_cis.pdbx_label_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2 
_struct_mon_prot_cis.pdbx_auth_comp_id_2 
_struct_mon_prot_cis.pdbx_auth_seq_id_2 
_struct_mon_prot_cis.pdbx_auth_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_model_num 
_struct_mon_prot_cis.pdbx_omega_angle 
1 TYR 92  A . ? TYR 92  A PRO 93  A ? PRO 93  A 1 6.59 
2 ASN 113 A . ? ASN 113 A PRO 114 A ? PRO 114 A 1 6.83 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 3 ? 
AA2 ? 4 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 VAL A 43  ? VAL A 47  ? VAL A 43  VAL A 47  
AA1 2 MET A 79  ? GLU A 86  ? MET A 79  GLU A 86  
AA1 3 TYR A 97  ? LYS A 104 ? TYR A 97  LYS A 104 
AA2 1 LYS A 61  ? VAL A 63  ? LYS A 61  VAL A 63  
AA2 2 CYS A 72  ? GLN A 74  ? CYS A 72  GLN A 74  
AA2 3 ILE A 106 ? GLU A 111 ? ILE A 106 GLU A 111 
AA2 4 VAL A 116 ? SER A 123 ? VAL A 116 SER A 123 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N ASN A 44  ? N ASN A 44  O CYS A 84  ? O CYS A 84  
AA1 2 3 N ARG A 85  ? N ARG A 85  O LYS A 98  ? O LYS A 98  
AA2 1 2 N LYS A 61  ? N LYS A 61  O GLN A 74  ? O GLN A 74  
AA2 2 3 N TYR A 73  ? N TYR A 73  O VAL A 108 ? O VAL A 108 
AA2 3 4 N ALA A 109 ? N ALA A 109 O VAL A 118 ? O VAL A 118 
# 
_pdbx_entry_details.entry_id                   9JWD 
_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 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 O A HOH 301 ? ? O A HOH 378 ? ? 2.00 
2 1 O A HOH 367 ? ? O A HOH 385 ? ? 2.03 
3 1 O A HOH 354 ? ? O A HOH 378 ? ? 2.14 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 LYS A 37 ? ? -69.45  -70.66  
2 1 GLN A 60 ? ? -95.48  -140.08 
3 1 ASN A 94 ? ? -106.15 77.31   
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    A 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     390 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   H 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
_pdbx_distant_solvent_atoms.id                                1 
_pdbx_distant_solvent_atoms.PDB_model_num                     1 
_pdbx_distant_solvent_atoms.auth_atom_id                      O 
_pdbx_distant_solvent_atoms.label_alt_id                      ? 
_pdbx_distant_solvent_atoms.auth_asym_id                      A 
_pdbx_distant_solvent_atoms.auth_comp_id                      HOH 
_pdbx_distant_solvent_atoms.auth_seq_id                       402 
_pdbx_distant_solvent_atoms.PDB_ins_code                      ? 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance   7.37 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance          . 
# 
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  
CL  CL   CL N N 74  
CYN C    C  N N 75  
CYN N    N  N N 76  
CYS N    N  N N 77  
CYS CA   C  N R 78  
CYS C    C  N N 79  
CYS O    O  N N 80  
CYS CB   C  N N 81  
CYS SG   S  N N 82  
CYS OXT  O  N N 83  
CYS H    H  N N 84  
CYS H2   H  N N 85  
CYS HA   H  N N 86  
CYS HB2  H  N N 87  
CYS HB3  H  N N 88  
CYS HG   H  N N 89  
CYS HXT  H  N N 90  
GLN N    N  N N 91  
GLN CA   C  N S 92  
GLN C    C  N N 93  
GLN O    O  N N 94  
GLN CB   C  N N 95  
GLN CG   C  N N 96  
GLN CD   C  N N 97  
GLN OE1  O  N N 98  
GLN NE2  N  N N 99  
GLN OXT  O  N N 100 
GLN H    H  N N 101 
GLN H2   H  N N 102 
GLN HA   H  N N 103 
GLN HB2  H  N N 104 
GLN HB3  H  N N 105 
GLN HG2  H  N N 106 
GLN HG3  H  N N 107 
GLN HE21 H  N N 108 
GLN HE22 H  N N 109 
GLN HXT  H  N N 110 
GLU N    N  N N 111 
GLU CA   C  N S 112 
GLU C    C  N N 113 
GLU O    O  N N 114 
GLU CB   C  N N 115 
GLU CG   C  N N 116 
GLU CD   C  N N 117 
GLU OE1  O  N N 118 
GLU OE2  O  N N 119 
GLU OXT  O  N N 120 
GLU H    H  N N 121 
GLU H2   H  N N 122 
GLU HA   H  N N 123 
GLU HB2  H  N N 124 
GLU HB3  H  N N 125 
GLU HG2  H  N N 126 
GLU HG3  H  N N 127 
GLU HE2  H  N N 128 
GLU HXT  H  N N 129 
GLY N    N  N N 130 
GLY CA   C  N N 131 
GLY C    C  N N 132 
GLY O    O  N N 133 
GLY OXT  O  N N 134 
GLY H    H  N N 135 
GLY H2   H  N N 136 
GLY HA2  H  N N 137 
GLY HA3  H  N N 138 
GLY HXT  H  N N 139 
GOL C1   C  N N 140 
GOL O1   O  N N 141 
GOL C2   C  N N 142 
GOL O2   O  N N 143 
GOL C3   C  N N 144 
GOL O3   O  N N 145 
GOL H11  H  N N 146 
GOL H12  H  N N 147 
GOL HO1  H  N N 148 
GOL H2   H  N N 149 
GOL HO2  H  N N 150 
GOL H31  H  N N 151 
GOL H32  H  N N 152 
GOL HO3  H  N N 153 
HIS N    N  N N 154 
HIS CA   C  N S 155 
HIS C    C  N N 156 
HIS O    O  N N 157 
HIS CB   C  N N 158 
HIS CG   C  Y N 159 
HIS ND1  N  Y N 160 
HIS CD2  C  Y N 161 
HIS CE1  C  Y N 162 
HIS NE2  N  Y N 163 
HIS OXT  O  N N 164 
HIS H    H  N N 165 
HIS H2   H  N N 166 
HIS HA   H  N N 167 
HIS HB2  H  N N 168 
HIS HB3  H  N N 169 
HIS HD1  H  N N 170 
HIS HD2  H  N N 171 
HIS HE1  H  N N 172 
HIS HE2  H  N N 173 
HIS HXT  H  N N 174 
HOH O    O  N N 175 
HOH H1   H  N N 176 
HOH H2   H  N N 177 
ILE N    N  N N 178 
ILE CA   C  N S 179 
ILE C    C  N N 180 
ILE O    O  N N 181 
ILE CB   C  N S 182 
ILE CG1  C  N N 183 
ILE CG2  C  N N 184 
ILE CD1  C  N N 185 
ILE OXT  O  N N 186 
ILE H    H  N N 187 
ILE H2   H  N N 188 
ILE HA   H  N N 189 
ILE HB   H  N N 190 
ILE HG12 H  N N 191 
ILE HG13 H  N N 192 
ILE HG21 H  N N 193 
ILE HG22 H  N N 194 
ILE HG23 H  N N 195 
ILE HD11 H  N N 196 
ILE HD12 H  N N 197 
ILE HD13 H  N N 198 
ILE HXT  H  N N 199 
LEU N    N  N N 200 
LEU CA   C  N S 201 
LEU C    C  N N 202 
LEU O    O  N N 203 
LEU CB   C  N N 204 
LEU CG   C  N N 205 
LEU CD1  C  N N 206 
LEU CD2  C  N N 207 
LEU OXT  O  N N 208 
LEU H    H  N N 209 
LEU H2   H  N N 210 
LEU HA   H  N N 211 
LEU HB2  H  N N 212 
LEU HB3  H  N N 213 
LEU HG   H  N N 214 
LEU HD11 H  N N 215 
LEU HD12 H  N N 216 
LEU HD13 H  N N 217 
LEU HD21 H  N N 218 
LEU HD22 H  N N 219 
LEU HD23 H  N N 220 
LEU HXT  H  N N 221 
LYS N    N  N N 222 
LYS CA   C  N S 223 
LYS C    C  N N 224 
LYS O    O  N N 225 
LYS CB   C  N N 226 
LYS CG   C  N N 227 
LYS CD   C  N N 228 
LYS CE   C  N N 229 
LYS NZ   N  N N 230 
LYS OXT  O  N N 231 
LYS H    H  N N 232 
LYS H2   H  N N 233 
LYS HA   H  N N 234 
LYS HB2  H  N N 235 
LYS HB3  H  N N 236 
LYS HG2  H  N N 237 
LYS HG3  H  N N 238 
LYS HD2  H  N N 239 
LYS HD3  H  N N 240 
LYS HE2  H  N N 241 
LYS HE3  H  N N 242 
LYS HZ1  H  N N 243 
LYS HZ2  H  N N 244 
LYS HZ3  H  N N 245 
LYS HXT  H  N N 246 
MET N    N  N N 247 
MET CA   C  N S 248 
MET C    C  N N 249 
MET O    O  N N 250 
MET CB   C  N N 251 
MET CG   C  N N 252 
MET SD   S  N N 253 
MET CE   C  N N 254 
MET OXT  O  N N 255 
MET H    H  N N 256 
MET H2   H  N N 257 
MET HA   H  N N 258 
MET HB2  H  N N 259 
MET HB3  H  N N 260 
MET HG2  H  N N 261 
MET HG3  H  N N 262 
MET HE1  H  N N 263 
MET HE2  H  N N 264 
MET HE3  H  N N 265 
MET HXT  H  N N 266 
PHE N    N  N N 267 
PHE CA   C  N S 268 
PHE C    C  N N 269 
PHE O    O  N N 270 
PHE CB   C  N N 271 
PHE CG   C  Y N 272 
PHE CD1  C  Y N 273 
PHE CD2  C  Y N 274 
PHE CE1  C  Y N 275 
PHE CE2  C  Y N 276 
PHE CZ   C  Y N 277 
PHE OXT  O  N N 278 
PHE H    H  N N 279 
PHE H2   H  N N 280 
PHE HA   H  N N 281 
PHE HB2  H  N N 282 
PHE HB3  H  N N 283 
PHE HD1  H  N N 284 
PHE HD2  H  N N 285 
PHE HE1  H  N N 286 
PHE HE2  H  N N 287 
PHE HZ   H  N N 288 
PHE HXT  H  N N 289 
PRO N    N  N N 290 
PRO CA   C  N S 291 
PRO C    C  N N 292 
PRO O    O  N N 293 
PRO CB   C  N N 294 
PRO CG   C  N N 295 
PRO CD   C  N N 296 
PRO OXT  O  N N 297 
PRO H    H  N N 298 
PRO HA   H  N N 299 
PRO HB2  H  N N 300 
PRO HB3  H  N N 301 
PRO HG2  H  N N 302 
PRO HG3  H  N N 303 
PRO HD2  H  N N 304 
PRO HD3  H  N N 305 
PRO HXT  H  N N 306 
SER N    N  N N 307 
SER CA   C  N S 308 
SER C    C  N N 309 
SER O    O  N N 310 
SER CB   C  N N 311 
SER OG   O  N N 312 
SER OXT  O  N N 313 
SER H    H  N N 314 
SER H2   H  N N 315 
SER HA   H  N N 316 
SER HB2  H  N N 317 
SER HB3  H  N N 318 
SER HG   H  N N 319 
SER HXT  H  N N 320 
SO4 S    S  N N 321 
SO4 O1   O  N N 322 
SO4 O2   O  N N 323 
SO4 O3   O  N N 324 
SO4 O4   O  N N 325 
THR N    N  N N 326 
THR CA   C  N S 327 
THR C    C  N N 328 
THR O    O  N N 329 
THR CB   C  N R 330 
THR OG1  O  N N 331 
THR CG2  C  N N 332 
THR OXT  O  N N 333 
THR H    H  N N 334 
THR H2   H  N N 335 
THR HA   H  N N 336 
THR HB   H  N N 337 
THR HG1  H  N N 338 
THR HG21 H  N N 339 
THR HG22 H  N N 340 
THR HG23 H  N N 341 
THR HXT  H  N N 342 
TYR N    N  N N 343 
TYR CA   C  N S 344 
TYR C    C  N N 345 
TYR O    O  N N 346 
TYR CB   C  N N 347 
TYR CG   C  Y N 348 
TYR CD1  C  Y N 349 
TYR CD2  C  Y N 350 
TYR CE1  C  Y N 351 
TYR CE2  C  Y N 352 
TYR CZ   C  Y N 353 
TYR OH   O  N N 354 
TYR OXT  O  N N 355 
TYR H    H  N N 356 
TYR H2   H  N N 357 
TYR HA   H  N N 358 
TYR HB2  H  N N 359 
TYR HB3  H  N N 360 
TYR HD1  H  N N 361 
TYR HD2  H  N N 362 
TYR HE1  H  N N 363 
TYR HE2  H  N N 364 
TYR HH   H  N N 365 
TYR HXT  H  N N 366 
VAL N    N  N N 367 
VAL CA   C  N S 368 
VAL C    C  N N 369 
VAL O    O  N N 370 
VAL CB   C  N N 371 
VAL CG1  C  N N 372 
VAL CG2  C  N N 373 
VAL OXT  O  N N 374 
VAL H    H  N N 375 
VAL H2   H  N N 376 
VAL HA   H  N N 377 
VAL HB   H  N N 378 
VAL HG11 H  N N 379 
VAL HG12 H  N N 380 
VAL HG13 H  N N 381 
VAL HG21 H  N N 382 
VAL HG22 H  N N 383 
VAL HG23 H  N N 384 
VAL HXT  H  N N 385 
# 
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  
CYN C   N    trip N N 70  
CYS N   CA   sing N N 71  
CYS N   H    sing N N 72  
CYS N   H2   sing N N 73  
CYS CA  C    sing N N 74  
CYS CA  CB   sing N N 75  
CYS CA  HA   sing N N 76  
CYS C   O    doub N N 77  
CYS C   OXT  sing N N 78  
CYS CB  SG   sing N N 79  
CYS CB  HB2  sing N N 80  
CYS CB  HB3  sing N N 81  
CYS SG  HG   sing N N 82  
CYS OXT HXT  sing N N 83  
GLN N   CA   sing N N 84  
GLN N   H    sing N N 85  
GLN N   H2   sing N N 86  
GLN CA  C    sing N N 87  
GLN CA  CB   sing N N 88  
GLN CA  HA   sing N N 89  
GLN C   O    doub N N 90  
GLN C   OXT  sing N N 91  
GLN CB  CG   sing N N 92  
GLN CB  HB2  sing N N 93  
GLN CB  HB3  sing N N 94  
GLN CG  CD   sing N N 95  
GLN CG  HG2  sing N N 96  
GLN CG  HG3  sing N N 97  
GLN CD  OE1  doub N N 98  
GLN CD  NE2  sing N N 99  
GLN NE2 HE21 sing N N 100 
GLN NE2 HE22 sing N N 101 
GLN OXT HXT  sing N N 102 
GLU N   CA   sing N N 103 
GLU N   H    sing N N 104 
GLU N   H2   sing N N 105 
GLU CA  C    sing N N 106 
GLU CA  CB   sing N N 107 
GLU CA  HA   sing N N 108 
GLU C   O    doub N N 109 
GLU C   OXT  sing N N 110 
GLU CB  CG   sing N N 111 
GLU CB  HB2  sing N N 112 
GLU CB  HB3  sing N N 113 
GLU CG  CD   sing N N 114 
GLU CG  HG2  sing N N 115 
GLU CG  HG3  sing N N 116 
GLU CD  OE1  doub N N 117 
GLU CD  OE2  sing N N 118 
GLU OE2 HE2  sing N N 119 
GLU OXT HXT  sing N N 120 
GLY N   CA   sing N N 121 
GLY N   H    sing N N 122 
GLY N   H2   sing N N 123 
GLY CA  C    sing N N 124 
GLY CA  HA2  sing N N 125 
GLY CA  HA3  sing N N 126 
GLY C   O    doub N N 127 
GLY C   OXT  sing N N 128 
GLY OXT HXT  sing N N 129 
GOL C1  O1   sing N N 130 
GOL C1  C2   sing N N 131 
GOL C1  H11  sing N N 132 
GOL C1  H12  sing N N 133 
GOL O1  HO1  sing N N 134 
GOL C2  O2   sing N N 135 
GOL C2  C3   sing N N 136 
GOL C2  H2   sing N N 137 
GOL O2  HO2  sing N N 138 
GOL C3  O3   sing N N 139 
GOL C3  H31  sing N N 140 
GOL C3  H32  sing N N 141 
GOL O3  HO3  sing N N 142 
HIS N   CA   sing N N 143 
HIS N   H    sing N N 144 
HIS N   H2   sing N N 145 
HIS CA  C    sing N N 146 
HIS CA  CB   sing N N 147 
HIS CA  HA   sing N N 148 
HIS C   O    doub N N 149 
HIS C   OXT  sing N N 150 
HIS CB  CG   sing N N 151 
HIS CB  HB2  sing N N 152 
HIS CB  HB3  sing N N 153 
HIS CG  ND1  sing Y N 154 
HIS CG  CD2  doub Y N 155 
HIS ND1 CE1  doub Y N 156 
HIS ND1 HD1  sing N N 157 
HIS CD2 NE2  sing Y N 158 
HIS CD2 HD2  sing N N 159 
HIS CE1 NE2  sing Y N 160 
HIS CE1 HE1  sing N N 161 
HIS NE2 HE2  sing N N 162 
HIS OXT HXT  sing N N 163 
HOH O   H1   sing N N 164 
HOH O   H2   sing N N 165 
ILE N   CA   sing N N 166 
ILE N   H    sing N N 167 
ILE N   H2   sing N N 168 
ILE CA  C    sing N N 169 
ILE CA  CB   sing N N 170 
ILE CA  HA   sing N N 171 
ILE C   O    doub N N 172 
ILE C   OXT  sing N N 173 
ILE CB  CG1  sing N N 174 
ILE CB  CG2  sing N N 175 
ILE CB  HB   sing N N 176 
ILE CG1 CD1  sing N N 177 
ILE CG1 HG12 sing N N 178 
ILE CG1 HG13 sing N N 179 
ILE CG2 HG21 sing N N 180 
ILE CG2 HG22 sing N N 181 
ILE CG2 HG23 sing N N 182 
ILE CD1 HD11 sing N N 183 
ILE CD1 HD12 sing N N 184 
ILE CD1 HD13 sing N N 185 
ILE OXT HXT  sing N N 186 
LEU N   CA   sing N N 187 
LEU N   H    sing N N 188 
LEU N   H2   sing N N 189 
LEU CA  C    sing N N 190 
LEU CA  CB   sing N N 191 
LEU CA  HA   sing N N 192 
LEU C   O    doub N N 193 
LEU C   OXT  sing N N 194 
LEU CB  CG   sing N N 195 
LEU CB  HB2  sing N N 196 
LEU CB  HB3  sing N N 197 
LEU CG  CD1  sing N N 198 
LEU CG  CD2  sing N N 199 
LEU CG  HG   sing N N 200 
LEU CD1 HD11 sing N N 201 
LEU CD1 HD12 sing N N 202 
LEU CD1 HD13 sing N N 203 
LEU CD2 HD21 sing N N 204 
LEU CD2 HD22 sing N N 205 
LEU CD2 HD23 sing N N 206 
LEU OXT HXT  sing N N 207 
LYS N   CA   sing N N 208 
LYS N   H    sing N N 209 
LYS N   H2   sing N N 210 
LYS CA  C    sing N N 211 
LYS CA  CB   sing N N 212 
LYS CA  HA   sing N N 213 
LYS C   O    doub N N 214 
LYS C   OXT  sing N N 215 
LYS CB  CG   sing N N 216 
LYS CB  HB2  sing N N 217 
LYS CB  HB3  sing N N 218 
LYS CG  CD   sing N N 219 
LYS CG  HG2  sing N N 220 
LYS CG  HG3  sing N N 221 
LYS CD  CE   sing N N 222 
LYS CD  HD2  sing N N 223 
LYS CD  HD3  sing N N 224 
LYS CE  NZ   sing N N 225 
LYS CE  HE2  sing N N 226 
LYS CE  HE3  sing N N 227 
LYS NZ  HZ1  sing N N 228 
LYS NZ  HZ2  sing N N 229 
LYS NZ  HZ3  sing N N 230 
LYS OXT HXT  sing N N 231 
MET N   CA   sing N N 232 
MET N   H    sing N N 233 
MET N   H2   sing N N 234 
MET CA  C    sing N N 235 
MET CA  CB   sing N N 236 
MET CA  HA   sing N N 237 
MET C   O    doub N N 238 
MET C   OXT  sing N N 239 
MET CB  CG   sing N N 240 
MET CB  HB2  sing N N 241 
MET CB  HB3  sing N N 242 
MET CG  SD   sing N N 243 
MET CG  HG2  sing N N 244 
MET CG  HG3  sing N N 245 
