data_9HLK
# 
_entry.id   9HLK 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   9HLK         pdb_00009hlk 10.2210/pdb9hlk/pdb 
WWPDB D_1292143730 ?            ?                   
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
_pdbx_audit_revision_history.part_number 
1 'Structure model' 1 0 2025-05-14 ? 
2 'Structure model' 1 1 2025-05-21 ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               'Database references' 
# 
_pdbx_audit_revision_category.ordinal             1 
_pdbx_audit_revision_category.revision_ordinal    2 
_pdbx_audit_revision_category.data_content_type   'Structure model' 
_pdbx_audit_revision_category.category            citation 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1 2 'Structure model' '_citation.journal_volume' 
2 2 'Structure model' '_citation.page_first'     
3 2 'Structure model' '_citation.page_last'      
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9HLK 
_pdbx_database_status.recvd_initial_deposition_date   2024-12-05 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
loop_
_pdbx_contact_author.id 
_pdbx_contact_author.email 
_pdbx_contact_author.name_first 
_pdbx_contact_author.name_last 
_pdbx_contact_author.name_mi 
_pdbx_contact_author.role 
_pdbx_contact_author.identifier_ORCID 
2 giarita.ferraro@unina.it   Giarita   Ferraro ? 'principal investigator/group leader' 0000-0001-9385-2429 
3 antonello.merlino@unina.it Antonello Merlino ? 'principal investigator/group leader' 0000-0002-1045-7720 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Ferraro, G.' 1 ? 
'Merlino, A.' 2 ? 
# 
_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            Inorg.Chem. 
_citation.journal_id_ASTM           INOCAJ 
_citation.journal_id_CSD            0009 
_citation.journal_id_ISSN           0020-1669 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            64 
_citation.language                  ? 
_citation.page_first                8895 
_citation.page_last                 8905 
_citation.title                     
'Cytotoxicity and Binding to DNA, Lysozyme, Ribonuclease A, and Human Serum Albumin of the Diiodido Analog of Picoplatin.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1021/acs.inorgchem.4c05424 
_citation.pdbx_database_id_PubMed   40312957 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Ferraro, G.'    1 ?                   
primary 'Pracharova, J.' 2 0000-0001-7324-8347 
primary 'Gotte, G.'      3 0000-0003-3179-7158 
primary 'Massai, L.'     4 0000-0003-0765-1802 
primary 'Berecka, M.'    5 ?                   
primary 'Starha, P.'     6 0000-0003-0422-045X 
primary 'Messori, L.'    7 0000-0002-9490-8014 
primary 'Merlino, A.'    8 0000-0002-1045-7720 
# 
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 'Lysozyme C'        14331.160 1  3.2.1.17 ? ? ? 
2 non-polymer syn AMMONIA             17.031    2  ?        ? ? ? 
3 non-polymer syn 'ACETATE ION'       59.044    1  ?        ? ? ? 
4 non-polymer syn 'CHLORIDE ION'      35.453    1  ?        ? ? ? 
5 non-polymer syn 'PLATINUM (II) ION' 195.078   3  ?        ? ? ? 
6 non-polymer syn 'IODIDE ION'        126.904   4  ?        ? ? ? 
7 water       nat water               18.015    72 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        '1,4-beta-N-acetylmuramidase C,Allergen Gal d IV' 
# 
_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       
;KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPC
SALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
;
_entity_poly.pdbx_seq_one_letter_code_can   
;KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPC
SALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
;
_entity_poly.pdbx_strand_id                 AAA 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 AMMONIA             NH3 
3 'ACETATE ION'       ACT 
4 'CHLORIDE ION'      CL  
5 'PLATINUM (II) ION' PT  
6 'IODIDE ION'        IOD 
7 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   VAL n 
1 3   PHE n 
1 4   GLY n 
1 5   ARG n 
1 6   CYS n 
1 7   GLU n 
1 8   LEU n 
1 9   ALA n 
1 10  ALA n 
1 11  ALA n 
1 12  MET n 
1 13  LYS n 
1 14  ARG n 
1 15  HIS n 
1 16  GLY n 
1 17  LEU n 
1 18  ASP n 
1 19  ASN n 
1 20  TYR n 
1 21  ARG n 
1 22  GLY n 
1 23  TYR n 
1 24  SER n 
1 25  LEU n 
1 26  GLY n 
1 27  ASN n 
1 28  TRP n 
1 29  VAL n 
1 30  CYS n 
1 31  ALA n 
1 32  ALA n 
1 33  LYS n 
1 34  PHE n 
1 35  GLU n 
1 36  SER n 
1 37  ASN n 
1 38  PHE n 
1 39  ASN n 
1 40  THR n 
1 41  GLN n 
1 42  ALA n 
1 43  THR n 
1 44  ASN n 
1 45  ARG n 
1 46  ASN n 
1 47  THR n 
1 48  ASP n 
1 49  GLY n 
1 50  SER n 
1 51  THR n 
1 52  ASP n 
1 53  TYR n 
1 54  GLY n 
1 55  ILE n 
1 56  LEU n 
1 57  GLN n 
1 58  ILE n 
1 59  ASN n 
1 60  SER n 
1 61  ARG n 
1 62  TRP n 
1 63  TRP n 
1 64  CYS n 
1 65  ASN n 
1 66  ASP n 
1 67  GLY n 
1 68  ARG n 
1 69  THR n 
1 70  PRO n 
1 71  GLY n 
1 72  SER n 
1 73  ARG n 
1 74  ASN n 
1 75  LEU n 
1 76  CYS n 
1 77  ASN n 
1 78  ILE n 
1 79  PRO n 
1 80  CYS n 
1 81  SER n 
1 82  ALA n 
1 83  LEU n 
1 84  LEU n 
1 85  SER n 
1 86  SER n 
1 87  ASP n 
1 88  ILE n 
1 89  THR n 
1 90  ALA n 
1 91  SER n 
1 92  VAL n 
1 93  ASN n 
1 94  CYS n 
1 95  ALA n 
1 96  LYS n 
1 97  LYS n 
1 98  ILE n 
1 99  VAL n 
1 100 SER n 
1 101 ASP n 
1 102 GLY n 
1 103 ASN n 
1 104 GLY n 
1 105 MET n 
1 106 ASN n 
1 107 ALA n 
1 108 TRP n 
1 109 VAL n 
1 110 ALA n 
1 111 TRP n 
1 112 ARG n 
1 113 ASN n 
1 114 ARG n 
1 115 CYS n 
1 116 LYS n 
1 117 GLY n 
1 118 THR n 
1 119 ASP n 
1 120 VAL n 
1 121 GLN n 
1 122 ALA n 
1 123 TRP n 
1 124 ILE n 
1 125 ARG n 
1 126 GLY n 
1 127 CYS n 
1 128 ARG n 
1 129 LEU 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           129 
_entity_src_nat.common_name                chicken 
_entity_src_nat.pdbx_organism_scientific   'Gallus gallus' 
_entity_src_nat.pdbx_ncbi_taxonomy_id      9031 
_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 
ACT non-polymer         . 'ACETATE ION'       ? 'C2 H3 O2 -1'    59.044  
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  
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  
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 
IOD non-polymer         . 'IODIDE ION'        ? 'I -1'           126.904 
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 