MET SD  CE   sing N N 246 
MET CE  HE1  sing N N 247 
MET CE  HE2  sing N N 248 
MET CE  HE3  sing N N 249 
MET OXT HXT  sing N N 250 
PHE N   CA   sing N N 251 
PHE N   H    sing N N 252 
PHE N   H2   sing N N 253 
PHE CA  C    sing N N 254 
PHE CA  CB   sing N N 255 
PHE CA  HA   sing N N 256 
PHE C   O    doub N N 257 
PHE C   OXT  sing N N 258 
PHE CB  CG   sing N N 259 
PHE CB  HB2  sing N N 260 
PHE CB  HB3  sing N N 261 
PHE CG  CD1  doub Y N 262 
PHE CG  CD2  sing Y N 263 
PHE CD1 CE1  sing Y N 264 
PHE CD1 HD1  sing N N 265 
PHE CD2 CE2  doub Y N 266 
PHE CD2 HD2  sing N N 267 
PHE CE1 CZ   doub Y N 268 
PHE CE1 HE1  sing N N 269 
PHE CE2 CZ   sing Y N 270 
PHE CE2 HE2  sing N N 271 
PHE CZ  HZ   sing N N 272 
PHE OXT HXT  sing N N 273 
PRO N   CA   sing N N 274 
PRO N   CD   sing N N 275 
PRO N   H    sing N N 276 
PRO CA  C    sing N N 277 
PRO CA  CB   sing N N 278 
PRO CA  HA   sing N N 279 
PRO C   O    doub N N 280 
PRO C   OXT  sing N N 281 
PRO CB  CG   sing N N 282 
PRO CB  HB2  sing N N 283 
PRO CB  HB3  sing N N 284 
PRO CG  CD   sing N N 285 
PRO CG  HG2  sing N N 286 
PRO CG  HG3  sing N N 287 
PRO CD  HD2  sing N N 288 
PRO CD  HD3  sing N N 289 
PRO OXT HXT  sing N N 290 
SER N   CA   sing N N 291 
SER N   H    sing N N 292 
SER N   H2   sing N N 293 
SER CA  C    sing N N 294 
SER CA  CB   sing N N 295 
SER CA  HA   sing N N 296 
SER C   O    doub N N 297 
SER C   OXT  sing N N 298 
SER CB  OG   sing N N 299 
SER CB  HB2  sing N N 300 
SER CB  HB3  sing N N 301 
SER OG  HG   sing N N 302 
SER OXT HXT  sing N N 303 
SO4 S   O1   doub N N 304 
SO4 S   O2   doub N N 305 
SO4 S   O3   sing N N 306 
SO4 S   O4   sing N N 307 
THR N   CA   sing N N 308 
THR N   H    sing N N 309 
THR N   H2   sing N N 310 
THR CA  C    sing N N 311 
THR CA  CB   sing N N 312 
THR CA  HA   sing N N 313 
THR C   O    doub N N 314 
THR C   OXT  sing N N 315 
THR CB  OG1  sing N N 316 
THR CB  CG2  sing N N 317 
THR CB  HB   sing N N 318 
THR OG1 HG1  sing N N 319 
THR CG2 HG21 sing N N 320 
THR CG2 HG22 sing N N 321 
THR CG2 HG23 sing N N 322 
THR OXT HXT  sing N N 323 
TYR N   CA   sing N N 324 
TYR N   H    sing N N 325 
TYR N   H2   sing N N 326 
TYR CA  C    sing N N 327 
TYR CA  CB   sing N N 328 
TYR CA  HA   sing N N 329 
TYR C   O    doub N N 330 
TYR C   OXT  sing N N 331 
TYR CB  CG   sing N N 332 
TYR CB  HB2  sing N N 333 
TYR CB  HB3  sing N N 334 
TYR CG  CD1  doub Y N 335 
TYR CG  CD2  sing Y N 336 
TYR CD1 CE1  sing Y N 337 
TYR CD1 HD1  sing N N 338 
TYR CD2 CE2  doub Y N 339 
TYR CD2 HD2  sing N N 340 
TYR CE1 CZ   doub Y N 341 
TYR CE1 HE1  sing N N 342 
TYR CE2 CZ   sing Y N 343 
TYR CE2 HE2  sing N N 344 
TYR CZ  OH   sing N N 345 
TYR OH  HH   sing N N 346 
TYR OXT HXT  sing N N 347 
VAL N   CA   sing N N 348 
VAL N   H    sing N N 349 
VAL N   H2   sing N N 350 
VAL CA  C    sing N N 351 
VAL CA  CB   sing N N 352 
VAL CA  HA   sing N N 353 
VAL C   O    doub N N 354 
VAL C   OXT  sing N N 355 
VAL CB  CG1  sing N N 356 
VAL CB  CG2  sing N N 357 
VAL CB  HB   sing N N 358 
VAL CG1 HG11 sing N N 359 
VAL CG1 HG12 sing N N 360 
VAL CG1 HG13 sing N N 361 
VAL CG2 HG21 sing N N 362 
VAL CG2 HG22 sing N N 363 
VAL CG2 HG23 sing N N 364 
VAL OXT HXT  sing N N 365 
# 
_pdbx_audit_support.funding_organization   'Not funded' 
_pdbx_audit_support.country                ? 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   1EIC 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9JWD 
_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]   0.015545 
_atom_sites.fract_transf_matrix[1][2]   0.008975 
_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]   0.017950 
_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]   0.015600 
_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  
CL 
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   . LYS A 1 1   ? -10.072 20.790 -1.001  1.00 32.71 ? 1   LYS A N   1 
ATOM   2    C  CA  . LYS A 1 1   ? -10.451 19.734 -0.034  1.00 30.62 ? 1   LYS A CA  1 
ATOM   3    C  C   . LYS A 1 1   ? -11.874 20.020 0.457   1.00 27.65 ? 1   LYS A C   1 
ATOM   4    O  O   . LYS A 1 1   ? -12.075 21.125 1.003   1.00 34.18 ? 1   LYS A O   1 
ATOM   5    C  CB  . LYS A 1 1   ? -9.432  19.725 1.111   1.00 32.41 ? 1   LYS A CB  1 
ATOM   6    C  CG  . LYS A 1 1   ? -9.720  18.768 2.263   1.00 34.79 ? 1   LYS A CG  1 
ATOM   7    C  CD  . LYS A 1 1   ? -10.069 17.356 1.832   1.00 34.98 ? 1   LYS A CD  1 
ATOM   8    C  CE  . LYS A 1 1   ? -9.987  16.350 2.965   1.00 37.63 ? 1   LYS A CE  1 
ATOM   9    N  NZ  . LYS A 1 1   ? -8.592  16.114 3.420   1.00 38.54 ? 1   LYS A NZ  1 
ATOM   10   N  N   . GLU A 1 2   ? -12.812 19.084 0.272   1.00 21.37 ? 2   GLU A N   1 
ATOM   11   C  CA  . GLU A 1 2   ? -14.188 19.124 0.846   1.00 17.95 ? 2   GLU A CA  1 
ATOM   12   C  C   . GLU A 1 2   ? -14.103 19.156 2.378   1.00 16.06 ? 2   GLU A C   1 
ATOM   13   O  O   . GLU A 1 2   ? -13.240 18.458 2.923   1.00 16.56 ? 2   GLU A O   1 
ATOM   14   C  CB  . GLU A 1 2   ? -14.974 17.887 0.399   1.00 17.36 ? 2   GLU A CB  1 
ATOM   15   C  CG  . GLU A 1 2   ? -16.480 18.024 0.531   1.00 16.54 ? 2   GLU A CG  1 
ATOM   16   C  CD  . GLU A 1 2   ? -17.269 16.916 -0.149  1.00 16.03 ? 2   GLU A CD  1 
ATOM   17   O  OE1 . GLU A 1 2   ? -16.768 15.779 -0.197  1.00 14.00 ? 2   GLU A OE1 1 
ATOM   18   O  OE2 . GLU A 1 2   ? -18.400 17.200 -0.635  1.00 15.51 ? 2   GLU A OE2 1 
ATOM   19   N  N   . THR A 1 3   ? -14.950 19.928 3.054   1.00 13.22 ? 3   THR A N   1 
ATOM   20   C  CA  . THR A 1 3   ? -15.073 19.881 4.532   1.00 12.33 ? 3   THR A CA  1 
ATOM   21   C  C   . THR A 1 3   ? -15.837 18.612 4.928   1.00 11.60 ? 3   THR A C   1 
ATOM   22   O  O   . THR A 1 3   ? -16.563 18.077 4.073   1.00 10.88 ? 3   THR A O   1 
ATOM   23   C  CB  . THR A 1 3   ? -15.817 21.091 5.106   1.00 12.12 ? 3   THR A CB  1 
ATOM   24   O  OG1 . THR A 1 3   ? -17.180 20.919 4.738   1.00 11.67 ? 3   THR A OG1 1 
ATOM   25   C  CG2 . THR A 1 3   ? -15.294 22.423 4.606   1.00 12.56 ? 3   THR A CG2 1 
ATOM   26   N  N   . ALA A 1 4   ? -15.719 18.191 6.192   1.00 10.35 ? 4   ALA A N   1 
ATOM   27   C  CA  . ALA A 1 4   ? -16.393 16.994 6.744   1.00 9.92  ? 4   ALA A CA  1 
ATOM   28   C  C   . ALA A 1 4   ? -17.916 17.185 6.658   1.00 9.67  ? 4   ALA A C   1 
ATOM   29   O  O   . ALA A 1 4   ? -18.623 16.217 6.322   1.00 9.23  ? 4   ALA A O   1 
ATOM   30   C  CB  . ALA A 1 4   ? -15.923 16.737 8.156   1.00 9.58  ? 4   ALA A CB  1 
ATOM   31   N  N   . ALA A 1 5   ? -18.399 18.400 6.923   1.00 9.48  ? 5   ALA A N   1 
ATOM   32   C  CA  . ALA A 1 5   ? -19.833 18.760 6.894   1.00 9.38  ? 5   ALA A CA  1 
ATOM   33   C  C   . ALA A 1 5   ? -20.346 18.711 5.450   1.00 9.08  ? 5   ALA A C   1 
ATOM   34   O  O   . ALA A 1 5   ? -21.385 18.114 5.227   1.00 9.48  ? 5   ALA A O   1 
ATOM   35   C  CB  . ALA A 1 5   ? -20.030 20.118 7.535   1.00 9.37  ? 5   ALA A CB  1 
ATOM   36   N  N   . ALA A 1 6   ? -19.637 19.304 4.499   1.00 8.95  ? 6   ALA A N   1 
ATOM   37   C  CA  . ALA A 1 6   ? -20.076 19.398 3.095   1.00 8.99  ? 6   ALA A CA  1 
ATOM   38   C  C   . ALA A 1 6   ? -20.115 17.989 2.505   1.00 9.17  ? 6   ALA A C   1 
ATOM   39   O  O   . ALA A 1 6   ? -21.019 17.675 1.703   1.00 8.94  ? 6   ALA A O   1 
ATOM   40   C  CB  . ALA A 1 6   ? -19.151 20.301 2.330   1.00 9.15  ? 6   ALA A CB  1 
ATOM   41   N  N   . LYS A 1 7   ? -19.175 17.148 2.925   1.00 9.58  ? 7   LYS A N   1 
ATOM   42   C  CA  . LYS A 1 7   ? -19.099 15.738 2.482   1.00 9.85  ? 7   LYS A CA  1 
ATOM   43   C  C   . LYS A 1 7   ? -20.286 14.953 3.053   1.00 9.43  ? 7   LYS A C   1 
ATOM   44   O  O   . LYS A 1 7   ? -20.870 14.168 2.302   1.00 8.96  ? 7   LYS A O   1 
ATOM   45   C  CB  . LYS A 1 7   ? -17.779 15.111 2.906   1.00 10.74 ? 7   LYS A CB  1 
ATOM   46   C  CG  . LYS A 1 7   ? -17.642 13.667 2.465   1.00 11.62 ? 7   LYS A CG  1 
ATOM   47   C  CD  . LYS A 1 7   ? -16.333 13.058 2.853   1.00 12.57 ? 7   LYS A CD  1 
ATOM   48   C  CE  . LYS A 1 7   ? -16.208 11.633 2.357   1.00 14.07 ? 7   LYS A CE  1 
ATOM   49   N  NZ  . LYS A 1 7   ? -14.921 11.032 2.792   1.00 14.92 ? 7   LYS A NZ  1 
ATOM   50   N  N   . PHE A 1 8   ? -20.636 15.163 4.328   1.00 8.90  ? 8   PHE A N   1 
ATOM   51   C  CA  . PHE A 1 8   ? -21.827 14.539 4.961   1.00 8.65  ? 8   PHE A CA  1 
ATOM   52   C  C   . PHE A 1 8   ? -23.086 14.880 4.153   1.00 8.56  ? 8   PHE A C   1 
ATOM   53   O  O   . PHE A 1 8   ? -23.969 14.008 3.927   1.00 8.29  ? 8   PHE A O   1 
ATOM   54   C  CB  . PHE A 1 8   ? -21.999 14.992 6.410   1.00 8.49  ? 8   PHE A CB  1 
ATOM   55   C  CG  . PHE A 1 8   ? -23.205 14.345 7.034   1.00 8.63  ? 8   PHE A CG  1 
ATOM   56   C  CD1 . PHE A 1 8   ? -24.460 14.918 6.900   1.00 8.51  ? 8   PHE A CD1 1 
ATOM   57   C  CD2 . PHE A 1 8   ? -23.099 13.091 7.621   1.00 8.60  ? 8   PHE A CD2 1 
ATOM   58   C  CE1 . PHE A 1 8   ? -25.572 14.291 7.426   1.00 8.59  ? 8   PHE A CE1 1 
ATOM   59   C  CE2 . PHE A 1 8   ? -24.220 12.460 8.133   1.00 8.64  ? 8   PHE A CE2 1 
ATOM   60   C  CZ  . PHE A 1 8   ? -25.451 13.067 8.043   1.00 8.65  ? 8   PHE A CZ  1 
ATOM   61   N  N   . GLU A 1 9   ? -23.170 16.143 3.734   1.00 8.55  ? 9   GLU A N   1 
ATOM   62   C  CA  . GLU A 1 9   ? -24.317 16.702 2.970   1.00 8.57  ? 9   GLU A CA  1 
ATOM   63   C  C   . GLU A 1 9   ? -24.419 15.998 1.614   1.00 8.35  ? 9   GLU A C   1 
ATOM   64   O  O   . GLU A 1 9   ? -25.519 15.500 1.254   1.00 8.42  ? 9   GLU A O   1 
ATOM   65   C  CB  . GLU A 1 9   ? -24.126 18.219 2.818   1.00 9.00  ? 9   GLU A CB  1 
ATOM   66   C  CG  . GLU A 1 9   ? -24.269 18.976 4.140   1.00 8.82  ? 9   GLU A CG  1 
ATOM   67   C  CD  . GLU A 1 9   ? -23.900 20.449 4.101   1.00 8.96  ? 9   GLU A CD  1 
ATOM   68   O  OE1 . GLU A 1 9   ? -23.445 20.932 3.027   1.00 8.83  ? 9   GLU A OE1 1 
ATOM   69   O  OE2 . GLU A 1 9   ? -24.101 21.116 5.154   1.00 8.82  ? 9   GLU A OE2 1 
ATOM   70   N  N   . ARG A 1 10  ? -23.307 15.950 0.889   1.00 8.17  ? 10  ARG A N   1 
ATOM   71   C  CA  . ARG A 1 10  ? -23.230 15.331 -0.456  1.00 8.06  ? 10  ARG A CA  1 
ATOM   72   C  C   . ARG A 1 10  ? -23.588 13.844 -0.354  1.00 7.71  ? 10  ARG A C   1 
ATOM   73   O  O   . ARG A 1 10  ? -24.378 13.384 -1.178  1.00 7.28  ? 10  ARG A O   1 
ATOM   74   C  CB  . ARG A 1 10  ? -21.842 15.557 -1.057  1.00 8.13  ? 10  ARG A CB  1 
ATOM   75   C  CG  . ARG A 1 10  ? -21.655 14.902 -2.414  1.00 8.19  ? 10  ARG A CG  1 
ATOM   76   C  CD  . ARG A 1 10  ? -20.339 15.272 -3.055  1.00 8.27  ? 10  ARG A CD  1 
ATOM   77   N  NE  . ARG A 1 10  ? -19.228 14.864 -2.216  1.00 8.66  ? 10  ARG A NE  1 
ATOM   78   C  CZ  . ARG A 1 10  ? -18.670 13.645 -2.188  1.00 8.97  ? 10  ARG A CZ  1 
ATOM   79   N  NH1 . ARG A 1 10  ? -19.099 12.678 -2.982  1.00 8.81  ? 10  ARG A NH1 1 
ATOM   80   N  NH2 . ARG A 1 10  ? -17.670 13.402 -1.349  1.00 9.21  ? 10  ARG A NH2 1 
ATOM   81   N  N   . GLN A 1 11  ? -23.046 13.133 0.631   1.00 7.38  ? 11  GLN A N   1 
ATOM   82   C  CA  . GLN A 1 11  ? -23.192 11.659 0.730   1.00 7.33  ? 11  GLN A CA  1 
ATOM   83   C  C   . GLN A 1 11  ? -24.564 11.288 1.302   1.00 7.05  ? 11  GLN A C   1 
ATOM   84   O  O   . GLN A 1 11  ? -25.097 10.250 0.893   1.00 6.70  ? 11  GLN A O   1 
ATOM   85   C  CB  . GLN A 1 11  ? -22.085 11.067 1.596   1.00 7.60  ? 11  GLN A CB  1 
ATOM   86   C  CG  . GLN A 1 11  ? -20.705 11.181 0.967   1.00 7.80  ? 11  GLN A CG  1 
ATOM   87   C  CD  . GLN A 1 11  ? -19.706 10.290 1.661   1.00 8.15  ? 11  GLN A CD  1 
ATOM   88   O  OE1 . GLN A 1 11  ? -19.610 10.282 2.881   1.00 8.65  ? 11  GLN A OE1 1 
ATOM   89   N  NE2 . GLN A 1 11  ? -18.937 9.536  0.894   1.00 8.65  ? 11  GLN A NE2 1 
ATOM   90   N  N   . HIS A 1 12  ? -25.126 12.087 2.213   1.00 7.03  ? 12  HIS A N   1 
ATOM   91   C  CA  . HIS A 1 12  ? -26.235 11.597 3.081   1.00 7.13  ? 12  HIS A CA  1 
ATOM   92   C  C   . HIS A 1 12  ? -27.547 12.390 2.936   1.00 7.34  ? 12  HIS A C   1 
ATOM   93   O  O   . HIS A 1 12  ? -28.569 11.798 3.296   1.00 7.18  ? 12  HIS A O   1 
ATOM   94   C  CB  . HIS A 1 12  ? -25.712 11.428 4.511   1.00 7.08  ? 12  HIS A CB  1 
ATOM   95   C  CG  . HIS A 1 12  ? -24.581 10.457 4.579   1.00 7.08  ? 12  HIS A CG  1 
ATOM   96   N  ND1 . HIS A 1 12  ? -24.717 9.140  4.181   1.00 7.02  ? 12  HIS A ND1 1 
ATOM   97   C  CD2 . HIS A 1 12  ? -23.294 10.604 4.958   1.00 7.26  ? 12  HIS A CD2 1 
ATOM   98   C  CE1 . HIS A 1 12  ? -23.574 8.506  4.351   1.00 7.05  ? 12  HIS A CE1 1 
ATOM   99   N  NE2 . HIS A 1 12  ? -22.682 9.381  4.824   1.00 7.27  ? 12  HIS A NE2 1 
ATOM   100  N  N   . MET A 1 13  ? -27.567 13.607 2.365   1.00 7.64  ? 13  MET A N   1 
ATOM   101  C  CA  . MET A 1 13  ? -28.815 14.435 2.330   1.00 8.14  ? 13  MET A CA  1 
ATOM   102  C  C   . MET A 1 13  ? -29.570 14.283 0.989   1.00 8.70  ? 13  MET A C   1 
ATOM   103  O  O   . MET A 1 13  ? -28.981 14.444 -0.073  1.00 8.56  ? 13  MET A O   1 
ATOM   104  C  CB  . MET A 1 13  ? -28.496 15.909 2.592   1.00 7.86  ? 13  MET A CB  1 
ATOM   105  C  CG  . MET A 1 13  ? -27.992 16.191 3.997   1.00 7.62  ? 13  MET A CG  1 
ATOM   106  S  SD  . MET A 1 13  ? -29.114 15.636 5.287   1.00 7.53  ? 13  MET A SD  1 
ATOM   107  C  CE  . MET A 1 13  ? -30.643 16.388 4.753   1.00 7.62  ? 13  MET A CE  1 
ATOM   108  N  N   . ASP A 1 14  ? -30.851 13.934 1.039   1.00 9.92  ? 14  ASP A N   1 
ATOM   109  C  CA  . ASP A 1 14  ? -31.757 13.993 -0.135  1.00 10.86 ? 14  ASP A CA  1 
ATOM   110  C  C   . ASP A 1 14  ? -33.092 14.559 0.310   1.00 11.24 ? 14  ASP A C   1 
ATOM   111  O  O   . ASP A 1 14  ? -34.075 13.793 0.334   1.00 11.41 ? 14  ASP A O   1 
ATOM   112  C  CB  . ASP A 1 14  ? -32.026 12.645 -0.812  1.00 11.84 ? 14  ASP A CB  1 
ATOM   113  C  CG  . ASP A 1 14  ? -32.858 12.820 -2.077  1.00 12.08 ? 14  ASP A CG  1 
ATOM   114  O  OD1 . ASP A 1 14  ? -33.354 11.832 -2.597  1.00 11.98 ? 14  ASP A OD1 1 
ATOM   115  O  OD2 . ASP A 1 14  ? -33.024 13.974 -2.513  1.00 13.70 ? 14  ASP A OD2 1 
ATOM   116  N  N   . SER A 1 15  ? -33.109 15.864 0.567   1.00 11.41 ? 15  SER A N   1 