NH3 non-polymer         . AMMONIA             ? 'H3 N'           17.031  
PHE 'L-peptide linking' y PHENYLALANINE       ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE             ? 'C5 H9 N O2'     115.130 
PT  non-polymer         . 'PLATINUM (II) ION' ? 'Pt 2'           195.078 
SER 'L-peptide linking' y SERINE              ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE           ? 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN          ? 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE            ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE              ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   LYS 1   1   1   LYS LYS AAA . n 
A 1 2   VAL 2   2   2   VAL VAL AAA . n 
A 1 3   PHE 3   3   3   PHE PHE AAA . n 
A 1 4   GLY 4   4   4   GLY GLY AAA . n 
A 1 5   ARG 5   5   5   ARG ARG AAA . n 
A 1 6   CYS 6   6   6   CYS CYS AAA . n 
A 1 7   GLU 7   7   7   GLU GLU AAA . n 
A 1 8   LEU 8   8   8   LEU LEU AAA . n 
A 1 9   ALA 9   9   9   ALA ALA AAA . n 
A 1 10  ALA 10  10  10  ALA ALA AAA . n 
A 1 11  ALA 11  11  11  ALA ALA AAA . n 
A 1 12  MET 12  12  12  MET MET AAA . n 
A 1 13  LYS 13  13  13  LYS LYS AAA . n 
A 1 14  ARG 14  14  14  ARG ARG AAA . n 
A 1 15  HIS 15  15  15  HIS HIS AAA . n 
A 1 16  GLY 16  16  16  GLY GLY AAA . n 
A 1 17  LEU 17  17  17  LEU LEU AAA . n 
A 1 18  ASP 18  18  18  ASP ASP AAA . n 
A 1 19  ASN 19  19  19  ASN ASN AAA . n 
A 1 20  TYR 20  20  20  TYR TYR AAA . n 
A 1 21  ARG 21  21  21  ARG ARG AAA . n 
A 1 22  GLY 22  22  22  GLY GLY AAA . n 
A 1 23  TYR 23  23  23  TYR TYR AAA . n 
A 1 24  SER 24  24  24  SER SER AAA . n 
A 1 25  LEU 25  25  25  LEU LEU AAA . n 
A 1 26  GLY 26  26  26  GLY GLY AAA . n 
A 1 27  ASN 27  27  27  ASN ASN AAA . n 
A 1 28  TRP 28  28  28  TRP TRP AAA . n 
A 1 29  VAL 29  29  29  VAL VAL AAA . n 
A 1 30  CYS 30  30  30  CYS CYS AAA . n 
A 1 31  ALA 31  31  31  ALA ALA AAA . n 
A 1 32  ALA 32  32  32  ALA ALA AAA . n 
A 1 33  LYS 33  33  33  LYS LYS AAA . n 
A 1 34  PHE 34  34  34  PHE PHE AAA . n 
A 1 35  GLU 35  35  35  GLU GLU AAA . n 
A 1 36  SER 36  36  36  SER SER AAA . n 
A 1 37  ASN 37  37  37  ASN ASN AAA . n 
A 1 38  PHE 38  38  38  PHE PHE AAA . n 
A 1 39  ASN 39  39  39  ASN ASN AAA . n 
A 1 40  THR 40  40  40  THR THR AAA . n 
A 1 41  GLN 41  41  41  GLN GLN AAA . n 
A 1 42  ALA 42  42  42  ALA ALA AAA . n 
A 1 43  THR 43  43  43  THR THR AAA . n 
A 1 44  ASN 44  44  44  ASN ASN AAA . n 
A 1 45  ARG 45  45  45  ARG ARG AAA . n 
A 1 46  ASN 46  46  46  ASN ASN AAA . n 
A 1 47  THR 47  47  47  THR THR AAA . n 
A 1 48  ASP 48  48  48  ASP ASP AAA . n 
A 1 49  GLY 49  49  49  GLY GLY AAA . n 
A 1 50  SER 50  50  50  SER SER AAA . n 
A 1 51  THR 51  51  51  THR THR AAA . n 
A 1 52  ASP 52  52  52  ASP ASP AAA . n 
A 1 53  TYR 53  53  53  TYR TYR AAA . n 
A 1 54  GLY 54  54  54  GLY GLY AAA . n 
A 1 55  ILE 55  55  55  ILE ILE AAA . n 
A 1 56  LEU 56  56  56  LEU LEU AAA . n 
A 1 57  GLN 57  57  57  GLN GLN AAA . n 
A 1 58  ILE 58  58  58  ILE ILE AAA . n 
A 1 59  ASN 59  59  59  ASN ASN AAA . n 
A 1 60  SER 60  60  60  SER SER AAA . n 
A 1 61  ARG 61  61  61  ARG ARG AAA . n 
A 1 62  TRP 62  62  62  TRP TRP AAA . n 
A 1 63  TRP 63  63  63  TRP TRP AAA . n 
A 1 64  CYS 64  64  64  CYS CYS AAA . n 
A 1 65  ASN 65  65  65  ASN ASN AAA . n 
A 1 66  ASP 66  66  66  ASP ASP AAA . n 
A 1 67  GLY 67  67  67  GLY GLY AAA . n 
A 1 68  ARG 68  68  68  ARG ARG AAA . n 
A 1 69  THR 69  69  69  THR THR AAA . n 
A 1 70  PRO 70  70  70  PRO PRO AAA . n 
A 1 71  GLY 71  71  71  GLY GLY AAA . n 
A 1 72  SER 72  72  72  SER SER AAA . n 
A 1 73  ARG 73  73  73  ARG ARG AAA . n 
A 1 74  ASN 74  74  74  ASN ASN AAA . n 
A 1 75  LEU 75  75  75  LEU LEU AAA . n 
A 1 76  CYS 76  76  76  CYS CYS AAA . n 
A 1 77  ASN 77  77  77  ASN ASN AAA . n 
A 1 78  ILE 78  78  78  ILE ILE AAA . n 
A 1 79  PRO 79  79  79  PRO PRO AAA . n 
A 1 80  CYS 80  80  80  CYS CYS AAA . n 
A 1 81  SER 81  81  81  SER SER AAA . n 
A 1 82  ALA 82  82  82  ALA ALA AAA . n 
A 1 83  LEU 83  83  83  LEU LEU AAA . n 
A 1 84  LEU 84  84  84  LEU LEU AAA . n 
A 1 85  SER 85  85  85  SER SER AAA . n 
A 1 86  SER 86  86  86  SER SER AAA . n 
A 1 87  ASP 87  87  87  ASP ASP AAA . n 
A 1 88  ILE 88  88  88  ILE ILE AAA . n 
A 1 89  THR 89  89  89  THR THR AAA . n 
A 1 90  ALA 90  90  90  ALA ALA AAA . n 
A 1 91  SER 91  91  91  SER SER AAA . n 
A 1 92  VAL 92  92  92  VAL VAL AAA . n 
A 1 93  ASN 93  93  93  ASN ASN AAA . n 
A 1 94  CYS 94  94  94  CYS CYS AAA . n 
A 1 95  ALA 95  95  95  ALA ALA AAA . n 
A 1 96  LYS 96  96  96  LYS LYS AAA . n 
A 1 97  LYS 97  97  97  LYS LYS AAA . n 
A 1 98  ILE 98  98  98  ILE ILE AAA . n 
A 1 99  VAL 99  99  99  VAL VAL AAA . n 
A 1 100 SER 100 100 100 SER SER AAA . n 
A 1 101 ASP 101 101 101 ASP ASP AAA . n 
A 1 102 GLY 102 102 102 GLY GLY AAA . n 
A 1 103 ASN 103 103 103 ASN ASN AAA . n 
A 1 104 GLY 104 104 104 GLY GLY AAA . n 
A 1 105 MET 105 105 105 MET MET AAA . n 
A 1 106 ASN 106 106 106 ASN ASN AAA . n 
A 1 107 ALA 107 107 107 ALA ALA AAA . n 
A 1 108 TRP 108 108 108 TRP TRP AAA . n 
A 1 109 VAL 109 109 109 VAL VAL AAA . n 
A 1 110 ALA 110 110 110 ALA ALA AAA . n 
A 1 111 TRP 111 111 111 TRP TRP AAA . n 
A 1 112 ARG 112 112 112 ARG ARG AAA . n 
A 1 113 ASN 113 113 113 ASN ASN AAA . n 
A 1 114 ARG 114 114 114 ARG ARG AAA . n 
A 1 115 CYS 115 115 115 CYS CYS AAA . n 
A 1 116 LYS 116 116 116 LYS LYS AAA . n 
A 1 117 GLY 117 117 117 GLY GLY AAA . n 
A 1 118 THR 118 118 118 THR THR AAA . n 
A 1 119 ASP 119 119 119 ASP ASP AAA . n 
A 1 120 VAL 120 120 120 VAL VAL AAA . n 
A 1 121 GLN 121 121 121 GLN GLN AAA . n 
A 1 122 ALA 122 122 122 ALA ALA AAA . n 
A 1 123 TRP 123 123 123 TRP TRP AAA . n 
A 1 124 ILE 124 124 124 ILE ILE AAA . n 
A 1 125 ARG 125 125 125 ARG ARG AAA . n 
A 1 126 GLY 126 126 126 GLY GLY AAA . n 
A 1 127 CYS 127 127 127 CYS CYS AAA . n 
A 1 128 ARG 128 128 128 ARG ARG AAA . n 
A 1 129 LEU 129 129 129 LEU LEU AAA . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        PT 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   PT 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 NH3 1  201 201 NH3 NH3 AAA . 
C 2 NH3 1  202 202 NH3 NH3 AAA . 
D 3 ACT 1  203 203 ACT ACT AAA . 
E 4 CL  1  204 1   CL  CL  AAA . 
F 5 PT  1  205 1   PT  PT  AAA . 
G 5 PT  1  206 2   PT  PT  AAA . 