ATOM   117  C  CA  . SER A 1 15  ? -34.297 16.610 1.041   1.00 12.45 ? 15  SER A CA  1 
ATOM   118  C  C   . SER A 1 15  ? -35.289 16.843 -0.113  1.00 13.12 ? 15  SER A C   1 
ATOM   119  O  O   . SER A 1 15  ? -36.379 17.302 0.192   1.00 13.19 ? 15  SER A O   1 
ATOM   120  C  CB  . SER A 1 15  ? -33.892 17.919 1.709   1.00 12.17 ? 15  SER A CB  1 
ATOM   121  O  OG  . SER A 1 15  ? -32.848 17.718 2.652   1.00 11.17 ? 15  SER A OG  1 
ATOM   122  N  N   . SER A 1 16  ? -34.936 16.532 -1.369  1.00 13.91 ? 16  SER A N   1 
ATOM   123  C  CA  . SER A 1 16  ? -35.738 16.864 -2.577  1.00 14.82 ? 16  SER A CA  1 
ATOM   124  C  C   . SER A 1 16  ? -36.879 15.856 -2.776  1.00 15.57 ? 16  SER A C   1 
ATOM   125  O  O   . SER A 1 16  ? -37.848 16.201 -3.448  1.00 15.38 ? 16  SER A O   1 
ATOM   126  C  CB  . SER A 1 16  ? -34.864 16.947 -3.811  1.00 15.41 ? 16  SER A CB  1 
ATOM   127  O  OG  . SER A 1 16  ? -34.626 15.656 -4.384  1.00 15.45 ? 16  SER A OG  1 
ATOM   128  N  N   . THR A 1 17  ? -36.758 14.636 -2.248  1.00 17.39 ? 17  THR A N   1 
ATOM   129  C  CA  . THR A 1 17  ? -37.804 13.577 -2.336  1.00 17.81 ? 17  THR A CA  1 
ATOM   130  C  C   . THR A 1 17  ? -38.113 13.088 -0.928  1.00 17.30 ? 17  THR A C   1 
ATOM   131  O  O   . THR A 1 17  ? -37.185 13.037 -0.120  1.00 17.29 ? 17  THR A O   1 
ATOM   132  C  CB  . THR A 1 17  ? -37.355 12.383 -3.184  1.00 18.44 ? 17  THR A CB  1 
ATOM   133  O  OG1 . THR A 1 17  ? -36.225 11.797 -2.533  1.00 17.81 ? 17  THR A OG1 1 
ATOM   134  C  CG2 . THR A 1 17  ? -36.967 12.771 -4.592  1.00 18.99 ? 17  THR A CG2 1 
ATOM   135  N  N   . SER A 1 18  ? -39.362 12.699 -0.679  1.00 18.55 ? 18  SER A N   1 
ATOM   136  C  CA  . SER A 1 18  ? -39.849 12.177 0.627   1.00 19.49 ? 18  SER A CA  1 
ATOM   137  C  C   . SER A 1 18  ? -39.430 10.711 0.829   1.00 19.34 ? 18  SER A C   1 
ATOM   138  O  O   . SER A 1 18  ? -39.364 10.272 1.981   1.00 19.49 ? 18  SER A O   1 
ATOM   139  C  CB  . SER A 1 18  ? -41.346 12.365 0.750   1.00 20.13 ? 18  SER A CB  1 
ATOM   140  O  OG  . SER A 1 18  ? -42.043 11.484 -0.113  1.00 22.57 ? 18  SER A OG  1 
ATOM   141  N  N   . ALA A 1 19  ? -39.152 9.978  -0.250  1.00 20.77 ? 19  ALA A N   1 
ATOM   142  C  CA  . ALA A 1 19  ? -38.707 8.567  -0.221  1.00 22.23 ? 19  ALA A CA  1 
ATOM   143  C  C   . ALA A 1 19  ? -38.270 8.153  -1.625  1.00 23.22 ? 19  ALA A C   1 
ATOM   144  O  O   . ALA A 1 19  ? -38.801 8.728  -2.591  1.00 23.25 ? 19  ALA A O   1 
ATOM   145  C  CB  . ALA A 1 19  ? -39.826 7.678  0.275   1.00 23.08 ? 19  ALA A CB  1 
ATOM   146  N  N   . ALA A 1 20  ? -37.320 7.218  -1.712  1.00 24.18 ? 20  ALA A N   1 
ATOM   147  C  CA  . ALA A 1 20  ? -37.041 6.400  -2.914  1.00 26.33 ? 20  ALA A CA  1 
ATOM   148  C  C   . ALA A 1 20  ? -38.363 5.819  -3.430  1.00 28.58 ? 20  ALA A C   1 
ATOM   149  O  O   . ALA A 1 20  ? -38.942 4.956  -2.748  1.00 31.94 ? 20  ALA A O   1 
ATOM   150  C  CB  . ALA A 1 20  ? -36.048 5.312  -2.584  1.00 24.93 ? 20  ALA A CB  1 
ATOM   151  N  N   . SER A 1 21  ? -38.835 6.286  -4.586  1.00 32.47 ? 21  SER A N   1 
ATOM   152  C  CA  . SER A 1 21  ? -40.099 5.810  -5.210  1.00 32.82 ? 21  SER A CA  1 
ATOM   153  C  C   . SER A 1 21  ? -39.803 4.836  -6.358  1.00 29.89 ? 21  SER A C   1 
ATOM   154  O  O   . SER A 1 21  ? -40.762 4.495  -7.074  1.00 32.92 ? 21  SER A O   1 
ATOM   155  C  CB  . SER A 1 21  ? -40.950 6.967  -5.661  1.00 34.03 ? 21  SER A CB  1 
ATOM   156  O  OG  . SER A 1 21  ? -40.377 7.583  -6.803  1.00 37.64 ? 21  SER A OG  1 
ATOM   157  N  N   . SER A 1 22  ? -38.553 4.372  -6.504  1.00 25.96 ? 22  SER A N   1 
ATOM   158  C  CA  . SER A 1 22  ? -38.159 3.340  -7.504  1.00 23.41 ? 22  SER A CA  1 
ATOM   159  C  C   . SER A 1 22  ? -36.884 2.606  -7.071  1.00 21.61 ? 22  SER A C   1 
ATOM   160  O  O   . SER A 1 22  ? -36.065 3.204  -6.345  1.00 22.72 ? 22  SER A O   1 
ATOM   161  C  CB  . SER A 1 22  ? -37.982 3.951  -8.859  1.00 23.07 ? 22  SER A CB  1 
ATOM   162  O  OG  . SER A 1 22  ? -36.621 3.925  -9.248  1.00 23.67 ? 22  SER A OG  1 
ATOM   163  N  N   . SER A 1 23  ? -36.713 1.364  -7.532  1.00 18.74 ? 23  SER A N   1 
ATOM   164  C  CA  . SER A 1 23  ? -35.512 0.518  -7.299  1.00 18.07 ? 23  SER A CA  1 
ATOM   165  C  C   . SER A 1 23  ? -34.258 1.094  -7.964  1.00 17.03 ? 23  SER A C   1 
ATOM   166  O  O   . SER A 1 23  ? -33.182 0.630  -7.601  1.00 17.20 ? 23  SER A O   1 
ATOM   167  C  CB  . SER A 1 23  ? -35.729 -0.892 -7.783  1.00 18.08 ? 23  SER A CB  1 
ATOM   168  O  OG  . SER A 1 23  ? -36.030 -0.905 -9.167  1.00 17.11 ? 23  SER A OG  1 
ATOM   169  N  N   . ASN A 1 24  ? -34.397 1.975  -8.946  1.00 16.35 ? 24  ASN A N   1 
ATOM   170  C  CA  . ASN A 1 24  ? -33.228 2.612  -9.603  1.00 16.97 ? 24  ASN A CA  1 
ATOM   171  C  C   . ASN A 1 24  ? -32.696 3.795  -8.782  1.00 15.98 ? 24  ASN A C   1 
ATOM   172  O  O   . ASN A 1 24  ? -31.595 4.249  -9.093  1.00 16.24 ? 24  ASN A O   1 
ATOM   173  C  CB  . ASN A 1 24  ? -33.529 3.012  -11.044 1.00 18.14 ? 24  ASN A CB  1 
ATOM   174  C  CG  . ASN A 1 24  ? -33.745 1.786  -11.898 1.00 19.04 ? 24  ASN A CG  1 
ATOM   175  O  OD1 . ASN A 1 24  ? -32.800 1.032  -12.146 1.00 20.28 ? 24  ASN A OD1 1 
ATOM   176  N  ND2 . ASN A 1 24  ? -34.976 1.550  -12.324 1.00 19.22 ? 24  ASN A ND2 1 
ATOM   177  N  N   . TYR A 1 25  ? -33.454 4.283  -7.804  1.00 14.50 ? 25  TYR A N   1 
ATOM   178  C  CA  . TYR A 1 25  ? -33.064 5.439  -6.962  1.00 13.20 ? 25  TYR A CA  1 
ATOM   179  C  C   . TYR A 1 25  ? -31.570 5.372  -6.575  1.00 12.24 ? 25  TYR A C   1 
ATOM   180  O  O   . TYR A 1 25  ? -30.886 6.392  -6.729  1.00 12.10 ? 25  TYR A O   1 
ATOM   181  C  CB  . TYR A 1 25  ? -33.967 5.524  -5.737  1.00 13.17 ? 25  TYR A CB  1 
ATOM   182  C  CG  . TYR A 1 25  ? -33.524 6.590  -4.765  1.00 13.45 ? 25  TYR A CG  1 
ATOM   183  C  CD1 . TYR A 1 25  ? -32.588 6.318  -3.784  1.00 13.02 ? 25  TYR A CD1 1 
ATOM   184  C  CD2 . TYR A 1 25  ? -34.028 7.877  -4.851  1.00 13.25 ? 25  TYR A CD2 1 
ATOM   185  C  CE1 . TYR A 1 25  ? -32.189 7.299  -2.895  1.00 13.81 ? 25  TYR A CE1 1 
ATOM   186  C  CE2 . TYR A 1 25  ? -33.631 8.871  -3.977  1.00 13.40 ? 25  TYR A CE2 1 
ATOM   187  C  CZ  . TYR A 1 25  ? -32.710 8.581  -2.993  1.00 13.45 ? 25  TYR A CZ  1 
ATOM   188  O  OH  . TYR A 1 25  ? -32.314 9.564  -2.137  1.00 13.55 ? 25  TYR A OH  1 
ATOM   189  N  N   . CYS A 1 26  ? -31.057 4.235  -6.091  1.00 11.82 ? 26  CYS A N   1 
ATOM   190  C  CA  . CYS A 1 26  ? -29.683 4.147  -5.526  1.00 11.39 ? 26  CYS A CA  1 
ATOM   191  C  C   . CYS A 1 26  ? -28.651 4.252  -6.656  1.00 11.66 ? 26  CYS A C   1 
ATOM   192  O  O   . CYS A 1 26  ? -27.754 5.081  -6.540  1.00 12.09 ? 26  CYS A O   1 
ATOM   193  C  CB  . CYS A 1 26  ? -29.489 2.900  -4.678  1.00 11.03 ? 26  CYS A CB  1 
ATOM   194  S  SG  . CYS A 1 26  ? -30.200 3.085  -3.020  1.00 10.93 ? 26  CYS A SG  1 
ATOM   195  N  N   . ASN A 1 27  ? -28.804 3.496  -7.735  1.00 11.79 ? 27  ASN A N   1 
ATOM   196  C  CA  . ASN A 1 27  ? -27.988 3.644  -8.976  1.00 12.39 ? 27  ASN A CA  1 
ATOM   197  C  C   . ASN A 1 27  ? -27.869 5.111  -9.383  1.00 13.34 ? 27  ASN A C   1 
ATOM   198  O  O   . ASN A 1 27  ? -26.736 5.575  -9.575  1.00 12.72 ? 27  ASN A O   1 
ATOM   199  C  CB  . ASN A 1 27  ? -28.575 2.844  -10.130 1.00 11.64 ? 27  ASN A CB  1 
ATOM   200  C  CG  . ASN A 1 27  ? -28.346 1.367  -9.909  1.00 11.61 ? 27  ASN A CG  1 
ATOM   201  O  OD1 . ASN A 1 27  ? -27.372 0.970  -9.282  1.00 10.77 ? 27  ASN A OD1 1 
ATOM   202  N  ND2 . ASN A 1 27  ? -29.280 0.555  -10.354 1.00 11.66 ? 27  ASN A ND2 1 
ATOM   203  N  N   . GLN A 1 28  ? -29.000 5.807  -9.487  1.00 15.28 ? 28  GLN A N   1 
ATOM   204  C  CA  . GLN A 1 28  ? -29.053 7.222  -9.927  1.00 17.23 ? 28  GLN A CA  1 
ATOM   205  C  C   . GLN A 1 28  ? -28.309 8.082  -8.902  1.00 16.05 ? 28  GLN A C   1 
ATOM   206  O  O   . GLN A 1 28  ? -27.456 8.888  -9.293  1.00 15.21 ? 28  GLN A O   1 
ATOM   207  C  CB  . GLN A 1 28  ? -30.505 7.668  -10.107 1.00 20.41 ? 28  GLN A CB  1 
ATOM   208  C  CG  . GLN A 1 28  ? -31.226 6.928  -11.228 1.00 24.87 ? 28  GLN A CG  1 
ATOM   209  C  CD  . GLN A 1 28  ? -32.691 7.295  -11.351 1.00 29.64 ? 28  GLN A CD  1 
ATOM   210  O  OE1 . GLN A 1 28  ? -33.143 8.321  -10.839 1.00 33.67 ? 28  GLN A OE1 1 
ATOM   211  N  NE2 . GLN A 1 28  ? -33.455 6.452  -12.035 1.00 30.35 ? 28  GLN A NE2 1 
ATOM   212  N  N   . MET A 1 29  ? -28.617 7.925  -7.617  1.00 15.77 ? 29  MET A N   1 
ATOM   213  C  CA  . MET A 1 29  ? -28.146 8.899  -6.600  1.00 14.97 ? 29  MET A CA  1 
ATOM   214  C  C   . MET A 1 29  ? -26.676 8.619  -6.266  1.00 14.58 ? 29  MET A C   1 
ATOM   215  O  O   . MET A 1 29  ? -25.924 9.597  -6.068  1.00 14.23 ? 29  MET A O   1 
ATOM   216  C  CB  . MET A 1 29  ? -29.032 8.849  -5.356  1.00 15.30 ? 29  MET A CB  1 
ATOM   217  C  CG  . MET A 1 29  ? -30.319 9.618  -5.522  1.00 15.49 ? 29  MET A CG  1 
ATOM   218  S  SD  . MET A 1 29  ? -30.088 11.406 -5.462  1.00 16.52 ? 29  MET A SD  1 
ATOM   219  C  CE  . MET A 1 29  ? -29.635 11.632 -3.746  1.00 17.11 ? 29  MET A CE  1 
ATOM   220  N  N   . MET A 1 30  ? -26.251 7.350  -6.258  1.00 13.91 ? 30  MET A N   1 
ATOM   221  C  CA  . MET A 1 30  ? -24.843 6.984  -5.955  1.00 14.08 ? 30  MET A CA  1 
ATOM   222  C  C   . MET A 1 30  ? -23.917 7.602  -7.007  1.00 15.51 ? 30  MET A C   1 
ATOM   223  O  O   . MET A 1 30  ? -22.769 7.988  -6.650  1.00 16.04 ? 30  MET A O   1 
ATOM   224  C  CB  . MET A 1 30  ? -24.648 5.466  -5.912  1.00 13.24 ? 30  MET A CB  1 
ATOM   225  C  CG  . MET A 1 30  ? -25.288 4.832  -4.682  1.00 13.28 ? 30  MET A CG  1 
ATOM   226  S  SD  . MET A 1 30  ? -24.706 5.534  -3.134  1.00 12.48 ? 30  MET A SD  1 
ATOM   227  C  CE  . MET A 1 30  ? -23.023 4.921  -3.087  1.00 12.56 ? 30  MET A CE  1 
ATOM   228  N  N   . LYS A 1 31  ? -24.393 7.680  -8.254  1.00 16.46 ? 31  LYS A N   1 
ATOM   229  C  CA  . LYS A 1 31  ? -23.627 8.231  -9.396  1.00 16.84 ? 31  LYS A CA  1 
ATOM   230  C  C   . LYS A 1 31  ? -23.654 9.762  -9.330  1.00 15.96 ? 31  LYS A C   1 
ATOM   231  O  O   . LYS A 1 31  ? -22.584 10.357 -9.462  1.00 16.57 ? 31  LYS A O   1 
ATOM   232  C  CB  . LYS A 1 31  ? -24.191 7.726  -10.725 1.00 18.41 ? 31  LYS A CB  1 
ATOM   233  C  CG  . LYS A 1 31  ? -23.723 8.514  -11.936 1.00 19.87 ? 31  LYS A CG  1 
ATOM   234  C  CD  . LYS A 1 31  ? -24.058 7.864  -13.252 1.00 22.46 ? 31  LYS A CD  1 
ATOM   235  C  CE  . LYS A 1 31  ? -23.486 8.646  -14.415 1.00 24.07 ? 31  LYS A CE  1 
ATOM   236  N  NZ  . LYS A 1 31  ? -22.732 7.751  -15.323 1.00 26.36 ? 31  LYS A NZ  1 
ATOM   237  N  N   . SER A 1 32  ? -24.825 10.365 -9.133  1.00 14.75 ? 32  SER A N   1 
ATOM   238  C  CA  . SER A 1 32  ? -25.022 11.834 -9.196  1.00 14.70 ? 32  SER A CA  1 
ATOM   239  C  C   . SER A 1 32  ? -24.437 12.551 -7.970  1.00 14.45 ? 32  SER A C   1 
ATOM   240  O  O   . SER A 1 32  ? -24.221 13.765 -8.065  1.00 16.00 ? 32  SER A O   1 
ATOM   241  C  CB  . SER A 1 32  ? -26.466 12.176 -9.387  1.00 14.49 ? 32  SER A CB  1 
ATOM   242  O  OG  . SER A 1 32  ? -27.233 11.763 -8.279  1.00 14.56 ? 32  SER A OG  1 
ATOM   243  N  N   . ARG A 1 33  ? -24.188 11.852 -6.865  1.00 13.50 ? 33  ARG A N   1 
ATOM   244  C  CA  . ARG A 1 33  ? -23.492 12.412 -5.675  1.00 12.91 ? 33  ARG A CA  1 
ATOM   245  C  C   . ARG A 1 33  ? -22.021 12.030 -5.739  1.00 14.20 ? 33  ARG A C   1 
ATOM   246  O  O   . ARG A 1 33  ? -21.296 12.266 -4.755  1.00 13.86 ? 33  ARG A O   1 
ATOM   247  C  CB  . ARG A 1 33  ? -24.138 11.928 -4.378  1.00 11.48 ? 33  ARG A CB  1 
ATOM   248  C  CG  . ARG A 1 33  ? -25.507 12.541 -4.154  1.00 10.54 ? 33  ARG A CG  1 
ATOM   249  C  CD  . ARG A 1 33  ? -25.487 14.057 -4.151  1.00 9.75  ? 33  ARG A CD  1 
ATOM   250  N  NE  . ARG A 1 33  ? -26.841 14.522 -3.974  1.00 9.31  ? 33  ARG A NE  1 
ATOM   251  C  CZ  . ARG A 1 33  ? -27.440 14.718 -2.802  1.00 8.95  ? 33  ARG A CZ  1 
ATOM   252  N  NH1 . ARG A 1 33  ? -26.782 14.535 -1.672  1.00 8.87  ? 33  ARG A NH1 1 
ATOM   253  N  NH2 . ARG A 1 33  ? -28.697 15.122 -2.769  1.00 8.59  ? 33  ARG A NH2 1 
ATOM   254  N  N   . ASN A 1 34  ? -21.602 11.494 -6.887  1.00 16.11 ? 34  ASN A N   1 
ATOM   255  C  CA  . ASN A 1 34  ? -20.153 11.258 -7.130  1.00 17.83 ? 34  ASN A CA  1 
ATOM   256  C  C   . ASN A 1 34  ? -19.600 10.214 -6.163  1.00 18.47 ? 34  ASN A C   1 
ATOM   257  O  O   . ASN A 1 34  ? -18.461 10.360 -5.739  1.00 19.45 ? 34  ASN A O   1 
ATOM   258  C  CB  . ASN A 1 34  ? -19.398 12.586 -7.194  1.00 18.14 ? 34  ASN A CB  1 
ATOM   259  C  CG  . ASN A 1 34  ? -19.876 13.444 -8.342  1.00 18.81 ? 34  ASN A CG  1 
ATOM   260  O  OD1 . ASN A 1 34  ? -20.098 12.939 -9.446  1.00 20.73 ? 34  ASN A OD1 1 
ATOM   261  N  ND2 . ASN A 1 34  ? -20.057 14.733 -8.105  1.00 18.54 ? 34  ASN A ND2 1 
ATOM   262  N  N   . LEU A 1 35  ? -20.395 9.194  -5.880  1.00 18.55 ? 35  LEU A N   1 
ATOM   263  C  CA  . LEU A 1 35  ? -19.934 8.078  -5.017  1.00 18.85 ? 35  LEU A CA  1 
ATOM   264  C  C   . LEU A 1 35  ? -19.624 6.842  -5.867  1.00 19.37 ? 35  LEU A C   1 
ATOM   265  O  O   . LEU A 1 35  ? -19.441 5.770  -5.268  1.00 19.78 ? 35  LEU A O   1 
ATOM   266  C  CB  . LEU A 1 35  ? -21.012 7.775  -3.973  1.00 18.94 ? 35  LEU A CB  1 
ATOM   267  C  CG  . LEU A 1 35  ? -21.498 8.981  -3.179  1.00 18.60 ? 35  LEU A CG  1 
ATOM   268  C  CD1 . LEU A 1 35  ? -22.649 8.597  -2.269  1.00 18.95 ? 35  LEU A CD1 1 
ATOM   269  C  CD2 . LEU A 1 35  ? -20.360 9.575  -2.382  1.00 18.70 ? 35  LEU A CD2 1 
ATOM   270  N  N   . THR A 1 36  ? -19.560 6.969  -7.195  1.00 19.92 ? 36  THR A N   1 
ATOM   271  C  CA  . THR A 1 36  ? -19.107 5.872  -8.093  1.00 22.07 ? 36  THR A CA  1 
ATOM   272  C  C   . THR A 1 36  ? -17.937 6.349  -8.968  1.00 24.27 ? 36  THR A C   1 
ATOM   273  O  O   . THR A 1 36  ? -17.638 5.658  -9.941  1.00 22.52 ? 36  THR A O   1 
ATOM   274  C  CB  . THR A 1 36  ? -20.279 5.302  -8.912  1.00 21.01 ? 36  THR A CB  1 
ATOM   275  O  OG1 . THR A 1 36  ? -20.863 6.281  -9.770  1.00 19.72 ? 36  THR A OG1 1 