H 5 PT  1  207 3   PT  PT  AAA . 
I 6 IOD 1  208 1   IOD IOD AAA . 
J 6 IOD 1  209 3   IOD IOD AAA . 
K 6 IOD 1  210 4   IOD IOD AAA . 
L 6 IOD 1  211 5   IOD IOD AAA . 
M 7 HOH 1  301 3   HOH HOH AAA . 
M 7 HOH 2  302 56  HOH HOH AAA . 
M 7 HOH 3  303 27  HOH HOH AAA . 
M 7 HOH 4  304 49  HOH HOH AAA . 
M 7 HOH 5  305 73  HOH HOH AAA . 
M 7 HOH 6  306 44  HOH HOH AAA . 
M 7 HOH 7  307 40  HOH HOH AAA . 
M 7 HOH 8  308 14  HOH HOH AAA . 
M 7 HOH 9  309 74  HOH HOH AAA . 
M 7 HOH 10 310 46  HOH HOH AAA . 
M 7 HOH 11 311 60  HOH HOH AAA . 
M 7 HOH 12 312 51  HOH HOH AAA . 
M 7 HOH 13 313 5   HOH HOH AAA . 
M 7 HOH 14 314 65  HOH HOH AAA . 
M 7 HOH 15 315 32  HOH HOH AAA . 
M 7 HOH 16 316 70  HOH HOH AAA . 
M 7 HOH 17 317 55  HOH HOH AAA . 
M 7 HOH 18 318 11  HOH HOH AAA . 
M 7 HOH 19 319 7   HOH HOH AAA . 
M 7 HOH 20 320 52  HOH HOH AAA . 
M 7 HOH 21 321 47  HOH HOH AAA . 
M 7 HOH 22 322 12  HOH HOH AAA . 
M 7 HOH 23 323 41  HOH HOH AAA . 
M 7 HOH 24 324 26  HOH HOH AAA . 
M 7 HOH 25 325 35  HOH HOH AAA . 
M 7 HOH 26 326 16  HOH HOH AAA . 
M 7 HOH 27 327 81  HOH HOH AAA . 
M 7 HOH 28 328 21  HOH HOH AAA . 
M 7 HOH 29 329 48  HOH HOH AAA . 
M 7 HOH 30 330 6   HOH HOH AAA . 
M 7 HOH 31 331 36  HOH HOH AAA . 
M 7 HOH 32 332 38  HOH HOH AAA . 
M 7 HOH 33 333 66  HOH HOH AAA . 
M 7 HOH 34 334 63  HOH HOH AAA . 
M 7 HOH 35 335 50  HOH HOH AAA . 
M 7 HOH 36 336 34  HOH HOH AAA . 
M 7 HOH 37 337 64  HOH HOH AAA . 
M 7 HOH 38 338 39  HOH HOH AAA . 
M 7 HOH 39 339 8   HOH HOH AAA . 
M 7 HOH 40 340 24  HOH HOH AAA . 
M 7 HOH 41 341 83  HOH HOH AAA . 
M 7 HOH 42 342 19  HOH HOH AAA . 
M 7 HOH 43 343 10  HOH HOH AAA . 
M 7 HOH 44 344 9   HOH HOH AAA . 
M 7 HOH 45 345 61  HOH HOH AAA . 
M 7 HOH 46 346 4   HOH HOH AAA . 
M 7 HOH 47 347 82  HOH HOH AAA . 
M 7 HOH 48 348 77  HOH HOH AAA . 
M 7 HOH 49 349 30  HOH HOH AAA . 
M 7 HOH 50 350 57  HOH HOH AAA . 
M 7 HOH 51 351 72  HOH HOH AAA . 
M 7 HOH 52 352 28  HOH HOH AAA . 
M 7 HOH 53 353 29  HOH HOH AAA . 
M 7 HOH 54 354 25  HOH HOH AAA . 
M 7 HOH 55 355 13  HOH HOH AAA . 
M 7 HOH 56 356 15  HOH HOH AAA . 
M 7 HOH 57 357 62  HOH HOH AAA . 
M 7 HOH 58 358 80  HOH HOH AAA . 
M 7 HOH 59 359 69  HOH HOH AAA . 
M 7 HOH 60 360 71  HOH HOH AAA . 
M 7 HOH 61 361 75  HOH HOH AAA . 
M 7 HOH 62 362 31  HOH HOH AAA . 