ATOM   276  C  CG2 . THR A 1 36  ? -21.385 4.750  -8.042  1.00 20.48 ? 36  THR A CG2 1 
ATOM   277  N  N   . LYS A 1 37  ? -17.275 7.465  -8.630  1.00 30.16 ? 37  LYS A N   1 
ATOM   278  C  CA  . LYS A 1 37  ? -16.207 8.065  -9.480  1.00 33.14 ? 37  LYS A CA  1 
ATOM   279  C  C   . LYS A 1 37  ? -14.972 7.167  -9.479  1.00 34.72 ? 37  LYS A C   1 
ATOM   280  O  O   . LYS A 1 37  ? -14.689 6.560  -10.522 1.00 34.01 ? 37  LYS A O   1 
ATOM   281  C  CB  . LYS A 1 37  ? -15.826 9.476  -9.029  1.00 37.55 ? 37  LYS A CB  1 
ATOM   282  C  CG  . LYS A 1 37  ? -16.666 10.583 -9.652  1.00 41.56 ? 37  LYS A CG  1 
ATOM   283  C  CD  . LYS A 1 37  ? -16.675 10.566 -11.165 1.00 44.81 ? 37  LYS A CD  1 
ATOM   284  C  CE  . LYS A 1 37  ? -17.862 11.302 -11.747 1.00 47.67 ? 37  LYS A CE  1 
ATOM   285  N  NZ  . LYS A 1 37  ? -17.726 12.765 -11.556 1.00 48.06 ? 37  LYS A NZ  1 
ATOM   286  N  N   . ASP A 1 38  ? -14.251 7.091  -8.365  1.00 34.92 ? 38  ASP A N   1 
ATOM   287  C  CA  . ASP A 1 38  ? -13.033 6.245  -8.286  1.00 37.59 ? 38  ASP A CA  1 
ATOM   288  C  C   . ASP A 1 38  ? -13.474 4.781  -8.288  1.00 35.69 ? 38  ASP A C   1 
ATOM   289  O  O   . ASP A 1 38  ? -13.250 4.106  -9.293  1.00 37.28 ? 38  ASP A O   1 
ATOM   290  C  CB  . ASP A 1 38  ? -12.176 6.602  -7.066  1.00 40.67 ? 38  ASP A CB  1 
ATOM   291  C  CG  . ASP A 1 38  ? -11.464 7.943  -7.189  1.00 43.55 ? 38  ASP A CG  1 
ATOM   292  O  OD1 . ASP A 1 38  ? -10.836 8.370  -6.182  1.00 46.78 ? 38  ASP A OD1 1 
ATOM   293  O  OD2 . ASP A 1 38  ? -11.547 8.557  -8.286  1.00 40.05 ? 38  ASP A OD2 1 
ATOM   294  N  N   . ARG A 1 39  ? -14.109 4.346  -7.199  1.00 32.92 ? 39  ARG A N   1 
ATOM   295  C  CA  . ARG A 1 39  ? -14.587 2.958  -6.961  1.00 31.00 ? 39  ARG A CA  1 
ATOM   296  C  C   . ARG A 1 39  ? -16.110 2.992  -6.785  1.00 27.00 ? 39  ARG A C   1 
ATOM   297  O  O   . ARG A 1 39  ? -16.665 4.111  -6.694  1.00 26.25 ? 39  ARG A O   1 
ATOM   298  C  CB  . ARG A 1 39  ? -13.940 2.390  -5.693  1.00 33.60 ? 39  ARG A CB  1 
ATOM   299  C  CG  . ARG A 1 39  ? -13.953 3.372  -4.528  1.00 36.57 ? 39  ARG A CG  1 
ATOM   300  C  CD  . ARG A 1 39  ? -14.228 2.798  -3.143  1.00 39.34 ? 39  ARG A CD  1 
ATOM   301  N  NE  . ARG A 1 39  ? -14.861 3.817  -2.298  1.00 38.28 ? 39  ARG A NE  1 
ATOM   302  C  CZ  . ARG A 1 39  ? -15.094 3.713  -0.991  1.00 38.88 ? 39  ARG A CZ  1 
ATOM   303  N  NH1 . ARG A 1 39  ? -14.744 2.626  -0.320  1.00 39.99 ? 39  ARG A NH1 1 
ATOM   304  N  NH2 . ARG A 1 39  ? -15.681 4.710  -0.352  1.00 38.80 ? 39  ARG A NH2 1 
ATOM   305  N  N   . CYS A 1 40  ? -16.758 1.820  -6.733  1.00 22.36 ? 40  CYS A N   1 
ATOM   306  C  CA  . CYS A 1 40  ? -18.158 1.664  -6.255  1.00 19.10 ? 40  CYS A CA  1 
ATOM   307  C  C   . CYS A 1 40  ? -18.159 1.747  -4.732  1.00 16.74 ? 40  CYS A C   1 
ATOM   308  O  O   . CYS A 1 40  ? -17.524 0.902  -4.097  1.00 15.70 ? 40  CYS A O   1 
ATOM   309  C  CB  . CYS A 1 40  ? -18.774 0.325  -6.626  1.00 18.80 ? 40  CYS A CB  1 
ATOM   310  S  SG  . CYS A 1 40  ? -18.945 0.038  -8.400  1.00 18.14 ? 40  CYS A SG  1 
ATOM   311  N  N   . LYS A 1 41  ? -18.835 2.737  -4.162  1.00 14.99 ? 41  LYS A N   1 
ATOM   312  C  CA  . LYS A 1 41  ? -18.928 2.842  -2.689  1.00 14.05 ? 41  LYS A CA  1 
ATOM   313  C  C   . LYS A 1 41  ? -19.900 1.781  -2.193  1.00 13.05 ? 41  LYS A C   1 
ATOM   314  O  O   . LYS A 1 41  ? -21.043 1.733  -2.633  1.00 12.67 ? 41  LYS A O   1 
ATOM   315  C  CB  . LYS A 1 41  ? -19.363 4.233  -2.252  1.00 14.23 ? 41  LYS A CB  1 
ATOM   316  C  CG  . LYS A 1 41  ? -19.127 4.469  -0.776  1.00 13.98 ? 41  LYS A CG  1 
ATOM   317  C  CD  . LYS A 1 41  ? -19.967 5.560  -0.227  1.00 13.81 ? 41  LYS A CD  1 
ATOM   318  C  CE  . LYS A 1 41  ? -19.337 6.122  1.016   1.00 13.58 ? 41  LYS A CE  1 
ATOM   319  N  NZ  . LYS A 1 41  ? -20.377 6.621  1.925   1.00 13.60 ? 41  LYS A NZ  1 
ATOM   320  N  N   . PRO A 1 42  ? -19.466 0.883  -1.287  1.00 12.34 ? 42  PRO A N   1 
ATOM   321  C  CA  . PRO A 1 42  ? -20.232 -0.327 -0.996  1.00 11.98 ? 42  PRO A CA  1 
ATOM   322  C  C   . PRO A 1 42  ? -21.612 -0.050 -0.376  1.00 11.35 ? 42  PRO A C   1 
ATOM   323  O  O   . PRO A 1 42  ? -22.587 -0.653 -0.802  1.00 11.41 ? 42  PRO A O   1 
ATOM   324  C  CB  . PRO A 1 42  ? -19.356 -1.112 0.002   1.00 11.92 ? 42  PRO A CB  1 
ATOM   325  C  CG  . PRO A 1 42  ? -17.993 -0.466 -0.054  1.00 12.21 ? 42  PRO A CG  1 
ATOM   326  C  CD  . PRO A 1 42  ? -18.210 0.957  -0.524  1.00 12.21 ? 42  PRO A CD  1 
ATOM   327  N  N   . VAL A 1 43  ? -21.661 0.815  0.635   1.00 10.65 ? 43  VAL A N   1 
ATOM   328  C  CA  . VAL A 1 43  ? -22.894 1.083  1.426   1.00 10.15 ? 43  VAL A CA  1 
ATOM   329  C  C   . VAL A 1 43  ? -23.031 2.591  1.616   1.00 9.76  ? 43  VAL A C   1 
ATOM   330  O  O   . VAL A 1 43  ? -22.023 3.240  1.880   1.00 9.38  ? 43  VAL A O   1 
ATOM   331  C  CB  . VAL A 1 43  ? -22.848 0.355  2.781   1.00 10.27 ? 43  VAL A CB  1 
ATOM   332  C  CG1 . VAL A 1 43  ? -23.972 0.813  3.707   1.00 10.23 ? 43  VAL A CG1 1 
ATOM   333  C  CG2 . VAL A 1 43  ? -22.878 -1.153 2.583   1.00 10.23 ? 43  VAL A CG2 1 
ATOM   334  N  N   . ASN A 1 44  ? -24.261 3.072  1.540   1.00 9.15  ? 44  ASN A N   1 
ATOM   335  C  CA  . ASN A 1 44  ? -24.545 4.510  1.686   1.00 8.97  ? 44  ASN A CA  1 
ATOM   336  C  C   . ASN A 1 44  ? -26.019 4.729  2.029   1.00 8.42  ? 44  ASN A C   1 
ATOM   337  O  O   . ASN A 1 44  ? -26.878 4.225  1.306   1.00 9.24  ? 44  ASN A O   1 
ATOM   338  C  CB  . ASN A 1 44  ? -24.118 5.310  0.453   1.00 9.05  ? 44  ASN A CB  1 
ATOM   339  C  CG  . ASN A 1 44  ? -24.087 6.794  0.734   1.00 9.26  ? 44  ASN A CG  1 
ATOM   340  O  OD1 . ASN A 1 44  ? -23.227 7.267  1.480   1.00 9.86  ? 44  ASN A OD1 1 
ATOM   341  N  ND2 . ASN A 1 44  ? -25.021 7.539  0.168   1.00 8.72  ? 44  ASN A ND2 1 
ATOM   342  N  N   . THR A 1 45  ? -26.279 5.491  3.074   1.00 7.84  ? 45  THR A N   1 
ATOM   343  C  CA  . THR A 1 45  ? -27.649 5.883  3.457   1.00 7.52  ? 45  THR A CA  1 
ATOM   344  C  C   . THR A 1 45  ? -27.918 7.320  3.017   1.00 7.01  ? 45  THR A C   1 
ATOM   345  O  O   . THR A 1 45  ? -27.065 8.179  3.269   1.00 6.76  ? 45  THR A O   1 
ATOM   346  C  CB  . THR A 1 45  ? -27.849 5.654  4.956   1.00 7.58  ? 45  THR A CB  1 
ATOM   347  O  OG1 . THR A 1 45  ? -27.574 4.260  5.015   1.00 7.89  ? 45  THR A OG1 1 
ATOM   348  C  CG2 . THR A 1 45  ? -29.236 5.985  5.460   1.00 7.46  ? 45  THR A CG2 1 
ATOM   349  N  N   . PHE A 1 46  ? -29.066 7.539  2.373   1.00 6.70  ? 46  PHE A N   1 
ATOM   350  C  CA  . PHE A 1 46  ? -29.637 8.883  2.103   1.00 6.63  ? 46  PHE A CA  1 
ATOM   351  C  C   . PHE A 1 46  ? -30.771 9.168  3.099   1.00 6.68  ? 46  PHE A C   1 
ATOM   352  O  O   . PHE A 1 46  ? -31.582 8.254  3.374   1.00 6.52  ? 46  PHE A O   1 
ATOM   353  C  CB  . PHE A 1 46  ? -30.134 8.969  0.657   1.00 6.36  ? 46  PHE A CB  1 
ATOM   354  C  CG  . PHE A 1 46  ? -29.025 8.955  -0.358  1.00 6.24  ? 46  PHE A CG  1 
ATOM   355  C  CD1 . PHE A 1 46  ? -28.256 10.088 -0.569  1.00 6.08  ? 46  PHE A CD1 1 
ATOM   356  C  CD2 . PHE A 1 46  ? -28.720 7.802  -1.060  1.00 6.11  ? 46  PHE A CD2 1 
ATOM   357  C  CE1 . PHE A 1 46  ? -27.213 10.068 -1.478  1.00 6.22  ? 46  PHE A CE1 1 
ATOM   358  C  CE2 . PHE A 1 46  ? -27.682 7.784  -1.975  1.00 6.18  ? 46  PHE A CE2 1 
ATOM   359  C  CZ  . PHE A 1 46  ? -26.925 8.915  -2.183  1.00 6.28  ? 46  PHE A CZ  1 
ATOM   360  N  N   . VAL A 1 47  ? -30.843 10.408 3.596   1.00 6.90  ? 47  VAL A N   1 
ATOM   361  C  CA  . VAL A 1 47  ? -31.909 10.901 4.526   1.00 7.08  ? 47  VAL A CA  1 
ATOM   362  C  C   . VAL A 1 47  ? -32.835 11.869 3.774   1.00 7.31  ? 47  VAL A C   1 
ATOM   363  O  O   . VAL A 1 47  ? -32.348 12.913 3.255   1.00 7.32  ? 47  VAL A O   1 
ATOM   364  C  CB  . VAL A 1 47  ? -31.345 11.549 5.810   1.00 6.93  ? 47  VAL A CB  1 
ATOM   365  C  CG1 . VAL A 1 47  ? -32.452 11.946 6.790   1.00 6.78  ? 47  VAL A CG1 1 
ATOM   366  C  CG2 . VAL A 1 47  ? -30.339 10.643 6.502   1.00 6.86  ? 47  VAL A CG2 1 
ATOM   367  N  N   . HIS A 1 48  ? -34.131 11.526 3.750   1.00 7.40  ? 48  HIS A N   1 
ATOM   368  C  CA  . HIS A 1 48  ? -35.218 12.283 3.087   1.00 7.47  ? 48  HIS A CA  1 
ATOM   369  C  C   . HIS A 1 48  ? -35.889 13.159 4.140   1.00 7.61  ? 48  HIS A C   1 
ATOM   370  O  O   . HIS A 1 48  ? -37.048 12.869 4.509   1.00 7.81  ? 48  HIS A O   1 
ATOM   371  C  CB  . HIS A 1 48  ? -36.227 11.323 2.473   1.00 7.59  ? 48  HIS A CB  1 
ATOM   372  C  CG  . HIS A 1 48  ? -35.614 10.339 1.546   1.00 7.65  ? 48  HIS A CG  1 
ATOM   373  N  ND1 . HIS A 1 48  ? -35.339 10.654 0.245   1.00 7.77  ? 48  HIS A ND1 1 
ATOM   374  C  CD2 . HIS A 1 48  ? -35.252 9.051  1.725   1.00 7.66  ? 48  HIS A CD2 1 
ATOM   375  C  CE1 . HIS A 1 48  ? -34.843 9.599  -0.351  1.00 7.92  ? 48  HIS A CE1 1 
ATOM   376  N  NE2 . HIS A 1 48  ? -34.789 8.595  0.530   1.00 7.68  ? 48  HIS A NE2 1 
ATOM   377  N  N   . GLU A 1 49  ? -35.143 14.134 4.645   1.00 7.39  ? 49  GLU A N   1 
ATOM   378  C  CA  . GLU A 1 49  ? -35.588 15.112 5.663   1.00 7.52  ? 49  GLU A CA  1 
ATOM   379  C  C   . GLU A 1 49  ? -34.833 16.408 5.369   1.00 7.55  ? 49  GLU A C   1 
ATOM   380  O  O   . GLU A 1 49  ? -33.835 16.364 4.628   1.00 7.27  ? 49  GLU A O   1 
ATOM   381  C  CB  . GLU A 1 49  ? -35.302 14.637 7.094   1.00 7.36  ? 49  GLU A CB  1 
ATOM   382  C  CG  . GLU A 1 49  ? -35.862 13.264 7.448   1.00 7.22  ? 49  GLU A CG  1 
ATOM   383  C  CD  . GLU A 1 49  ? -37.379 13.129 7.491   1.00 7.33  ? 49  GLU A CD  1 
ATOM   384  O  OE1 . GLU A 1 49  ? -38.066 14.178 7.482   1.00 7.06  ? 49  GLU A OE1 1 
ATOM   385  O  OE2 . GLU A 1 49  ? -37.871 11.962 7.537   1.00 7.08  ? 49  GLU A OE2 1 
ATOM   386  N  N   . SER A 1 50  ? -35.306 17.522 5.911   1.00 7.52  ? 50  SER A N   1 
ATOM   387  C  CA  . SER A 1 50  ? -34.614 18.816 5.781   1.00 7.72  ? 50  SER A CA  1 
ATOM   388  C  C   . SER A 1 50  ? -33.213 18.676 6.398   1.00 7.86  ? 50  SER A C   1 
ATOM   389  O  O   . SER A 1 50  ? -33.067 17.963 7.427   1.00 8.08  ? 50  SER A O   1 
ATOM   390  C  CB  . SER A 1 50  ? -35.416 19.891 6.444   1.00 7.76  ? 50  SER A CB  1 
ATOM   391  O  OG  . SER A 1 50  ? -35.427 19.692 7.846   1.00 7.77  ? 50  SER A OG  1 
ATOM   392  N  N   . LEU A 1 51  ? -32.230 19.360 5.817   1.00 7.92  ? 51  LEU A N   1 
ATOM   393  C  CA  . LEU A 1 51  ? -30.888 19.557 6.412   1.00 7.85  ? 51  LEU A CA  1 
ATOM   394  C  C   . LEU A 1 51  ? -31.022 20.032 7.867   1.00 7.76  ? 51  LEU A C   1 
ATOM   395  O  O   . LEU A 1 51  ? -30.325 19.478 8.729   1.00 7.65  ? 51  LEU A O   1 
ATOM   396  C  CB  . LEU A 1 51  ? -30.116 20.559 5.560   1.00 7.75  ? 51  LEU A CB  1 
ATOM   397  C  CG  . LEU A 1 51  ? -28.714 20.913 6.054   1.00 8.07  ? 51  LEU A CG  1 
ATOM   398  C  CD1 . LEU A 1 51  ? -27.898 19.685 6.443   1.00 7.94  ? 51  LEU A CD1 1 
ATOM   399  C  CD2 . LEU A 1 51  ? -27.974 21.713 4.998   1.00 8.27  ? 51  LEU A CD2 1 
ATOM   400  N  N   . ALA A 1 52  ? -31.872 21.019 8.136   1.00 7.90  ? 52  ALA A N   1 
ATOM   401  C  CA  . ALA A 1 52  ? -32.109 21.558 9.499   1.00 7.98  ? 52  ALA A CA  1 
ATOM   402  C  C   . ALA A 1 52  ? -32.557 20.432 10.446  1.00 8.05  ? 52  ALA A C   1 
ATOM   403  O  O   . ALA A 1 52  ? -31.983 20.324 11.533  1.00 8.05  ? 52  ALA A O   1 
ATOM   404  C  CB  . ALA A 1 52  ? -33.098 22.690 9.454   1.00 7.89  ? 52  ALA A CB  1 
ATOM   405  N  N   . ASP A 1 53  ? -33.494 19.577 10.035  1.00 8.17  ? 53  ASP A N   1 
ATOM   406  C  CA  . ASP A 1 53  ? -33.960 18.415 10.850  1.00 8.25  ? 53  ASP A CA  1 
ATOM   407  C  C   . ASP A 1 53  ? -32.796 17.449 11.126  1.00 8.20  ? 53  ASP A C   1 
ATOM   408  O  O   . ASP A 1 53  ? -32.700 16.898 12.249  1.00 7.56  ? 53  ASP A O   1 
ATOM   409  C  CB  . ASP A 1 53  ? -35.110 17.656 10.178  1.00 8.38  ? 53  ASP A CB  1 
ATOM   410  C  CG  . ASP A 1 53  ? -36.491 18.224 10.486  1.00 8.45  ? 53  ASP A CG  1 
ATOM   411  O  OD1 . ASP A 1 53  ? -36.548 19.360 10.921  1.00 8.17  ? 53  ASP A OD1 1 
ATOM   412  O  OD2 . ASP A 1 53  ? -37.499 17.498 10.289  1.00 8.76  ? 53  ASP A OD2 1 
ATOM   413  N  N   . VAL A 1 54  ? -31.937 17.218 10.137  1.00 8.12  ? 54  VAL A N   1 
ATOM   414  C  CA  . VAL A 1 54  ? -30.771 16.308 10.316  1.00 8.10  ? 54  VAL A CA  1 
ATOM   415  C  C   . VAL A 1 54  ? -29.716 16.988 11.195  1.00 8.30  ? 54  VAL A C   1 
ATOM   416  O  O   . VAL A 1 54  ? -29.155 16.291 12.050  1.00 8.66  ? 54  VAL A O   1 
ATOM   417  C  CB  . VAL A 1 54  ? -30.220 15.842 8.954   1.00 7.90  ? 54  VAL A CB  1 
ATOM   418  C  CG1 . VAL A 1 54  ? -28.885 15.125 9.080   1.00 7.67  ? 54  VAL A CG1 1 
ATOM   419  C  CG2 . VAL A 1 54  ? -31.239 14.952 8.269   1.00 7.77  ? 54  VAL A CG2 1 
ATOM   420  N  N   . GLN A 1 55  ? -29.447 18.283 11.016  1.00 8.36  ? 55  GLN A N   1 
ATOM   421  C  CA  . GLN A 1 55  ? -28.481 19.009 11.878  1.00 8.53  ? 55  GLN A CA  1 
ATOM   422  C  C   . GLN A 1 55  ? -28.953 18.931 13.334  1.00 8.68  ? 55  GLN A C   1 
ATOM   423  O  O   . GLN A 1 55  ? -28.105 18.660 14.189  1.00 8.77  ? 55  GLN A O   1 
ATOM   424  C  CB  . GLN A 1 55  ? -28.288 20.435 11.368  1.00 8.58  ? 55  GLN A CB  1 
ATOM   425  C  CG  . GLN A 1 55  ? -27.501 20.468 10.068  1.00 8.65  ? 55  GLN A CG  1 
ATOM   426  C  CD  . GLN A 1 55  ? -27.543 21.804 9.367   1.00 8.83  ? 55  GLN A CD  1 
ATOM   427  O  OE1 . GLN A 1 55  ? -28.491 22.565 9.498   1.00 9.49  ? 55  GLN A OE1 1 
ATOM   428  N  NE2 . GLN A 1 55  ? -26.531 22.088 8.569   1.00 8.51  ? 55  GLN A NE2 1 
ATOM   429  N  N   . ALA A 1 56  ? -30.257 19.121 13.583  1.00 8.68  ? 56  ALA A N   1 
ATOM   430  C  CA  . ALA A 1 56  ? -30.921 19.110 14.913  1.00 8.69  ? 56  ALA A CA  1 
ATOM   431  C  C   . ALA A 1 56  ? -30.568 17.842 15.699  1.00 8.79  ? 56  ALA A C   1 
ATOM   432  O  O   . ALA A 1 56  ? -30.539 17.896 16.920  1.00 8.66  ? 56  ALA A O   1 
ATOM   433  C  CB  . ALA A 1 56  ? -32.419 19.198 14.748  1.00 8.59  ? 56  ALA A CB  1 
ATOM   434  N  N   . VAL A 1 57  ? -30.337 16.723 15.019  1.00 9.32  ? 57  VAL A N   1 
ATOM   435  C  CA  . VAL A 1 57  ? -30.064 15.407 15.671  1.00 9.53  ? 57  VAL A CA  1 
ATOM   436  C  C   . VAL A 1 57  ? -28.793 15.523 16.519  1.00 9.80  ? 57  VAL A C   1 
ATOM   437  O  O   . VAL A 1 57  ? -28.647 14.753 17.472  1.00 10.14 ? 57  VAL A O   1 
ATOM   438  C  CB  . VAL A 1 57  ? -29.975 14.284 14.625  1.00 9.49  ? 57  VAL A CB  1 
ATOM   439  C  CG1 . VAL A 1 57  ? -29.396 12.992 15.202  1.00 9.56  ? 57  VAL A CG1 1 
ATOM   440  C  CG2 . VAL A 1 57  ? -31.335 14.033 14.003  1.00 9.37  ? 57  VAL A CG2 1 
ATOM   441  N  N   . CYS A 1 58  ? -27.926 16.485 16.216  1.00 10.22 ? 58  CYS A N   1 
ATOM   442  C  CA  . CYS A 1 58  ? -26.655 16.712 16.952  1.00 10.47 ? 58  CYS A CA  1 
ATOM   443  C  C   . CYS A 1 58  ? -26.884 17.210 18.376  1.00 10.37 ? 58  CYS A C   1 
ATOM   444  O  O   . CYS A 1 58  ? -25.910 17.268 19.113  1.00 10.24 ? 58  CYS A O   1 
ATOM   445  C  CB  . CYS A 1 58  ? -25.782 17.729 16.246  1.00 10.47 ? 58  CYS A CB  1 
ATOM   446  S  SG  . CYS A 1 58  ? -25.021 17.043 14.766  1.00 10.87 ? 58  CYS A SG  1 
ATOM   447  N  N   . SER A 1 59  ? -28.103 17.587 18.740  1.00 11.17 ? 59  SER A N   1 
ATOM   448  C  CA  . SER A 1 59  ? -28.426 17.982 20.140  1.00 11.48 ? 59  SER A CA  1 
ATOM   449  C  C   . SER A 1 59  ? -29.549 17.098 20.688  1.00 11.08 ? 59  SER A C   1 
ATOM   450  O  O   . SER A 1 59  ? -30.162 17.473 21.735  1.00 11.28 ? 59  SER A O   1 
ATOM   451  C  CB  . SER A 1 59  ? -28.737 19.449 20.238  1.00 11.69 ? 59  SER A CB  1 
ATOM   452  O  OG  . SER A 1 59  ? -29.838 19.787 19.417  1.00 12.83 ? 59  SER A OG  1 
ATOM   453  N  N   . GLN A 1 60  ? -29.755 15.943 20.052  1.00 10.63 ? 60  GLN A N   1 
ATOM   454  C  CA  . GLN A 1 60  ? -30.699 14.888 20.509  1.00 10.67 ? 60  GLN A CA  1 
ATOM   455  C  C   . GLN A 1 60  ? -29.918 13.844 21.324  1.00 10.92 ? 60  GLN A C   1 
ATOM   456  O  O   . GLN A 1 60  ? -29.074 14.232 22.132  1.00 10.51 ? 60  GLN A O   1 
ATOM   457  C  CB  . GLN A 1 60  ? -31.472 14.349 19.308  1.00 10.12 ? 60  GLN A CB  1 
ATOM   458  C  CG  . GLN A 1 60  ? -32.234 15.466 18.611  1.00 10.11 ? 60  GLN A CG  1 
ATOM   459  C  CD  . GLN A 1 60  ? -33.183 15.054 17.510  1.00 10.00 ? 60  GLN A CD  1 
ATOM   460  O  OE1 . GLN A 1 60  ? -33.420 13.876 17.241  1.00 9.68  ? 60  GLN A OE1 1 
ATOM   461  N  NE2 . GLN A 1 60  ? -33.730 16.060 16.841  1.00 9.91  ? 60  GLN A NE2 1 
ATOM   462  N  N   . LYS A 1 61  ? -30.225 12.560 21.157  1.00 11.61 ? 61  LYS A N   1 
ATOM   463  C  CA  . LYS A 1 61  ? -29.808 11.507 22.116  1.00 11.93 ? 61  LYS A CA  1 
ATOM   464  C  C   . LYS A 1 61  ? -28.323 11.166 21.918  1.00 12.38 ? 61  LYS A C   1 
ATOM   465  O  O   . LYS A 1 61  ? -27.992 10.476 20.943  1.00 12.19 ? 61  LYS A O   1 
ATOM   466  C  CB  . LYS A 1 61  ? -30.679 10.260 21.945  1.00 11.42 ? 61  LYS A CB  1 
ATOM   467  C  CG  . LYS A 1 61  ? -30.470 9.218  23.029  1.00 11.13 ? 61  LYS A CG  1 
ATOM   468  C  CD  . LYS A 1 61  ? -30.927 9.703  24.378  1.00 10.72 ? 61  LYS A CD  1 
ATOM   469  C  CE  . LYS A 1 61  ? -30.760 8.648  25.447  1.00 10.48 ? 61  LYS A CE  1 
ATOM   470  N  NZ  . LYS A 1 61  ? -31.412 9.068  26.698  1.00 10.11 ? 61  LYS A NZ  1 
ATOM   471  N  N   . ASN A 1 62  ? -27.512 11.486 22.917  1.00 13.15 ? 62  ASN A N   1 
ATOM   472  C  CA  . ASN A 1 62  ? -26.061 11.191 22.857  1.00 13.35 ? 62  ASN A CA  1 
ATOM   473  C  C   . ASN A 1 62  ? -25.876 9.691  23.067  1.00 13.50 ? 62  ASN A C   1 
ATOM   474  O  O   . ASN A 1 62  ? -26.351 9.215  24.093  1.00 13.70 ? 62  ASN A O   1 
ATOM   475  C  CB  . ASN A 1 62  ? -25.213 12.061 23.775  1.00 13.21 ? 62  ASN A CB  1 
ATOM   476  C  CG  . ASN A 1 62  ? -23.735 11.763 23.686  1.00 13.38 ? 62  ASN A CG  1 
ATOM   477  O  OD1 . ASN A 1 62  ? -23.069 11.642 24.717  1.00 13.40 ? 62  ASN A OD1 1 
ATOM   478  N  ND2 . ASN A 1 62  ? -23.200 11.650 22.481  1.00 14.18 ? 62  ASN A ND2 1 
ATOM   479  N  N   . VAL A 1 63  ? -25.289 9.018  22.079  1.00 13.58 ? 63  VAL A N   1 
ATOM   480  C  CA  . VAL A 1 63  ? -25.025 7.548  22.136  1.00 13.71 ? 63  VAL A CA  1 
ATOM   481  C  C   . VAL A 1 63  ? -23.610 7.243  21.624  1.00 14.49 ? 63  VAL A C   1 
ATOM   482  O  O   . VAL A 1 63  ? -23.039 8.052  20.871  1.00 13.92 ? 63  VAL A O   1 
ATOM   483  C  CB  . VAL A 1 63  ? -26.067 6.732  21.343  1.00 14.03 ? 63  VAL A CB  1 
ATOM   484  C  CG1 . VAL A 1 63  ? -27.465 6.878  21.921  1.00 14.12 ? 63  VAL A CG1 1 
ATOM   485  C  CG2 . VAL A 1 63  ? -26.060 7.054  19.851  1.00 14.01 ? 63  VAL A CG2 1 
ATOM   486  N  N   . ALA A 1 64  ? -23.064 6.076  21.978  1.00 15.38 ? 64  ALA A N   1 
ATOM   487  C  CA  . ALA A 1 64  ? -21.750 5.618  21.469  1.00 16.31 ? 64  ALA A CA  1 
ATOM   488  C  C   . ALA A 1 64  ? -21.846 5.357  19.955  1.00 17.08 ? 64  ALA A C   1 
ATOM   489  O  O   . ALA A 1 64  ? -22.828 4.688  19.529  1.00 16.63 ? 64  ALA A O   1 
ATOM   490  C  CB  . ALA A 1 64  ? -21.285 4.390  22.214  1.00 15.99 ? 64  ALA A CB  1 
ATOM   491  N  N   . CYS A 1 65  ? -20.868 5.883  19.198  1.00 17.50 ? 65  CYS A N   1 
ATOM   492  C  CA  . CYS A 1 65  ? -20.489 5.473  17.819  1.00 19.22 ? 65  CYS A CA  1 
ATOM   493  C  C   . CYS A 1 65  ? -19.960 4.038  17.873  1.00 21.32 ? 65  CYS A C   1 
ATOM   494  O  O   . CYS A 1 65  ? -19.385 3.672  18.899  1.00 22.20 ? 65  CYS A O   1 
ATOM   495  C  CB  . CYS A 1 65  ? -19.419 6.400  17.248  1.00 17.97 ? 65  CYS A CB  1 
ATOM   496  S  SG  . CYS A 1 65  ? -19.807 8.166  17.398  1.00 16.85 ? 65  CYS A SG  1 
ATOM   497  N  N   . LYS A 1 66  ? -20.151 3.236  16.829  1.00 25.71 ? 66  LYS A N   1 
ATOM   498  C  CA  . LYS A 1 66  ? -19.832 1.785  16.926  1.00 28.91 ? 66  LYS A CA  1 
ATOM   499  C  C   . LYS A 1 66  ? -18.314 1.576  16.891  1.00 25.93 ? 66  LYS A C   1 
ATOM   500  O  O   . LYS A 1 66  ? -17.900 0.464  17.218  1.00 26.07 ? 66  LYS A O   1 
ATOM   501  C  CB  . LYS A 1 66  ? -20.600 0.946  15.902  1.00 32.37 ? 66  LYS A CB  1 
ATOM   502  C  CG  . LYS A 1 66  ? -20.158 1.027  14.458  1.00 36.70 ? 66  LYS A CG  1 
ATOM   503  C  CD  . LYS A 1 66  ? -21.251 0.470  13.573  1.00 42.21 ? 66  LYS A CD  1 
ATOM   504  C  CE  . LYS A 1 66  ? -20.914 0.473  12.098  1.00 47.75 ? 66  LYS A CE  1 
ATOM   505  N  NZ  . LYS A 1 66  ? -20.610 1.835  11.595  1.00 48.42 ? 66  LYS A NZ  1 
ATOM   506  N  N   . ASN A 1 67  ? -17.540 2.623  16.589  1.00 22.50 ? 67  ASN A N   1 
ATOM   507  C  CA  . ASN A 1 67  ? -16.067 2.685  16.789  1.00 20.90 ? 67  ASN A CA  1 
ATOM   508  C  C   . ASN A 1 67  ? -15.731 3.068  18.245  1.00 19.88 ? 67  ASN A C   1 
ATOM   509  O  O   . ASN A 1 67  ? -14.561 3.311  18.526  1.00 20.59 ? 67  ASN A O   1 
ATOM   510  C  CB  . ASN A 1 67  ? -15.441 3.695  15.828  1.00 19.93 ? 67  ASN A CB  1 
ATOM   511  C  CG  . ASN A 1 67  ? -15.754 5.111  16.252  1.00 19.57 ? 67  ASN A CG  1 
ATOM   512  O  OD1 . ASN A 1 67  ? -16.450 5.324  17.236  1.00 19.48 ? 67  ASN A OD1 1 
ATOM   513  N  ND2 . ASN A 1 67  ? -15.218 6.087  15.554  1.00 19.26 ? 67  ASN A ND2 1 
ATOM   514  N  N   . GLY A 1 68  ? -16.719 3.188  19.127  1.00 19.29 ? 68  GLY A N   1 
ATOM   515  C  CA  . GLY A 1 68  ? -16.527 3.473  20.562  1.00 19.03 ? 68  GLY A CA  1 
ATOM   516  C  C   . GLY A 1 68  ? -16.356 4.954  20.867  1.00 20.08 ? 68  GLY A C   1 
ATOM   517  O  O   . GLY A 1 68  ? -16.212 5.285  22.050  1.00 19.16 ? 68  GLY A O   1 
ATOM   518  N  N   . GLN A 1 69  ? -16.382 5.837  19.867  1.00 21.17 ? 69  GLN A N   1 
ATOM   519  C  CA  . GLN A 1 69  ? -16.327 7.308  20.103  1.00 22.54 ? 69  GLN A CA  1 
ATOM   520  C  C   . GLN A 1 69  ? -17.673 7.763  20.656  1.00 21.05 ? 69  GLN A C   1 
ATOM   521  O  O   . GLN A 1 69  ? -18.649 7.025  20.477  1.00 20.41 ? 69  GLN A O   1 
ATOM   522  C  CB  . GLN A 1 69  ? -15.955 8.061  18.833  1.00 24.64 ? 69  GLN A CB  1 
ATOM   523  C  CG  . GLN A 1 69  ? -14.458 8.289  18.746  1.00 26.87 ? 69  GLN A CG  1 
ATOM   524  C  CD  . GLN A 1 69  ? -14.021 8.584  17.336  1.00 30.28 ? 69  GLN A CD  1 
ATOM   525  O  OE1 . GLN A 1 69  ? -14.832 8.774  16.430  1.00 31.23 ? 69  GLN A OE1 1 
ATOM   526  N  NE2 . GLN A 1 69  ? -12.714 8.623  17.148  1.00 32.33 ? 69  GLN A NE2 1 
ATOM   527  N  N   . THR A 1 70  ? -17.715 8.923  21.313  1.00 20.54 ? 70  THR A N   1 
ATOM   528  C  CA  . THR A 1 70  ? -18.885 9.361  22.128  1.00 19.73 ? 70  THR A CA  1 
ATOM   529  C  C   . THR A 1 70  ? -19.567 10.604 21.535  1.00 17.90 ? 70  THR A C   1 
ATOM   530  O  O   . THR A 1 70  ? -20.470 11.132 22.195  1.00 18.67 ? 70  THR A O   1 
ATOM   531  C  CB  . THR A 1 70  ? -18.464 9.556  23.593  1.00 20.31 ? 70  THR A CB  1 
ATOM   532  O  OG1 . THR A 1 70  ? -17.309 10.391 23.616  1.00 20.21 ? 70  THR A OG1 1 
ATOM   533  C  CG2 . THR A 1 70  ? -18.160 8.247  24.295  1.00 20.69 ? 70  THR A CG2 1 
ATOM   534  N  N   . ASN A 1 71  ? -19.209 11.017 20.318  1.00 16.39 ? 71  ASN A N   1 
ATOM   535  C  CA  . ASN A 1 71  ? -19.788 12.209 19.641  1.00 15.25 ? 71  ASN A CA  1 
ATOM   536  C  C   . ASN A 1 71  ? -20.912 11.808 18.675  1.00 14.52 ? 71  ASN A C   1 
ATOM   537  O  O   . ASN A 1 71  ? -21.126 12.562 17.723  1.00 13.17 ? 71  ASN A O   1 
ATOM   538  C  CB  . ASN A 1 71  ? -18.711 12.982 18.875  1.00 15.33 ? 71  ASN A CB  1 
ATOM   539  C  CG  . ASN A 1 71  ? -18.089 12.161 17.767  1.00 15.49 ? 71  ASN A CG  1 
ATOM   540  O  OD1 . ASN A 1 71  ? -17.902 10.947 17.906  1.00 16.24 ? 71  ASN A OD1 1 
ATOM   541  N  ND2 . ASN A 1 71  ? -17.783 12.805 16.658  1.00 15.34 ? 71  ASN A ND2 1 
ATOM   542  N  N   . CYS A 1 72  ? -21.607 10.685 18.914  1.00 14.11 ? 72  CYS A N   1 
ATOM   543  C  CA  . CYS A 1 72  ? -22.753 10.200 18.098  1.00 14.01 ? 72  CYS A CA  1 
ATOM   544  C  C   . CYS A 1 72  ? -24.072 10.514 18.805  1.00 13.68 ? 72  CYS A C   1 
ATOM   545  O  O   . CYS A 1 72  ? -24.090 10.574 20.044  1.00 14.24 ? 72  CYS A O   1 
ATOM   546  C  CB  . CYS A 1 72  ? -22.660 8.719  17.774  1.00 14.31 ? 72  CYS A CB  1 
ATOM   547  S  SG  . CYS A 1 72  ? -21.531 8.373  16.397  1.00 15.26 ? 72  CYS A SG  1 
ATOM   548  N  N   . TYR A 1 73  ? -25.104 10.778 18.007  1.00 13.39 ? 73  TYR A N   1 
ATOM   549  C  CA  . TYR A 1 73  ? -26.472 11.145 18.436  1.00 13.25 ? 73  TYR A CA  1 
ATOM   550  C  C   . TYR A 1 73  ? -27.473 10.324 17.624  1.00 12.60 ? 73  TYR A C   1 
ATOM   551  O  O   . TYR A 1 73  ? -27.266 10.155 16.400  1.00 11.96 ? 73  TYR A O   1 
ATOM   552  C  CB  . TYR A 1 73  ? -26.679 12.652 18.278  1.00 13.77 ? 73  TYR A CB  1 
ATOM   553  C  CG  . TYR A 1 73  ? -25.718 13.445 19.114  1.00 14.43 ? 73  TYR A CG  1 
ATOM   554  C  CD1 . TYR A 1 73  ? -24.430 13.674 18.666  1.00 14.90 ? 73  TYR A CD1 1 
ATOM   555  C  CD2 . TYR A 1 73  ? -26.059 13.858 20.395  1.00 14.73 ? 73  TYR A CD2 1 
ATOM   556  C  CE1 . TYR A 1 73  ? -23.512 14.350 19.448  1.00 15.72 ? 73  TYR A CE1 1 
ATOM   557  C  CE2 . TYR A 1 73  ? -25.155 14.542 21.187  1.00 15.73 ? 73  TYR A CE2 1 
ATOM   558  C  CZ  . TYR A 1 73  ? -23.880 14.790 20.708  1.00 16.42 ? 73  TYR A CZ  1 
ATOM   559  O  OH  . TYR A 1 73  ? -22.975 15.459 21.473  1.00 18.27 ? 73  TYR A OH  1 
ATOM   560  N  N   . GLN A 1 74  ? -28.489 9.800  18.307  1.00 12.01 ? 74  GLN A N   1 
ATOM   561  C  CA  . GLN A 1 74  ? -29.632 9.080  17.697  1.00 12.31 ? 74  GLN A CA  1 
ATOM   562  C  C   . GLN A 1 74  ? -30.805 10.061 17.621  1.00 11.81 ? 74  GLN A C   1 
ATOM   563  O  O   . GLN A 1 74  ? -31.054 10.765 18.635  1.00 11.73 ? 74  GLN A O   1 
ATOM   564  C  CB  . GLN A 1 74  ? -29.983 7.833  18.513  1.00 12.98 ? 74  GLN A CB  1 
ATOM   565  C  CG  . GLN A 1 74  ? -31.176 7.058  17.957  1.00 13.84 ? 74  GLN A CG  1 
ATOM   566  C  CD  . GLN A 1 74  ? -31.303 5.644  18.474  1.00 15.10 ? 74  GLN A CD  1 
ATOM   567  O  OE1 . GLN A 1 74  ? -32.408 5.119  18.618  1.00 17.46 ? 74  GLN A OE1 1 
ATOM   568  N  NE2 . GLN A 1 74  ? -30.179 5.006  18.763  1.00 15.52 ? 74  GLN A NE2 1 
ATOM   569  N  N   . SER A 1 75  ? -31.477 10.132 16.470  1.00 11.18 ? 75  SER A N   1 
ATOM   570  C  CA  . SER A 1 75  ? -32.679 10.984 16.263  1.00 11.03 ? 75  SER A CA  1 
ATOM   571  C  C   . SER A 1 75  ? -33.774 10.489 17.199  1.00 11.10 ? 75  SER A C   1 
ATOM   572  O  O   . SER A 1 75  ? -33.965 9.248  17.291  1.00 10.59 ? 75  SER A O   1 
ATOM   573  C  CB  . SER A 1 75  ? -33.148 10.967 14.831  1.00 10.56 ? 75  SER A CB  1 
ATOM   574  O  OG  . SER A 1 75  ? -33.389 9.636  14.401  1.00 10.11 ? 75  SER A OG  1 
ATOM   575  N  N   . TYR A 1 76  ? -34.453 11.412 17.875  1.00 11.66 ? 76  TYR A N   1 
ATOM   576  C  CA  . TYR A 1 76  ? -35.603 11.099 18.764  1.00 11.90 ? 76  TYR A CA  1 
ATOM   577  C  C   . TYR A 1 76  ? -36.738 10.471 17.944  1.00 12.13 ? 76  TYR A C   1 
ATOM   578  O  O   . TYR A 1 76  ? -37.380 9.537  18.439  1.00 12.27 ? 76  TYR A O   1 
ATOM   579  C  CB  . TYR A 1 76  ? -36.107 12.360 19.458  1.00 11.98 ? 76  TYR A CB  1 
ATOM   580  C  CG  . TYR A 1 76  ? -35.188 12.980 20.479  1.00 11.79 ? 76  TYR A CG  1 
ATOM   581  C  CD1 . TYR A 1 76  ? -34.418 12.209 21.334  1.00 11.74 ? 76  TYR A CD1 1 
ATOM   582  C  CD2 . TYR A 1 76  ? -35.150 14.355 20.633  1.00 11.62 ? 76  TYR A CD2 1 
ATOM   583  C  CE1 . TYR A 1 76  ? -33.611 12.791 22.301  1.00 11.69 ? 76  TYR A CE1 1 
ATOM   584  C  CE2 . TYR A 1 76  ? -34.338 14.951 21.579  1.00 12.09 ? 76  TYR A CE2 1 
ATOM   585  C  CZ  . TYR A 1 76  ? -33.578 14.168 22.432  1.00 11.77 ? 76  TYR A CZ  1 
ATOM   586  O  OH  . TYR A 1 76  ? -32.793 14.771 23.382  1.00 12.30 ? 76  TYR A OH  1 
ATOM   587  N  N   . SER A 1 77  ? -37.008 10.963 16.734  1.00 11.99 ? 77  SER A N   1 
ATOM   588  C  CA  . SER A 1 77  ? -38.088 10.390 15.887  1.00 12.66 ? 77  SER A CA  1 
ATOM   589  C  C   . SER A 1 77  ? -37.471 9.547  14.776  1.00 12.04 ? 77  SER A C   1 
ATOM   590  O  O   . SER A 1 77  ? -36.263 9.625  14.584  1.00 12.36 ? 77  SER A O   1 
ATOM   591  C  CB  . SER A 1 77  ? -38.971 11.458 15.316  1.00 13.60 ? 77  SER A CB  1 
ATOM   592  O  OG  . SER A 1 77  ? -38.224 12.239 14.405  1.00 15.17 ? 77  SER A OG  1 