M 7 HOH 63 363 43  HOH HOH AAA . 
M 7 HOH 64 364 79  HOH HOH AAA . 
M 7 HOH 65 365 53  HOH HOH AAA . 
M 7 HOH 66 366 2   HOH HOH AAA . 
M 7 HOH 67 367 54  HOH HOH AAA . 
M 7 HOH 68 368 76  HOH HOH AAA . 
M 7 HOH 69 369 78  HOH HOH AAA . 
M 7 HOH 70 370 17  HOH HOH AAA . 
M 7 HOH 71 371 67  HOH HOH AAA . 
M 7 HOH 72 372 68  HOH HOH AAA . 
# 
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   ? ? ? 5.8.0258 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? autoPROC ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? autoPROC ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER   ? ? ? .        4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9HLK 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     78.400 
_cell.length_a_esd                 ? 
_cell.length_b                     78.400 
_cell.length_b_esd                 ? 
_cell.length_c                     36.920 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        8 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         9HLK 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                96 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 43 21 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9HLK 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             1.98 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          37.86 
_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              4.5 
_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    
;1.1 M sodium chloride
0.1 M sodium acetate buffer pH 4.5
;
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2020-12-05 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.0 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'ELETTRA BEAMLINE 11.2C' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.0 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   11.2C 
_diffrn_source.pdbx_synchrotron_site       ELETTRA 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9HLK 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.96 
_reflns.d_resolution_low                               55.44 
_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                                     8548 
_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                           98.6 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                20.9 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          29.9 
_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                                0.069 
_reflns.pdbx_Rpim_I_all                                0.015 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.067 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.96 
_reflns_shell.d_res_low                                     2.00 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           4.1 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             381 
_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                               23.3 
_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                               0.987 
_reflns_shell.pdbx_Rpim_I_all                               0.204 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.969 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          93.4 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.966 
_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]                            -0.197 
_refine.aniso_B[1][2]                            0.000 
_refine.aniso_B[1][3]                            0.000 
_refine.aniso_B[2][2]                            -0.197 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            0.394 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               40.371 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.959 
_refine.correlation_coeff_Fo_to_Fc_free          0.934 
_refine.details                                  'Hydrogens have been added in their 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                                 9HLK 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.960 
_refine.ls_d_res_low                             55.437 
_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                     8536 
_refine.ls_number_reflns_R_free                  412 
_refine.ls_number_reflns_R_work                  8124 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    98.205 
_refine.ls_percent_reflns_R_free                 4.827 
_refine.ls_R_factor_all                          0.209 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2691 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2057 
_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 BULK SOLVENT' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.232 
_refine.pdbx_overall_ESU_R_Free                  0.201 
_refine.pdbx_solvent_vdw_probe_radii             1.200 
_refine.pdbx_solvent_ion_probe_radii             0.800 
_refine.pdbx_solvent_shrinkage_radii             0.800 
_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                             6.276 
_refine.overall_SU_ML                            0.176 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        1001 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         14 
_refine_hist.number_atoms_solvent             72 
_refine_hist.number_atoms_total               1087 
_refine_hist.d_res_high                       1.960 
_refine_hist.d_res_low                        55.437 
# 
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' ? 0.011  0.013  1078 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.018  950  ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 0.011  0.010  8    ? r_ext_dist_refined_d           ? ? 