ATOM   593  N  N   . THR A 1 78  ? -38.285 8.751  14.089  1.00 11.68 ? 78  THR A N   1 
ATOM   594  C  CA  . THR A 1 78  ? -37.869 8.023  12.868  1.00 11.16 ? 78  THR A CA  1 
ATOM   595  C  C   . THR A 1 78  ? -37.769 9.063  11.754  1.00 10.65 ? 78  THR A C   1 
ATOM   596  O  O   . THR A 1 78  ? -38.324 10.163 11.927  1.00 11.07 ? 78  THR A O   1 
ATOM   597  C  CB  . THR A 1 78  ? -38.842 6.908  12.477  1.00 11.15 ? 78  THR A CB  1 
ATOM   598  O  OG1 . THR A 1 78  ? -40.098 7.554  12.306  1.00 12.11 ? 78  THR A OG1 1 
ATOM   599  C  CG2 . THR A 1 78  ? -38.950 5.795  13.492  1.00 11.32 ? 78  THR A CG2 1 
ATOM   600  N  N   . MET A 1 79  ? -37.089 8.715  10.669  1.00 9.55  ? 79  MET A N   1 
ATOM   601  C  CA  . MET A 1 79  ? -36.851 9.614  9.525   1.00 9.25  ? 79  MET A CA  1 
ATOM   602  C  C   . MET A 1 79  ? -36.919 8.778  8.252   1.00 8.88  ? 79  MET A C   1 
ATOM   603  O  O   . MET A 1 79  ? -36.621 7.577  8.331   1.00 8.89  ? 79  MET A O   1 
ATOM   604  C  CB  . MET A 1 79  ? -35.475 10.265 9.647   1.00 9.33  ? 79  MET A CB  1 
ATOM   605  C  CG  . MET A 1 79  ? -35.412 11.431 10.601  1.00 9.18  ? 79  MET A CG  1 
ATOM   606  S  SD  . MET A 1 79  ? -33.767 12.201 10.538  1.00 9.36  ? 79  MET A SD  1 
ATOM   607  C  CE  . MET A 1 79  ? -33.930 13.481 11.782  1.00 9.42  ? 79  MET A CE  1 
ATOM   608  N  N   . SER A 1 80  ? -37.372 9.351  7.141   1.00 8.65  ? 80  SER A N   1 
ATOM   609  C  CA  . SER A 1 80  ? -37.426 8.619  5.846   1.00 8.43  ? 80  SER A CA  1 
ATOM   610  C  C   . SER A 1 80  ? -35.991 8.464  5.350   1.00 8.44  ? 80  SER A C   1 
ATOM   611  O  O   . SER A 1 80  ? -35.277 9.488  5.268   1.00 8.39  ? 80  SER A O   1 
ATOM   612  C  CB  . SER A 1 80  ? -38.310 9.286  4.842   1.00 8.19  ? 80  SER A CB  1 
ATOM   613  O  OG  . SER A 1 80  ? -38.080 8.726  3.559   1.00 8.31  ? 80  SER A OG  1 
ATOM   614  N  N   . ILE A 1 81  ? -35.539 7.233  5.131   1.00 8.84  ? 81  ILE A N   1 
ATOM   615  C  CA  . ILE A 1 81  ? -34.142 6.968  4.685   1.00 9.67  ? 81  ILE A CA  1 
ATOM   616  C  C   . ILE A 1 81  ? -34.154 5.955  3.531   1.00 9.60  ? 81  ILE A C   1 
ATOM   617  O  O   . ILE A 1 81  ? -35.161 5.237  3.350   1.00 9.88  ? 81  ILE A O   1 
ATOM   618  C  CB  . ILE A 1 81  ? -33.226 6.552  5.861   1.00 10.57 ? 81  ILE A CB  1 
ATOM   619  C  CG1 . ILE A 1 81  ? -33.481 5.123  6.339   1.00 11.37 ? 81  ILE A CG1 1 
ATOM   620  C  CG2 . ILE A 1 81  ? -33.319 7.548  7.016   1.00 10.84 ? 81  ILE A CG2 1 
ATOM   621  C  CD1 . ILE A 1 81  ? -32.377 4.159  5.952   1.00 12.10 ? 81  ILE A CD1 1 
ATOM   622  N  N   . THR A 1 82  ? -33.093 5.935  2.739   1.00 9.01  ? 82  THR A N   1 
ATOM   623  C  CA  . THR A 1 82  ? -32.870 4.885  1.722   1.00 9.21  ? 82  THR A CA  1 
ATOM   624  C  C   . THR A 1 82  ? -31.478 4.300  1.968   1.00 9.64  ? 82  THR A C   1 
ATOM   625  O  O   . THR A 1 82  ? -30.532 5.106  2.053   1.00 9.34  ? 82  THR A O   1 
ATOM   626  C  CB  . THR A 1 82  ? -33.051 5.429  0.297   1.00 8.65  ? 82  THR A CB  1 
ATOM   627  O  OG1 . THR A 1 82  ? -34.322 6.073  0.194   1.00 7.90  ? 82  THR A OG1 1 
ATOM   628  C  CG2 . THR A 1 82  ? -32.896 4.341  -0.743  1.00 8.27  ? 82  THR A CG2 1 
ATOM   629  N  N   . ASP A 1 83  ? -31.393 2.974  2.142   1.00 10.67 ? 83  ASP A N   1 
ATOM   630  C  CA  . ASP A 1 83  ? -30.128 2.195  2.172   1.00 11.65 ? 83  ASP A CA  1 
ATOM   631  C  C   . ASP A 1 83  ? -29.747 1.883  0.728   1.00 11.18 ? 83  ASP A C   1 
ATOM   632  O  O   . ASP A 1 83  ? -30.595 1.313  0.019   1.00 10.47 ? 83  ASP A O   1 
ATOM   633  C  CB  . ASP A 1 83  ? -30.277 0.878  2.942   1.00 13.87 ? 83  ASP A CB  1 
ATOM   634  C  CG  . ASP A 1 83  ? -29.004 0.027  3.047   1.00 15.87 ? 83  ASP A CG  1 
ATOM   635  O  OD1 . ASP A 1 83  ? -27.973 0.550  3.532   1.00 17.21 ? 83  ASP A OD1 1 
ATOM   636  O  OD2 . ASP A 1 83  ? -29.049 -1.171 2.615   1.00 18.18 ? 83  ASP A OD2 1 
ATOM   637  N  N   . CYS A 1 84  ? -28.536 2.264  0.319   1.00 10.99 ? 84  CYS A N   1 
ATOM   638  C  CA  . CYS A 1 84  ? -27.908 1.856  -0.961  1.00 11.26 ? 84  CYS A CA  1 
ATOM   639  C  C   . CYS A 1 84  ? -26.734 0.933  -0.651  1.00 12.07 ? 84  CYS A C   1 
ATOM   640  O  O   . CYS A 1 84  ? -25.877 1.305  0.174   1.00 12.24 ? 84  CYS A O   1 
ATOM   641  C  CB  . CYS A 1 84  ? -27.449 3.055  -1.772  1.00 11.06 ? 84  CYS A CB  1 
ATOM   642  S  SG  . CYS A 1 84  ? -28.794 4.215  -2.100  1.00 10.73 ? 84  CYS A SG  1 
ATOM   643  N  N   . ARG A 1 85  ? -26.758 -0.250 -1.255  1.00 13.04 ? 85  ARG A N   1 
ATOM   644  C  CA  . ARG A 1 85  ? -25.776 -1.338 -1.068  1.00 13.83 ? 85  ARG A CA  1 
ATOM   645  C  C   . ARG A 1 85  ? -25.555 -2.013 -2.410  1.00 14.21 ? 85  ARG A C   1 
ATOM   646  O  O   . ARG A 1 85  ? -26.551 -2.389 -3.029  1.00 13.56 ? 85  ARG A O   1 
ATOM   647  C  CB  . ARG A 1 85  ? -26.303 -2.416 -0.123  1.00 14.83 ? 85  ARG A CB  1 
ATOM   648  C  CG  . ARG A 1 85  ? -26.506 -1.942 1.300   1.00 16.15 ? 85  ARG A CG  1 
ATOM   649  C  CD  . ARG A 1 85  ? -26.105 -3.014 2.296   1.00 17.12 ? 85  ARG A CD  1 
ATOM   650  N  NE  . ARG A 1 85  ? -25.894 -2.455 3.624   1.00 17.12 ? 85  ARG A NE  1 
ATOM   651  C  CZ  . ARG A 1 85  ? -24.958 -2.879 4.461   1.00 18.57 ? 85  ARG A CZ  1 
ATOM   652  N  NH1 . ARG A 1 85  ? -24.131 -3.847 4.102   1.00 18.45 ? 85  ARG A NH1 1 
ATOM   653  N  NH2 . ARG A 1 85  ? -24.816 -2.312 5.646   1.00 20.20 ? 85  ARG A NH2 1 
ATOM   654  N  N   . GLU A 1 86  ? -24.299 -2.194 -2.803  1.00 15.89 ? 86  GLU A N   1 
ATOM   655  C  CA  . GLU A 1 86  ? -23.918 -2.952 -4.020  1.00 17.24 ? 86  GLU A CA  1 
ATOM   656  C  C   . GLU A 1 86  ? -24.506 -4.364 -3.982  1.00 18.34 ? 86  GLU A C   1 
ATOM   657  O  O   . GLU A 1 86  ? -24.478 -5.003 -2.914  1.00 16.80 ? 86  GLU A O   1 
ATOM   658  C  CB  . GLU A 1 86  ? -22.404 -3.062 -4.114  1.00 17.67 ? 86  GLU A CB  1 
ATOM   659  C  CG  . GLU A 1 86  ? -21.738 -1.805 -4.586  1.00 17.81 ? 86  GLU A CG  1 
ATOM   660  C  CD  . GLU A 1 86  ? -20.309 -2.116 -4.948  1.00 18.58 ? 86  GLU A CD  1 
ATOM   661  O  OE1 . GLU A 1 86  ? -20.021 -2.317 -6.152  1.00 18.21 ? 86  GLU A OE1 1 
ATOM   662  O  OE2 . GLU A 1 86  ? -19.515 -2.210 -4.007  1.00 20.81 ? 86  GLU A OE2 1 
ATOM   663  N  N   . THR A 1 87  ? -25.005 -4.820 -5.126  1.00 19.75 ? 87  THR A N   1 
ATOM   664  C  CA  . THR A 1 87  ? -25.457 -6.212 -5.370  1.00 21.81 ? 87  THR A CA  1 
ATOM   665  C  C   . THR A 1 87  ? -24.255 -7.045 -5.825  1.00 23.91 ? 87  THR A C   1 
ATOM   666  O  O   . THR A 1 87  ? -23.245 -6.431 -6.245  1.00 25.32 ? 87  THR A O   1 
ATOM   667  C  CB  . THR A 1 87  ? -26.554 -6.202 -6.433  1.00 21.95 ? 87  THR A CB  1 
ATOM   668  O  OG1 . THR A 1 87  ? -25.933 -5.770 -7.648  1.00 22.05 ? 87  THR A OG1 1 
ATOM   669  C  CG2 . THR A 1 87  ? -27.692 -5.268 -6.092  1.00 21.13 ? 87  THR A CG2 1 
ATOM   670  N  N   . GLY A 1 88  ? -24.367 -8.378 -5.771  1.00 25.75 ? 88  GLY A N   1 
ATOM   671  C  CA  . GLY A 1 88  ? -23.358 -9.335 -6.280  1.00 26.17 ? 88  GLY A CA  1 
ATOM   672  C  C   . GLY A 1 88  ? -22.905 -9.037 -7.705  1.00 27.50 ? 88  GLY A C   1 
ATOM   673  O  O   . GLY A 1 88  ? -21.723 -9.230 -7.987  1.00 29.64 ? 88  GLY A O   1 
ATOM   674  N  N   . SER A 1 89  ? -23.795 -8.559 -8.579  1.00 28.06 ? 89  SER A N   1 
ATOM   675  C  CA  . SER A 1 89  ? -23.488 -8.248 -9.998  1.00 30.36 ? 89  SER A CA  1 
ATOM   676  C  C   . SER A 1 89  ? -22.984 -6.804 -10.152 1.00 32.49 ? 89  SER A C   1 
ATOM   677  O  O   . SER A 1 89  ? -23.188 -6.234 -11.249 1.00 35.23 ? 89  SER A O   1 
ATOM   678  C  CB  . SER A 1 89  ? -24.702 -8.476 -10.858 1.00 29.66 ? 89  SER A CB  1 
ATOM   679  O  OG  . SER A 1 89  ? -25.706 -7.539 -10.513 1.00 29.00 ? 89  SER A OG  1 
ATOM   680  N  N   . SER A 1 90  ? -22.365 -6.218 -9.118  1.00 30.84 ? 90  SER A N   1 
ATOM   681  C  CA  . SER A 1 90  ? -21.761 -4.860 -9.182  1.00 27.98 ? 90  SER A CA  1 
ATOM   682  C  C   . SER A 1 90  ? -20.248 -4.987 -9.382  1.00 27.38 ? 90  SER A C   1 
ATOM   683  O  O   . SER A 1 90  ? -19.596 -5.613 -8.547  1.00 26.29 ? 90  SER A O   1 
ATOM   684  C  CB  . SER A 1 90  ? -22.080 -4.052 -7.954  1.00 25.31 ? 90  SER A CB  1 
ATOM   685  O  OG  . SER A 1 90  ? -21.597 -2.723 -8.097  1.00 23.60 ? 90  SER A OG  1 
ATOM   686  N  N   . LYS A 1 91  ? -19.738 -4.340 -10.410 1.00 29.85 ? 91  LYS A N   1 
ATOM   687  C  CA  . LYS A 1 91  ? -18.284 -4.329 -10.680 1.00 33.94 ? 91  LYS A CA  1 
ATOM   688  C  C   . LYS A 1 91  ? -17.923 -2.982 -11.283 1.00 31.60 ? 91  LYS A C   1 
ATOM   689  O  O   . LYS A 1 91  ? -18.311 -2.742 -12.416 1.00 28.61 ? 91  LYS A O   1 
ATOM   690  C  CB  . LYS A 1 91  ? -17.857 -5.463 -11.615 1.00 37.42 ? 91  LYS A CB  1 
ATOM   691  C  CG  . LYS A 1 91  ? -16.549 -6.147 -11.251 1.00 41.79 ? 91  LYS A CG  1 
ATOM   692  C  CD  . LYS A 1 91  ? -16.032 -7.059 -12.338 1.00 44.59 ? 91  LYS A CD  1 
ATOM   693  C  CE  . LYS A 1 91  ? -15.822 -8.482 -11.863 1.00 47.38 ? 91  LYS A CE  1 
ATOM   694  N  NZ  . LYS A 1 91  ? -14.397 -8.881 -11.937 1.00 51.37 ? 91  LYS A NZ  1 
ATOM   695  N  N   . TYR A 1 92  ? -17.168 -2.183 -10.545 1.00 33.17 ? 92  TYR A N   1 
ATOM   696  C  CA  . TYR A 1 92  ? -16.693 -0.869 -11.035 1.00 35.23 ? 92  TYR A CA  1 
ATOM   697  C  C   . TYR A 1 92  ? -16.115 -1.106 -12.426 1.00 34.65 ? 92  TYR A C   1 
ATOM   698  O  O   . TYR A 1 92  ? -15.390 -2.073 -12.619 1.00 33.72 ? 92  TYR A O   1 
ATOM   699  C  CB  . TYR A 1 92  ? -15.668 -0.251 -10.080 1.00 37.88 ? 92  TYR A CB  1 
ATOM   700  C  CG  . TYR A 1 92  ? -15.216 1.099  -10.559 1.00 40.68 ? 92  TYR A CG  1 
ATOM   701  C  CD1 . TYR A 1 92  ? -15.868 2.245  -10.147 1.00 41.07 ? 92  TYR A CD1 1 
ATOM   702  C  CD2 . TYR A 1 92  ? -14.211 1.223  -11.504 1.00 42.61 ? 92  TYR A CD2 1 
ATOM   703  C  CE1 . TYR A 1 92  ? -15.511 3.485  -10.638 1.00 41.61 ? 92  TYR A CE1 1 
ATOM   704  C  CE2 . TYR A 1 92  ? -13.830 2.460  -11.993 1.00 41.92 ? 92  TYR A CE2 1 
ATOM   705  C  CZ  . TYR A 1 92  ? -14.494 3.592  -11.564 1.00 41.61 ? 92  TYR A CZ  1 
ATOM   706  O  OH  . TYR A 1 92  ? -14.139 4.820  -12.022 1.00 45.82 ? 92  TYR A OH  1 
ATOM   707  N  N   . PRO A 1 93  ? -16.425 -0.277 -13.446 1.00 33.82 ? 93  PRO A N   1 
ATOM   708  C  CA  . PRO A 1 93  ? -17.196 0.956  -13.287 1.00 33.61 ? 93  PRO A CA  1 
ATOM   709  C  C   . PRO A 1 93  ? -18.694 0.790  -13.571 1.00 31.83 ? 93  PRO A C   1 
ATOM   710  O  O   . PRO A 1 93  ? -19.326 1.760  -13.914 1.00 34.89 ? 93  PRO A O   1 
ATOM   711  C  CB  . PRO A 1 93  ? -16.551 1.799  -14.386 1.00 33.55 ? 93  PRO A CB  1 
ATOM   712  C  CG  . PRO A 1 93  ? -16.428 0.803  -15.524 1.00 34.01 ? 93  PRO A CG  1 
ATOM   713  C  CD  . PRO A 1 93  ? -16.064 -0.507 -14.850 1.00 32.52 ? 93  PRO A CD  1 
ATOM   714  N  N   . ASN A 1 94  ? -19.204 -0.439 -13.485 1.00 29.75 ? 94  ASN A N   1 
ATOM   715  C  CA  . ASN A 1 94  ? -20.658 -0.735 -13.584 1.00 28.25 ? 94  ASN A CA  1 
ATOM   716  C  C   . ASN A 1 94  ? -21.156 -1.072 -12.185 1.00 25.21 ? 94  ASN A C   1 
ATOM   717  O  O   . ASN A 1 94  ? -21.241 -2.255 -11.852 1.00 25.87 ? 94  ASN A O   1 
ATOM   718  C  CB  . ASN A 1 94  ? -20.923 -1.797 -14.642 1.00 29.49 ? 94  ASN A CB  1 
ATOM   719  C  CG  . ASN A 1 94  ? -20.682 -1.196 -16.004 1.00 30.50 ? 94  ASN A CG  1 
ATOM   720  O  OD1 . ASN A 1 94  ? -21.567 -0.536 -16.542 1.00 32.02 ? 94  ASN A OD1 1 
ATOM   721  N  ND2 . ASN A 1 94  ? -19.462 -1.327 -16.499 1.00 30.28 ? 94  ASN A ND2 1 
ATOM   722  N  N   . CYS A 1 95  ? -21.338 -0.021 -11.390 1.00 21.96 ? 95  CYS A N   1 
ATOM   723  C  CA  . CYS A 1 95  ? -21.842 -0.057 -10.002 1.00 19.31 ? 95  CYS A CA  1 
ATOM   724  C  C   . CYS A 1 95  ? -23.348 -0.319 -10.061 1.00 18.03 ? 95  CYS A C   1 
ATOM   725  O  O   . CYS A 1 95  ? -24.053 0.378  -10.814 1.00 18.17 ? 95  CYS A O   1 
ATOM   726  C  CB  . CYS A 1 95  ? -21.533 1.256  -9.292  1.00 18.98 ? 95  CYS A CB  1 
ATOM   727  S  SG  . CYS A 1 95  ? -19.766 1.666  -9.221  1.00 18.47 ? 95  CYS A SG  1 
ATOM   728  N  N   . ALA A 1 96  ? -23.810 -1.314 -9.311  1.00 15.82 ? 96  ALA A N   1 
ATOM   729  C  CA  . ALA A 1 96  ? -25.230 -1.702 -9.200  1.00 14.17 ? 96  ALA A CA  1 
ATOM   730  C  C   . ALA A 1 96  ? -25.581 -1.733 -7.714  1.00 13.44 ? 96  ALA A C   1 
ATOM   731  O  O   . ALA A 1 96  ? -24.842 -2.373 -6.951  1.00 13.79 ? 96  ALA A O   1 
ATOM   732  C  CB  . ALA A 1 96  ? -25.445 -3.042 -9.858  1.00 13.66 ? 96  ALA A CB  1 
ATOM   733  N  N   . TYR A 1 97  ? -26.651 -1.042 -7.321  1.00 12.14 ? 97  TYR A N   1 
ATOM   734  C  CA  . TYR A 1 97  ? -27.078 -0.905 -5.909  1.00 11.27 ? 97  TYR A CA  1 
ATOM   735  C  C   . TYR A 1 97  ? -28.489 -1.463 -5.737  1.00 10.39 ? 97  TYR A C   1 
ATOM   736  O  O   . TYR A 1 97  ? -29.342 -1.239 -6.598  1.00 9.95  ? 97  TYR A O   1 
ATOM   737  C  CB  . TYR A 1 97  ? -26.996 0.562  -5.474  1.00 11.20 ? 97  TYR A CB  1 
ATOM   738  C  CG  . TYR A 1 97  ? -25.582 1.072  -5.396  1.00 11.07 ? 97  TYR A CG  1 
ATOM   739  C  CD1 . TYR A 1 97  ? -24.828 0.873  -4.258  1.00 11.27 ? 97  TYR A CD1 1 
ATOM   740  C  CD2 . TYR A 1 97  ? -24.978 1.695  -6.474  1.00 11.17 ? 97  TYR A CD2 1 
ATOM   741  C  CE1 . TYR A 1 97  ? -23.521 1.315  -4.172  1.00 11.46 ? 97  TYR A CE1 1 
ATOM   742  C  CE2 . TYR A 1 97  ? -23.663 2.133  -6.416  1.00 11.16 ? 97  TYR A CE2 1 
ATOM   743  C  CZ  . TYR A 1 97  ? -22.931 1.942  -5.256  1.00 11.34 ? 97  TYR A CZ  1 
ATOM   744  O  OH  . TYR A 1 97  ? -21.637 2.355  -5.175  1.00 10.64 ? 97  TYR A OH  1 
ATOM   745  N  N   . LYS A 1 98  ? -28.723 -2.103 -4.595  1.00 10.06 ? 98  LYS A N   1 
ATOM   746  C  CA  . LYS A 1 98  ? -30.070 -2.420 -4.045  1.00 9.72  ? 98  LYS A CA  1 
ATOM   747  C  C   . LYS A 1 98  ? -30.581 -1.210 -3.253  1.00 9.41  ? 98  LYS A C   1 
ATOM   748  O  O   . LYS A 1 98  ? -29.834 -0.661 -2.423  1.00 9.17  ? 98  LYS A O   1 
ATOM   749  C  CB  . LYS A 1 98  ? -29.981 -3.666 -3.161  1.00 9.56  ? 98  LYS A CB  1 
ATOM   750  C  CG  . LYS A 1 98  ? -31.242 -4.035 -2.394  1.00 9.36  ? 98  LYS A CG  1 
ATOM   751  C  CD  . LYS A 1 98  ? -31.058 -5.335 -1.633  1.00 9.32  ? 98  LYS A CD  1 
ATOM   752  C  CE  . LYS A 1 98  ? -32.014 -5.507 -0.474  1.00 9.38  ? 98  LYS A CE  1 
ATOM   753  N  NZ  . LYS A 1 98  ? -33.426 -5.558 -0.910  1.00 9.58  ? 98  LYS A NZ  1 
ATOM   754  N  N   . THR A 1 99  ? -31.821 -0.818 -3.537  1.00 9.56  ? 99  THR A N   1 
ATOM   755  C  CA  . THR A 1 99  ? -32.552 0.315  -2.926  1.00 9.40  ? 99  THR A CA  1 
ATOM   756  C  C   . THR A 1 99  ? -33.550 -0.256 -1.920  1.00 9.83  ? 99  THR A C   1 
ATOM   757  O  O   . THR A 1 99  ? -34.539 -0.904 -2.352  1.00 10.53 ? 99  THR A O   1 
ATOM   758  C  CB  . THR A 1 99  ? -33.262 1.152  -3.997  1.00 9.51  ? 99  THR A CB  1 
ATOM   759  O  OG1 . THR A 1 99  ? -32.292 1.712  -4.891  1.00 9.65  ? 99  THR A OG1 1 
ATOM   760  C  CG2 . THR A 1 99  ? -34.117 2.251  -3.403  1.00 9.60  ? 99  THR A CG2 1 
ATOM   761  N  N   . THR A 1 100 ? -33.293 -0.007 -0.637  1.00 9.59  ? 100 THR A N   1 
ATOM   762  C  CA  . THR A 1 100 ? -34.187 -0.312 0.497   1.00 9.87  ? 100 THR A CA  1 
ATOM   763  C  C   . THR A 1 100 ? -34.571 1.009  1.174   1.00 10.22 ? 100 THR A C   1 
ATOM   764  O  O   . THR A 1 100 ? -33.716 1.603  1.893   1.00 9.96  ? 100 THR A O   1 
ATOM   765  C  CB  . THR A 1 100 ? -33.524 -1.323 1.442   1.00 9.77  ? 100 THR A CB  1 
ATOM   766  O  OG1 . THR A 1 100 ? -32.913 -2.327 0.622   1.00 9.57  ? 100 THR A OG1 1 
ATOM   767  C  CG2 . THR A 1 100 ? -34.502 -1.919 2.427   1.00 9.67  ? 100 THR A CG2 1 
ATOM   768  N  N   . GLN A 1 101 ? -35.810 1.445  0.926   1.00 10.45 ? 101 GLN A N   1 
ATOM   769  C  CA  . GLN A 1 101 ? -36.488 2.578  1.608   1.00 11.06 ? 101 GLN A CA  1 
ATOM   770  C  C   . GLN A 1 101 ? -36.957 2.114  2.982   1.00 10.94 ? 101 GLN A C   1 
ATOM   771  O  O   . GLN A 1 101 ? -37.329 0.949  3.119   1.00 11.10 ? 101 GLN A O   1 
ATOM   772  C  CB  . GLN A 1 101 ? -37.685 3.051  0.780   1.00 11.45 ? 101 GLN A CB  1 
ATOM   773  C  CG  . GLN A 1 101 ? -38.570 4.089  1.467   1.00 11.98 ? 101 GLN A CG  1 
ATOM   774  C  CD  . GLN A 1 101 ? -37.861 5.374  1.816   1.00 12.69 ? 101 GLN A CD  1 
ATOM   775  O  OE1 . GLN A 1 101 ? -38.120 5.985  2.859   1.00 13.21 ? 101 GLN A OE1 1 
ATOM   776  N  NE2 . GLN A 1 101 ? -36.964 5.803  0.943   1.00 12.41 ? 101 GLN A NE2 1 
ATOM   777  N  N   . ALA A 1 102 ? -36.970 3.004  3.962   1.00 11.44 ? 102 ALA A N   1 
ATOM   778  C  CA  . ALA A 1 102 ? -37.339 2.664  5.351   1.00 11.89 ? 102 ALA A CA  1 
ATOM   779  C  C   . ALA A 1 102 ? -37.543 3.932  6.180   1.00 12.63 ? 102 ALA A C   1 
ATOM   780  O  O   . ALA A 1 102 ? -37.211 5.060  5.704   1.00 12.38 ? 102 ALA A O   1 
ATOM   781  C  CB  . ALA A 1 102 ? -36.267 1.787  5.941   1.00 11.80 ? 102 ALA A CB  1 
ATOM   782  N  N   . ASN A 1 103 ? -38.145 3.746  7.349   1.00 13.67 ? 103 ASN A N   1 
ATOM   783  C  CA  . ASN A 1 103 ? -38.392 4.811  8.344   1.00 14.95 ? 103 ASN A CA  1 
ATOM   784  C  C   . ASN A 1 103 ? -37.728 4.356  9.628   1.00 15.14 ? 103 ASN A C   1 
ATOM   785  O  O   . ASN A 1 103 ? -38.181 3.349  10.167  1.00 15.37 ? 103 ASN A O   1 
ATOM   786  C  CB  . ASN A 1 103 ? -39.875 5.111  8.500   1.00 16.12 ? 103 ASN A CB  1 
ATOM   787  C  CG  . ASN A 1 103 ? -40.314 6.028  7.389   1.00 17.36 ? 103 ASN A CG  1 
ATOM   788  O  OD1 . ASN A 1 103 ? -40.601 5.573  6.287   1.00 19.10 ? 103 ASN A OD1 1 
ATOM   789  N  ND2 . ASN A 1 103 ? -40.289 7.323  7.646   1.00 18.32 ? 103 ASN A ND2 1 
ATOM   790  N  N   . LYS A 1 104 ? -36.634 5.012  10.001  1.00 15.68 ? 104 LYS A N   1 
ATOM   791  C  CA  . LYS A 1 104 ? -35.739 4.585  11.103  1.00 16.64 ? 104 LYS A CA  1 
ATOM   792  C  C   . LYS A 1 104 ? -35.137 5.808  11.779  1.00 15.15 ? 104 LYS A C   1 
ATOM   793  O  O   . LYS A 1 104 ? -35.054 6.858  11.132  1.00 15.04 ? 104 LYS A O   1 
ATOM   794  C  CB  . LYS A 1 104 ? -34.585 3.731  10.591  1.00 18.57 ? 104 LYS A CB  1 
ATOM   795  C  CG  . LYS A 1 104 ? -35.013 2.413  9.966   1.00 21.71 ? 104 LYS A CG  1 
ATOM   796  C  CD  . LYS A 1 104 ? -34.102 1.982  8.831   1.00 25.71 ? 104 LYS A CD  1 
ATOM   797  C  CE  . LYS A 1 104 ? -33.062 0.957  9.235   1.00 29.48 ? 104 LYS A CE  1 
ATOM   798  N  NZ  . LYS A 1 104 ? -32.136 1.459  10.278  1.00 35.05 ? 104 LYS A NZ  1 
ATOM   799  N  N   . HIS A 1 105 ? -34.718 5.638  13.025  1.00 13.33 ? 105 HIS A N   1 
ATOM   800  C  CA  . HIS A 1 105 ? -33.864 6.606  13.742  1.00 12.85 ? 105 HIS A CA  1 
ATOM   801  C  C   . HIS A 1 105 ? -32.505 6.611  13.041  1.00 13.00 ? 105 HIS A C   1 
ATOM   802  O  O   . HIS A 1 105 ? -32.036 5.524  12.647  1.00 13.57 ? 105 HIS A O   1 
ATOM   803  C  CB  . HIS A 1 105 ? -33.741 6.223  15.216  1.00 12.13 ? 105 HIS A CB  1 
ATOM   804  C  CG  . HIS A 1 105 ? -35.055 6.068  15.903  1.00 11.53 ? 105 HIS A CG  1 
ATOM   805  N  ND1 . HIS A 1 105 ? -35.679 7.117  16.541  1.00 11.25 ? 105 HIS A ND1 1 
ATOM   806  C  CD2 . HIS A 1 105 ? -35.870 5.001  16.047  1.00 11.17 ? 105 HIS A CD2 1 
ATOM   807  C  CE1 . HIS A 1 105 ? -36.817 6.699  17.047  1.00 10.90 ? 105 HIS A CE1 1 
ATOM   808  N  NE2 . HIS A 1 105 ? -36.957 5.413  16.763  1.00 10.75 ? 105 HIS A NE2 1 
ATOM   809  N  N   . ILE A 1 106 ? -31.905 7.777  12.858  1.00 12.24 ? 106 ILE A N   1 
ATOM   810  C  CA  . ILE A 1 106 ? -30.528 7.864  12.303  1.00 12.19 ? 106 ILE A CA  1 
ATOM   811  C  C   . ILE A 1 106 ? -29.555 8.108  13.457  1.00 12.00 ? 106 ILE A C   1 
ATOM   812  O  O   . ILE A 1 106 ? -29.949 8.774  14.443  1.00 12.06 ? 106 ILE A O   1 
ATOM   813  C  CB  . ILE A 1 106 ? -30.460 8.952  11.216  1.00 12.14 ? 106 ILE A CB  1 
ATOM   814  C  CG1 . ILE A 1 106 ? -30.752 10.348 11.766  1.00 11.82 ? 106 ILE A CG1 1 
ATOM   815  C  CG2 . ILE A 1 106 ? -31.393 8.593  10.067  1.00 12.25 ? 106 ILE A CG2 1 
ATOM   816  C  CD1 . ILE A 1 106 ? -30.035 11.442 11.028  1.00 12.16 ? 106 ILE A CD1 1 
ATOM   817  N  N   . ILE A 1 107 ? -28.325 7.601  13.329  1.00 11.53 ? 107 ILE A N   1 
ATOM   818  C  CA  . ILE A 1 107 ? -27.211 7.909  14.266  1.00 11.30 ? 107 ILE A CA  1 
ATOM   819  C  C   . ILE A 1 107 ? -26.088 8.575  13.474  1.00 11.20 ? 107 ILE A C   1 
ATOM   820  O  O   . ILE A 1 107 ? -25.556 7.951  12.558  1.00 11.85 ? 107 ILE A O   1 
ATOM   821  C  CB  . ILE A 1 107 ? -26.746 6.652  15.009  1.00 11.10 ? 107 ILE A CB  1 
ATOM   822  C  CG1 . ILE A 1 107 ? -27.914 6.025  15.768  1.00 11.54 ? 107 ILE A CG1 1 
ATOM   823  C  CG2 . ILE A 1 107 ? -25.580 6.983  15.928  1.00 11.14 ? 107 ILE A CG2 1 
ATOM   824  C  CD1 . ILE A 1 107 ? -27.769 4.552  16.032  1.00 12.01 ? 107 ILE A CD1 1 
ATOM   825  N  N   . VAL A 1 108 ? -25.758 9.810  13.833  1.00 10.97 ? 108 VAL A N   1 
ATOM   826  C  CA  . VAL A 1 108 ? -24.684 10.604 13.178  1.00 10.83 ? 108 VAL A CA  1 
ATOM   827  C  C   . VAL A 1 108 ? -23.665 10.985 14.244  1.00 10.77 ? 108 VAL A C   1 
ATOM   828  O  O   . VAL A 1 108 ? -24.057 11.204 15.412  1.00 10.75 ? 108 VAL A O   1 
ATOM   829  C  CB  . VAL A 1 108 ? -25.242 11.842 12.448  1.00 10.47 ? 108 VAL A CB  1 
ATOM   830  C  CG1 . VAL A 1 108 ? -26.116 11.443 11.276  1.00 10.23 ? 108 VAL A CG1 1 
ATOM   831  C  CG2 . VAL A 1 108 ? -25.999 12.768 13.398  1.00 10.67 ? 108 VAL A CG2 1 
ATOM   832  N  N   . ALA A 1 109 ? -22.399 11.023 13.842  1.00 11.23 ? 109 ALA A N   1 
ATOM   833  C  CA  . ALA A 1 109 ? -21.299 11.648 14.602  1.00 11.32 ? 109 ALA A CA  1 
ATOM   834  C  C   . ALA A 1 109 ? -21.292 13.131 14.248  1.00 11.35 ? 109 ALA A C   1 
ATOM   835  O  O   . ALA A 1 109 ? -21.373 13.462 13.051  1.00 11.33 ? 109 ALA A O   1 
ATOM   836  C  CB  . ALA A 1 109 ? -19.991 10.977 14.284  1.00 11.44 ? 109 ALA A CB  1 
ATOM   837  N  N   . CYS A 1 110 ? -21.240 13.988 15.255  1.00 11.84 ? 110 CYS A N   1 
ATOM   838  C  CA  . CYS A 1 110 ? -21.254 15.461 15.090  1.00 12.86 ? 110 CYS A CA  1 
ATOM   839  C  C   . CYS A 1 110 ? -19.921 16.042 15.521  1.00 14.64 ? 110 CYS A C   1 
ATOM   840  O  O   . CYS A 1 110 ? -19.316 15.501 16.475  1.00 14.26 ? 110 CYS A O   1 
ATOM   841  C  CB  . CYS A 1 110 ? -22.376 16.090 15.891  1.00 12.19 ? 110 CYS A CB  1 
ATOM   842  S  SG  . CYS A 1 110 ? -23.964 15.413 15.362  1.00 11.18 ? 110 CYS A SG  1 
ATOM   843  N  N   . GLU A 1 111 ? -19.514 17.109 14.838  1.00 16.90 ? 111 GLU A N   1 
ATOM   844  C  CA  . GLU A 1 111 ? -18.211 17.758 15.071  1.00 19.49 ? 111 GLU A CA  1 
ATOM   845  C  C   . GLU A 1 111 ? -18.290 19.226 14.687  1.00 19.46 ? 111 GLU A C   1 
ATOM   846  O  O   . GLU A 1 111 ? -19.072 19.569 13.777  1.00 19.13 ? 111 GLU A O   1 
ATOM   847  C  CB  . GLU A 1 111 ? -17.142 17.083 14.228  1.00 21.89 ? 111 GLU A CB  1 
ATOM   848  C  CG  . GLU A 1 111 ? -16.014 16.533 15.059  1.00 25.16 ? 111 GLU A CG  1 
ATOM   849  C  CD  . GLU A 1 111 ? -14.845 16.061 14.227  1.00 27.93 ? 111 GLU A CD  1 
ATOM   850  O  OE1 . GLU A 1 111 ? -13.965 16.910 13.990  1.00 31.31 ? 111 GLU A OE1 1 
ATOM   851  O  OE2 . GLU A 1 111 ? -14.820 14.867 13.821  1.00 28.98 ? 111 GLU A OE2 1 
ATOM   852  N  N   . GLY A 1 112 ? -17.490 20.037 15.377  1.00 19.49 ? 112 GLY A N   1 
ATOM   853  C  CA  . GLY A 1 112 ? -17.110 21.386 14.938  1.00 18.92 ? 112 GLY A CA  1 
ATOM   854  C  C   . GLY A 1 112 ? -17.985 22.447 15.560  1.00 18.48 ? 112 GLY A C   1 
ATOM   855  O  O   . GLY A 1 112 ? -18.755 22.153 16.479  1.00 16.18 ? 112 GLY A O   1 
ATOM   856  N  N   . ASN A 1 113 ? -17.810 23.650 15.038  1.00 19.84 ? 113 ASN A N   1 
ATOM   857  C  CA  . ASN A 1 113 ? -18.586 24.824 15.484  1.00 21.30 ? 113 ASN A CA  1 
ATOM   858  C  C   . ASN A 1 113 ? -18.911 25.578 14.196  1.00 20.33 ? 113 ASN A C   1 
ATOM   859  O  O   . ASN A 1 113 ? -17.979 26.235 13.677  1.00 21.06 ? 113 ASN A O   1 
ATOM   860  C  CB  . ASN A 1 113 ? -17.796 25.681 16.467  1.00 22.41 ? 113 ASN A CB  1 
ATOM   861  C  CG  . ASN A 1 113 ? -18.536 26.911 16.943  1.00 25.02 ? 113 ASN A CG  1 
ATOM   862  O  OD1 . ASN A 1 113 ? -19.715 27.115 16.630  1.00 29.72 ? 113 ASN A OD1 1 
ATOM   863  N  ND2 . ASN A 1 113 ? -17.856 27.745 17.714  1.00 25.03 ? 113 ASN A ND2 1 
ATOM   864  N  N   . PRO A 1 114 ? -20.152 25.498 13.667  1.00 18.70 ? 114 PRO A N   1 
ATOM   865  C  CA  . PRO A 1 114 ? -21.253 24.828 14.361  1.00 17.12 ? 114 PRO A CA  1 
ATOM   866  C  C   . PRO A 1 114 ? -21.085 23.305 14.469  1.00 15.81 ? 114 PRO A C   1 
ATOM   867  O  O   . PRO A 1 114 ? -20.408 22.689 13.647  1.00 15.77 ? 114 PRO A O   1 
ATOM   868  C  CB  . PRO A 1 114 ? -22.464 25.123 13.469  1.00 17.33 ? 114 PRO A CB  1 
ATOM   869  C  CG  . PRO A 1 114 ? -21.840 25.218 12.091  1.00 17.93 ? 114 PRO A CG  1 
ATOM   870  C  CD  . PRO A 1 114 ? -20.556 25.986 12.337  1.00 18.15 ? 114 PRO A CD  1 
ATOM   871  N  N   . TYR A 1 115 ? -21.717 22.736 15.487  1.00 13.30 ? 115 TYR A N   1 
ATOM   872  C  CA  . TYR A 1 115 ? -21.655 21.292 15.809  1.00 12.29 ? 115 TYR A CA  1 
ATOM   873  C  C   . TYR A 1 115 ? -22.653 20.535 14.932  1.00 11.65 ? 115 TYR A C   1 
ATOM   874  O  O   . TYR A 1 115 ? -23.845 20.496 15.240  1.00 11.13 ? 115 TYR A O   1 
ATOM   875  C  CB  . TYR A 1 115 ? -21.951 21.133 17.286  1.00 11.54 ? 115 TYR A CB  1 
ATOM   876  C  CG  . TYR A 1 115 ? -21.617 19.788 17.848  1.00 11.15 ? 115 TYR A CG  1 
ATOM   877  C  CD1 . TYR A 1 115 ? -20.298 19.378 18.004  1.00 10.80 ? 115 TYR A CD1 1 
ATOM   878  C  CD2 . TYR A 1 115 ? -22.632 18.970 18.306  1.00 10.72 ? 115 TYR A CD2 1 
ATOM   879  C  CE1 . TYR A 1 115 ? -19.999 18.155 18.587  1.00 10.64 ? 115 TYR A CE1 1 
ATOM   880  C  CE2 . TYR A 1 115 ? -22.348 17.756 18.901  1.00 10.90 ? 115 TYR A CE2 1 
ATOM   881  C  CZ  . TYR A 1 115 ? -21.031 17.356 19.045  1.00 10.78 ? 115 TYR A CZ  1 
ATOM   882  O  OH  . TYR A 1 115 ? -20.808 16.150 19.630  1.00 11.46 ? 115 TYR A OH  1 
ATOM   883  N  N   . VAL A 1 116 ? -22.157 19.944 13.851  1.00 11.66 ? 116 VAL A N   1 
ATOM   884  C  CA  . VAL A 1 116 ? -22.997 19.454 12.717  1.00 11.33 ? 116 VAL A CA  1 
ATOM   885  C  C   . VAL A 1 116 ? -22.577 18.031 12.375  1.00 10.82 ? 116 VAL A C   1 
ATOM   886  O  O   . VAL A 1 116 ? -21.472 17.626 12.718  1.00 10.66 ? 116 VAL A O   1 
ATOM   887  C  CB  . VAL A 1 116 ? -22.847 20.369 11.498  1.00 11.31 ? 116 VAL A CB  1 
ATOM   888  C  CG1 . VAL A 1 116 ? -23.434 21.748 11.757  1.00 11.61 ? 116 VAL A CG1 1 
ATOM   889  C  CG2 . VAL A 1 116 ? -21.393 20.452 11.069  1.00 11.34 ? 116 VAL A CG2 1 
ATOM   890  N  N   . PRO A 1 117 ? -23.443 17.253 11.691  1.00 10.63 ? 117 PRO A N   1 
ATOM   891  C  CA  . PRO A 1 117 ? -23.118 15.872 11.343  1.00 10.99 ? 117 PRO A CA  1 
ATOM   892  C  C   . PRO A 1 117 ? -21.889 15.795 10.415  1.00 11.58 ? 117 PRO A C   1 
ATOM   893  O  O   . PRO A 1 117 ? -21.776 16.595 9.496   1.00 10.66 ? 117 PRO A O   1 
ATOM   894  C  CB  . PRO A 1 117 ? -24.392 15.344 10.654  1.00 10.81 ? 117 PRO A CB  1 
ATOM   895  C  CG  . PRO A 1 117 ? -25.488 16.337 11.000  1.00 10.46 ? 117 PRO A CG  1 
ATOM   896  C  CD  . PRO A 1 117 ? -24.792 17.650 11.244  1.00 10.50 ? 117 PRO A CD  1 
ATOM   897  N  N   . VAL A 1 118 ? -20.982 14.848 10.688  1.00 12.52 ? 118 VAL A N   1 
ATOM   898  C  CA  . VAL A 1 118 ? -19.774 14.623 9.841   1.00 13.78 ? 118 VAL A CA  1 
ATOM   899  C  C   . VAL A 1 118 ? -19.659 13.150 9.439   1.00 14.79 ? 118 VAL A C   1 
ATOM   900  O  O   . VAL A 1 118 ? -18.923 12.903 8.478   1.00 15.46 ? 118 VAL A O   1 
ATOM   901  C  CB  . VAL A 1 118 ? -18.482 15.106 10.518  1.00 14.06 ? 118 VAL A CB  1 
ATOM   902  C  CG1 . VAL A 1 118 ? -18.486 16.619 10.687  1.00 13.91 ? 118 VAL A CG1 1 
ATOM   903  C  CG2 . VAL A 1 118 ? -18.235 14.387 11.844  1.00 14.00 ? 118 VAL A CG2 1 
ATOM   904  N  N   . HIS A 1 119 ? -20.427 12.307 10.100  1.00 15.44 ? 119 HIS A N   1 
ATOM   905  C  CA  . HIS A 1 119 ? -20.486 10.896 9.695   1.00 16.59 ? 119 HIS A CA  1 
ATOM   906  C  C   . HIS A 1 119 ? -21.858 10.274 9.954   1.00 14.98 ? 119 HIS A C   1 
ATOM   907  O  O   . HIS A 1 119 ? -22.487 10.591 10.955  1.00 13.41 ? 119 HIS A O   1 
ATOM   908  C  CB  . HIS A 1 119 ? -19.481 10.057 10.484  1.00 20.75 ? 119 HIS A CB  1 
ATOM   909  C  CG  . HIS A 1 119 ? -18.040 10.369 10.310  1.00 24.95 ? 119 HIS A CG  1 
ATOM   910  N  ND1 . HIS A 1 119 ? -17.246 10.700 11.384  1.00 27.23 ? 119 HIS A ND1 1 
ATOM   911  C  CD2 . HIS A 1 119 ? -17.248 10.389 9.239   1.00 27.65 ? 119 HIS A CD2 1 
ATOM   912  C  CE1 . HIS A 1 119 ? -16.017 10.919 10.960  1.00 28.50 ? 119 HIS A CE1 1 
ATOM   913  N  NE2 . HIS A 1 119 ? -15.997 10.746 9.659   1.00 28.88 ? 119 HIS A NE2 1 
ATOM   914  N  N   . PHE A 1 120 ? -22.336 9.485  9.005   1.00 13.26 ? 120 PHE A N   1 
ATOM   915  C  CA  . PHE A 1 120 ? -23.511 8.615  9.223   1.00 12.76 ? 120 PHE A CA  1 
ATOM   916  C  C   . PHE A 1 120 ? -22.990 7.325  9.851   1.00 13.48 ? 120 PHE A C   1 
ATOM   917  O  O   . PHE A 1 120 ? -22.216 6.620  9.189   1.00 14.17 ? 120 PHE A O   1 
ATOM   918  C  CB  . PHE A 1 120 ? -24.255 8.358  7.911   1.00 12.20 ? 120 PHE A CB  1 
ATOM   919  C  CG  . PHE A 1 120 ? -25.635 7.779  8.092   1.00 11.53 ? 120 PHE A CG  1 
ATOM   920  C  CD1 . PHE A 1 120 ? -26.752 8.592  8.036   1.00 10.94 ? 120 PHE A CD1 1 
ATOM   921  C  CD2 . PHE A 1 120 ? -25.807 6.425  8.341   1.00 11.41 ? 120 PHE A CD2 1 
ATOM   922  C  CE1 . PHE A 1 120 ? -28.012 8.065  8.237   1.00 11.07 ? 120 PHE A CE1 1 
ATOM   923  C  CE2 . PHE A 1 120 ? -27.077 5.890  8.506   1.00 11.28 ? 120 PHE A CE2 1 
ATOM   924  C  CZ  . PHE A 1 120 ? -28.176 6.712  8.444   1.00 11.03 ? 120 PHE A CZ  1 
ATOM   925  N  N   . ASP A 1 121 ? -23.352 7.046  11.105  1.00 14.25 ? 121 ASP A N   1 
ATOM   926  C  CA  . ASP A 1 121 ? -22.856 5.853  11.846  1.00 14.17 ? 121 ASP A CA  1 
ATOM   927  C  C   . ASP A 1 121 ? -23.762 4.661  11.526  1.00 13.90 ? 121 ASP A C   1 
ATOM   928  O  O   . ASP A 1 121 ? -23.240 3.585  11.227  1.00 14.62 ? 121 ASP A O   1 
ATOM   929  C  CB  . ASP A 1 121 ? -22.764 6.101  13.350  1.00 14.60 ? 121 ASP A CB  1 
ATOM   930  C  CG  . ASP A 1 121 ? -21.840 5.112  14.033  1.00 15.76 ? 121 ASP A CG  1 
ATOM   931  O  OD1 . ASP A 1 121 ? -20.649 5.128  13.698  1.00 16.28 ? 121 ASP A OD1 1 
ATOM   932  O  OD2 . ASP A 1 121 ? -22.325 4.304  14.862  1.00 16.82 ? 121 ASP A OD2 1 
ATOM   933  N  N   . ALA A 1 122 ? -25.075 4.847  11.569  1.00 13.25 ? 122 ALA A N   1 
ATOM   934  C  CA  . ALA A 1 122 ? -26.062 3.758  11.430  1.00 13.05 ? 122 ALA A CA  1 
ATOM   935  C  C   . ALA A 1 122 ? -27.477 4.346  11.443  1.00 13.19 ? 122 ALA A C   1 
ATOM   936  O  O   . ALA A 1 122 ? -27.637 5.537  11.698  1.00 12.27 ? 122 ALA A O   1 
ATOM   937  C  CB  . ALA A 1 122 ? -25.860 2.752  12.550  1.00 12.89 ? 122 ALA A CB  1 
ATOM   938  N  N   . SER A 1 123 ? -28.467 3.529  11.122  1.00 13.88 ? 123 SER A N   1 
ATOM   939  C  CA  . SER A 1 123 ? -29.869 3.801  11.479  1.00 15.03 ? 123 SER A CA  1 
ATOM   940  C  C   . SER A 1 123 ? -30.362 2.624  12.317  1.00 14.77 ? 123 SER A C   1 
ATOM   941  O  O   . SER A 1 123 ? -29.841 1.553  12.168  1.00 13.30 ? 123 SER A O   1 
ATOM   942  C  CB  . SER A 1 123 ? -30.712 4.067  10.260  1.00 16.19 ? 123 SER A CB  1 
ATOM   943  O  OG  . SER A 1 123 ? -30.675 2.968  9.364   1.00 17.44 ? 123 SER A OG  1 
ATOM   944  N  N   . VAL A 1 124 ? -31.299 2.874  13.218  1.00 15.83 ? 124 VAL A N   1 
ATOM   945  C  CA  . VAL A 1 124 ? -31.983 1.835  14.030  1.00 16.93 ? 124 VAL A CA  1 
ATOM   946  C  C   . VAL A 1 124 ? -33.479 2.049  13.810  1.00 17.20 ? 124 VAL A C   1 
ATOM   947  O  O   . VAL A 1 124 ? -34.074 1.297  13.053  1.00 18.04 ? 124 VAL A O   1 
ATOM   948  C  CB  . VAL A 1 124 ? -31.533 1.914  15.499  1.00 17.75 ? 124 VAL A CB  1 
ATOM   949  C  CG1 . VAL A 1 124 ? -30.033 1.719  15.597  1.00 18.28 ? 124 VAL A CG1 1 
ATOM   950  C  CG2 . VAL A 1 124 ? -31.896 3.225  16.159  1.00 18.59 ? 124 VAL A CG2 1 
ATOM   951  O  OXT . VAL A 1 124 ? -34.100 2.972  14.295  1.00 16.42 ? 124 VAL A OXT 1 
HETATM 952  C  C   . CYN B 2 .   ? -19.009 6.067  8.949   1.00 15.95 ? 201 CYN A C   1 
HETATM 953  N  N   . CYN B 2 .   ? -18.669 7.071  9.767   1.00 15.47 ? 201 CYN A N   1 
HETATM 954  C  C1  . GOL C 3 .   ? -27.352 16.151 -7.589  1.00 29.21 ? 202 GOL A C1  1 
HETATM 955  O  O1  . GOL C 3 .   ? -25.967 16.059 -7.910  1.00 25.81 ? 202 GOL A O1  1 
HETATM 956  C  C2  . GOL C 3 .   ? -28.012 14.784 -7.470  1.00 30.57 ? 202 GOL A C2  1 
HETATM 957  O  O2  . GOL C 3 .   ? -27.452 14.082 -6.366  1.00 29.05 ? 202 GOL A O2  1 
HETATM 958  C  C3  . GOL C 3 .   ? -29.527 14.815 -7.322  1.00 31.15 ? 202 GOL A C3  1 
HETATM 959  O  O3  . GOL C 3 .   ? -29.925 15.274 -6.034  1.00 29.65 ? 202 GOL A O3  1 
HETATM 960  CL CL  . CL  D 4 .   ? -18.566 15.895 -5.709  1.00 22.00 ? 203 CL  A CL  1 
HETATM 961  CL CL  . CL  E 4 .   ? -23.887 5.198  5.087   1.00 10.17 ? 204 CL  A CL  1 
HETATM 962  CL CL  . CL  F 4 .   ? -19.104 23.418 5.136   1.00 14.85 ? 205 CL  A CL  1 
HETATM 963  S  S   . SO4 G 5 .   ? -13.388 20.564 8.577   1.00 44.05 ? 206 SO4 A S   1 
HETATM 964  O  O1  . SO4 G 5 .   ? -12.427 21.523 8.066   1.00 45.52 ? 206 SO4 A O1  1 
HETATM 965  O  O2  . SO4 G 5 .   ? -14.550 21.271 9.045   1.00 47.32 ? 206 SO4 A O2  1 
HETATM 966  O  O3  . SO4 G 5 .   ? -13.767 19.639 7.544   1.00 41.64 ? 206 SO4 A O3  1 
HETATM 967  O  O4  . SO4 G 5 .   ? -12.816 19.829 9.674   1.00 49.40 ? 206 SO4 A O4  1 
HETATM 968  O  O   . HOH H 6 .   ? -26.691 9.652  26.262  1.00 18.86 ? 301 HOH A O   1 
HETATM 969  O  O   . HOH H 6 .   ? -19.938 7.343  11.603  1.00 20.64 ? 302 HOH A O   1 
HETATM 970  O  O   . HOH H 6 .   ? -17.456 28.487 14.053  1.00 35.06 ? 303 HOH A O   1 
HETATM 971  O  O   . HOH H 6 .   ? -26.833 -0.472 5.330   1.00 37.12 ? 304 HOH A O   1 
HETATM 972  O  O   . HOH H 6 .   ? -40.283 4.554  4.167   1.00 13.98 ? 305 HOH A O   1 
HETATM 973  O  O   . HOH H 6 .   ? -40.473 8.690  9.582   1.00 18.41 ? 306 HOH A O   1 
HETATM 974  O  O   . HOH H 6 .   ? -17.888 13.923 6.245   1.00 14.31 ? 307 HOH A O   1 
HETATM 975  O  O   . HOH H 6 .   ? -32.459 17.167 23.209  1.00 8.46  ? 308 HOH A O   1 
HETATM 976  O  O   . HOH H 6 .   ? -13.732 22.857 0.518   1.00 14.75 ? 309 HOH A O   1 
HETATM 977  O  O   . HOH H 6 .   ? -28.390 16.218 23.420  1.00 13.06 ? 310 HOH A O   1 
HETATM 978  O  O   . HOH H 6 .   ? -37.074 21.292 8.749   1.00 17.55 ? 311 HOH A O   1 
HETATM 979  O  O   . HOH H 6 .   ? -12.266 20.661 -2.133  1.00 30.00 ? 312 HOH A O   1 
HETATM 980  O  O   . HOH H 6 .   ? -40.144 11.145 8.138   1.00 17.22 ? 313 HOH A O   1 
HETATM 981  O  O   . HOH H 6 .   ? -35.402 14.893 -6.649  1.00 20.70 ? 314 HOH A O   1 
HETATM 982  O  O   . HOH H 6 .   ? -34.427 16.395 14.013  1.00 11.53 ? 315 HOH A O   1 
HETATM 983  O  O   . HOH H 6 .   ? -17.037 9.524  15.463  1.00 25.89 ? 316 HOH A O   1 
HETATM 984  O  O   . HOH H 6 .   ? -21.719 22.760 3.261   1.00 10.90 ? 317 HOH A O   1 
HETATM 985  O  O   . HOH H 6 .   ? -16.923 20.578 8.494   1.00 9.25  ? 318 HOH A O   1 
HETATM 986  O  O   . HOH H 6 .   ? -18.866 22.867 11.641  1.00 18.06 ? 319 HOH A O   1 
HETATM 987  O  O   . HOH H 6 .   ? -18.318 4.523  14.569  1.00 20.94 ? 320 HOH A O   1 
HETATM 988  O  O   . HOH H 6 .   ? -29.873 24.263 8.109   1.00 26.51 ? 321 HOH A O   1 
HETATM 989  O  O   . HOH H 6 .   ? -39.995 14.521 9.219   1.00 30.00 ? 322 HOH A O   1 
HETATM 990  O  O   . HOH H 6 .   ? -31.473 22.346 13.122  1.00 10.42 ? 323 HOH A O   1 
HETATM 991  O  O   . HOH H 6 .   ? -33.683 12.578 -5.106  1.00 25.04 ? 324 HOH A O   1 
HETATM 992  O  O   . HOH H 6 .   ? -37.272 14.910 10.825  1.00 4.14  ? 325 HOH A O   1 
HETATM 993  O  O   . HOH H 6 .   ? -14.375 15.297 -1.270  1.00 27.88 ? 326 HOH A O   1 
HETATM 994  O  O   . HOH H 6 .   ? -30.432 -1.510 0.054   1.00 11.85 ? 327 HOH A O   1 
HETATM 995  O  O   . HOH H 6 .   ? -24.382 20.419 7.724   1.00 2.70  ? 328 HOH A O   1 
HETATM 996  O  O   . HOH H 6 .   ? -15.450 -0.518 -6.766  1.00 21.56 ? 329 HOH A O   1 
HETATM 997  O  O   . HOH H 6 .   ? -25.136 18.694 21.252  1.00 18.01 ? 330 HOH A O   1 
HETATM 998  O  O   . HOH H 6 .   ? -17.981 20.287 11.421  1.00 10.20 ? 331 HOH A O   1 
HETATM 999  O  O   . HOH H 6 .   ? -15.533 23.878 13.608  1.00 10.72 ? 332 HOH A O   1 
HETATM 1000 O  O   . HOH H 6 .   ? -30.505 1.083  -7.334  1.00 3.97  ? 333 HOH A O   1 
HETATM 1001 O  O   . HOH H 6 .   ? -25.962 20.494 13.557  1.00 16.95 ? 334 HOH A O   1 
HETATM 1002 O  O   . HOH H 6 .   ? -29.304 2.191  5.222   1.00 29.10 ? 335 HOH A O   1 
HETATM 1003 O  O   . HOH H 6 .   ? -37.440 7.992  20.662  1.00 15.63 ? 336 HOH A O   1 
HETATM 1004 O  O   . HOH H 6 .   ? -20.256 8.902  -9.449  1.00 12.14 ? 337 HOH A O   1 
HETATM 1005 O  O   . HOH H 6 .   ? -19.420 -8.782 -9.365  1.00 29.43 ? 338 HOH A O   1 
HETATM 1006 O  O   . HOH H 6 .   ? -39.582 9.859  -4.952  1.00 29.64 ? 339 HOH A O   1 
HETATM 1007 O  O   . HOH H 6 .   ? -20.822 14.874 -5.436  1.00 30.00 ? 340 HOH A O   1 
HETATM 1008 O  O   . HOH H 6 .   ? -29.909 11.930 -8.900  1.00 20.15 ? 341 HOH A O   1 
HETATM 1009 O  O   . HOH H 6 .   ? -34.686 -3.652 -2.457  1.00 4.41  ? 342 HOH A O   1 
HETATM 1010 O  O   . HOH H 6 .   ? -37.573 17.132 7.560   1.00 6.45  ? 343 HOH A O   1 
HETATM 1011 O  O   . HOH H 6 .   ? -35.528 13.287 15.562  1.00 6.31  ? 344 HOH A O   1 
HETATM 1012 O  O   . HOH H 6 .   ? -30.921 17.292 -0.351  1.00 18.71 ? 345 HOH A O   1 
HETATM 1013 O  O   . HOH H 6 .   ? -32.412 -1.120 -10.436 1.00 25.77 ? 346 HOH A O   1 
HETATM 1014 O  O   . HOH H 6 .   ? -37.691 -1.493 4.408   1.00 20.19 ? 347 HOH A O   1 
HETATM 1015 O  O   . HOH H 6 .   ? -19.436 -1.237 18.816  1.00 17.57 ? 348 HOH A O   1 
HETATM 1016 O  O   . HOH H 6 .   ? -36.518 3.817  -12.908 1.00 30.00 ? 349 HOH A O   1 
HETATM 1017 O  O   . HOH H 6 .   ? -19.963 11.650 5.313   1.00 8.78  ? 350 HOH A O   1 
HETATM 1018 O  O   . HOH H 6 .   ? -36.258 6.644  -8.574  1.00 22.11 ? 351 HOH A O   1 
HETATM 1019 O  O   . HOH H 6 .   ? -34.940 5.945  19.640  1.00 1.06  ? 352 HOH A O   1 
HETATM 1020 O  O   . HOH H 6 .   ? -37.693 15.406 1.885   1.00 33.36 ? 353 HOH A O   1 
HETATM 1021 O  O   . HOH H 6 .   ? -29.483 10.615 28.146  1.00 5.41  ? 354 HOH A O   1 
HETATM 1022 O  O   . HOH H 6 .   ? -23.351 15.200 -10.393 1.00 27.82 ? 355 HOH A O   1 
HETATM 1023 O  O   . HOH H 6 .   ? -12.818 15.623 2.703   1.00 33.52 ? 356 HOH A O   1 
HETATM 1024 O  O   . HOH H 6 .   ? -23.042 18.356 7.602   1.00 8.65  ? 357 HOH A O   1 
HETATM 1025 O  O   . HOH H 6 .   ? -16.480 21.811 1.489   1.00 10.16 ? 358 HOH A O   1 
HETATM 1026 O  O   . HOH H 6 .   ? -28.731 21.173 17.134  1.00 11.96 ? 359 HOH A O   1 
HETATM 1027 O  O   . HOH H 6 .   ? -17.975 18.088 -3.367  1.00 11.36 ? 360 HOH A O   1 
HETATM 1028 O  O   . HOH H 6 .   ? -12.114 16.462 -0.776  1.00 19.98 ? 361 HOH A O   1 
HETATM 1029 O  O   . HOH H 6 .   ? -33.220 22.604 6.091   1.00 4.27  ? 362 HOH A O   1 
HETATM 1030 O  O   . HOH H 6 .   ? -22.170 20.523 0.425   1.00 13.35 ? 363 HOH A O   1 
HETATM 1031 O  O   . HOH H 6 .   ? -16.665 3.188  1.951   1.00 22.85 ? 364 HOH A O   1 
HETATM 1032 O  O   . HOH H 6 .   ? -33.301 -1.909 -5.822  1.00 2.40  ? 365 HOH A O   1 
HETATM 1033 O  O   . HOH H 6 .   ? -28.160 12.396 25.630  1.00 6.32  ? 366 HOH A O   1 
HETATM 1034 O  O   . HOH H 6 .   ? -20.391 9.207  6.664   1.00 8.83  ? 367 HOH A O   1 
HETATM 1035 O  O   . HOH H 6 .   ? -16.332 12.037 14.150  1.00 15.51 ? 368 HOH A O   1 
HETATM 1036 O  O   . HOH H 6 .   ? -15.740 -0.479 19.075  1.00 29.95 ? 369 HOH A O   1 
HETATM 1037 O  O   . HOH H 6 .   ? -18.384 -4.866 -3.172  1.00 29.78 ? 370 HOH A O   1 
HETATM 1038 O  O   . HOH H 6 .   ? -23.565 24.517 17.069  1.00 19.52 ? 371 HOH A O   1 
HETATM 1039 O  O   . HOH H 6 .   ? -14.621 13.414 10.062  1.00 19.86 ? 372 HOH A O   1 
HETATM 1040 O  O   . HOH H 6 .   ? -40.539 9.510  -9.179  1.00 36.45 ? 373 HOH A O   1 
HETATM 1041 O  O   . HOH H 6 .   ? -28.652 7.799  26.159  1.00 30.00 ? 374 HOH A O   1 
HETATM 1042 O  O   . HOH H 6 .   ? -14.927 19.756 11.924  1.00 30.00 ? 375 HOH A O   1 
HETATM 1043 O  O   . HOH H 6 .   ? -16.972 10.366 -1.557  1.00 17.96 ? 376 HOH A O   1 
HETATM 1044 O  O   . HOH H 6 .   ? -17.963 16.618 20.839  1.00 30.00 ? 377 HOH A O   1 
HETATM 1045 O  O   . HOH H 6 .   ? -28.581 10.319 26.228  1.00 30.00 ? 378 HOH A O   1 
HETATM 1046 O  O   . HOH H 6 .   ? -14.817 10.131 21.327  1.00 21.38 ? 379 HOH A O   1 
HETATM 1047 O  O   . HOH H 6 .   ? -33.117 8.528  20.231  1.00 21.08 ? 380 HOH A O   1 
HETATM 1048 O  O   . HOH H 6 .   ? -16.300 18.880 18.050  1.00 4.99  ? 381 HOH A O   1 
HETATM 1049 O  O   . HOH H 6 .   ? -31.975 10.316 -8.660  1.00 26.94 ? 382 HOH A O   1 
HETATM 1050 O  O   . HOH H 6 .   ? -33.591 21.101 3.517   1.00 11.36 ? 383 HOH A O   1 
HETATM 1051 O  O   . HOH H 6 .   ? -31.357 5.876  26.976  1.00 14.85 ? 384 HOH A O   1 
HETATM 1052 O  O   . HOH H 6 .   ? -20.522 7.189  6.525   1.00 49.71 ? 385 HOH A O   1 
HETATM 1053 O  O   . HOH H 6 .   ? -27.184 0.842  9.790   1.00 21.83 ? 386 HOH A O   1 
HETATM 1054 O  O   . HOH H 6 .   ? -40.360 1.360  7.140   1.00 25.92 ? 387 HOH A O   1 
HETATM 1055 O  O   . HOH H 6 .   ? -29.195 22.086 14.568  1.00 15.40 ? 388 HOH A O   1 
HETATM 1056 O  O   . HOH H 6 .   ? -21.937 18.580 22.068  1.00 34.86 ? 389 HOH A O   1 
HETATM 1057 O  O   . HOH H 6 .   ? -38.141 0.015  10.685  0.50 30.00 ? 390 HOH A O   1 
HETATM 1058 O  O   . HOH H 6 .   ? -24.106 0.366  7.686   1.00 18.58 ? 391 HOH A O   1 
HETATM 1059 O  O   . HOH H 6 .   ? -11.917 24.001 2.936   1.00 32.83 ? 392 HOH A O   1 
HETATM 1060 O  O   . HOH H 6 .   ? -32.547 0.947  5.102   1.00 30.00 ? 393 HOH A O   1 
HETATM 1061 O  O   . HOH H 6 .   ? -41.513 13.400 -3.460  1.00 30.00 ? 394 HOH A O   1 
HETATM 1062 O  O   . HOH H 6 .   ? -39.419 14.585 -6.369  1.00 30.00 ? 395 HOH A O   1 
HETATM 1063 O  O   . HOH H 6 .   ? -44.040 11.155 -3.426  1.00 43.94 ? 396 HOH A O   1 
HETATM 1064 O  O   . HOH H 6 .   ? -37.013 4.891  20.643  1.00 16.91 ? 397 HOH A O   1 
HETATM 1065 O  O   . HOH H 6 .   ? -35.919 20.738 2.918   1.00 4.48  ? 398 HOH A O   1 
HETATM 1066 O  O   . HOH H 6 .   ? -20.109 23.475 9.349   1.00 15.20 ? 399 HOH A O   1 
HETATM 1067 O  O   . HOH H 6 .   ? -12.000 -7.007 -8.265  1.00 28.87 ? 400 HOH A O   1 
HETATM 1068 O  O   . HOH H 6 .   ? -24.711 22.159 20.340  1.00 30.00 ? 401 HOH A O   1 
HETATM 1069 O  O   . HOH H 6 .   ? -11.883 -4.463 -5.943  1.00 36.80 ? 402 HOH A O   1 
# 