'X-RAY DIFFRACTION' ? 1.760  1.639  1478 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 1.412  1.588  2195 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 7.381  5.000  136  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 32.289 20.441 68   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 15.908 15.000 177  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 19.942 15.000 13   ? r_dihedral_angle_4_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.079  0.200  136  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.009  0.020  1281 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.002  0.020  264  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.207  0.200  288  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.201  0.200  967  ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.163  0.200  523  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.082  0.200  460  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.187  0.200  55   ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.280  0.200  8    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.268  0.200  26   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.131  0.200  8    ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 4.000  4.048  536  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 3.877  4.023  534  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 5.538  6.031  675  ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 5.597  6.050  675  ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 4.545  4.527  542  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 4.543  4.527  543  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 7.561  6.698  811  ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 7.448  6.677  808  ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 10.344 48.499 1334 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 10.347 48.444 1327 ? r_lrange_other                 ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.960 2.011  624 . 33 541 91.9872  . 0.222 . . 0.211 . . . . . 0.177 . 20 . 0.938 0.874 0.385 
'X-RAY DIFFRACTION' 2.011 2.066  613 . 23 588 99.6737  . 0.308 . . 0.304 . . . . . 0.257 . 20 . 0.761 0.701 0.426 
'X-RAY DIFFRACTION' 2.066 2.126  583 . 32 547 99.3139  . 0.305 . . 0.300 . . . . . 0.261 . 20 . 0.715 0.705 0.387 
'X-RAY DIFFRACTION' 2.126 2.191  576 . 27 548 99.8264  . 0.315 . . 0.315 . . . . . 0.271 . 20 . 0.683 0.647 0.314 
'X-RAY DIFFRACTION' 2.191 2.263  562 . 25 495 92.5267  . 0.467 . . 0.461 . . . . . 0.398 . 20 . 0.770 0.740 0.566 
'X-RAY DIFFRACTION' 2.263 2.342  556 . 20 496 92.8058  . 0.271 . . 0.272 . . . . . 0.238 . 20 . 0.851 0.894 0.250 
'X-RAY DIFFRACTION' 2.342 2.430  515 . 27 488 100.0000 . 0.239 . . 0.235 . . . . . 0.213 . 20 . 0.898 0.880 0.293 
'X-RAY DIFFRACTION' 2.430 2.529  513 . 24 488 99.8051  . 0.219 . . 0.216 . . . . . 0.198 . 20 . 0.899 0.860 0.277 
'X-RAY DIFFRACTION' 2.529 2.642  497 . 21 475 99.7988  . 0.232 . . 0.227 . . . . . 0.214 . 20 . 0.901 0.882 0.333 
'X-RAY DIFFRACTION' 2.642 2.770  455 . 25 429 99.7802  . 0.240 . . 0.236 . . . . . 0.232 . 20 . 0.892 0.843 0.302 
'X-RAY DIFFRACTION' 2.770 2.920  452 . 17 435 100.0000 . 0.223 . . 0.219 . . . . . 0.227 . 20 . 0.909 0.902 0.300 
'X-RAY DIFFRACTION' 2.920 3.096  436 . 24 412 100.0000 . 0.216 . . 0.209 . . . . . 0.224 . 20 . 0.917 0.896 0.384 
'X-RAY DIFFRACTION' 3.096 3.309  392 . 23 369 100.0000 . 0.186 . . 0.184 . . . . . 0.211 . 20 . 0.942 0.931 0.219 
'X-RAY DIFFRACTION' 3.309 3.573  382 . 17 365 100.0000 . 0.189 . . 0.185 . . . . . 0.203 . 20 . 0.951 0.922 0.272 
'X-RAY DIFFRACTION' 3.573 3.913  347 . 20 327 100.0000 . 0.163 . . 0.160 . . . . . 0.179 . 20 . 0.963 0.961 0.210 
'X-RAY DIFFRACTION' 3.913 4.372  318 . 15 303 100.0000 . 0.135 . . 0.130 . . . . . 0.166 . 20 . 0.975 0.947 0.237 
'X-RAY DIFFRACTION' 4.372 5.043  289 . 12 277 100.0000 . 0.156 . . 0.157 . . . . . 0.210 . 20 . 0.967 0.979 0.145 
'X-RAY DIFFRACTION' 5.043 6.163  255 . 13 241 99.6078  . 0.171 . . 0.171 . . . . . 0.207 . 20 . 0.962 0.958 0.167 
'X-RAY DIFFRACTION' 6.163 8.663  197 . 8  189 100.0000 . 0.175 . . 0.175 . . . . . 0.214 . 20 . 0.967 0.962 0.169 
'X-RAY DIFFRACTION' 8.663 55.437 130 . 6  111 90.0000  . 0.202 . . 0.196 . . . . . 0.248 . 20 . 0.967 0.934 0.415 
# 
_struct.entry_id                     9HLK 
_struct.title                        
'X-ray structure of the adduct formed upon reaction of the diiodido analogue of picoplatin with lysozyme (structure A)' 
_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        9HLK 
_struct_keywords.text            'metallodrug, picoplatin, analogue, diiodido, protein-metal interaction, 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 2 ? 
D N N 3 ? 
E N N 4 ? 
F N N 5 ? 
G N N 5 ? 
H N N 5 ? 
I N N 6 ? 
J N N 6 ? 
K N N 6 ? 
L N N 6 ? 
M N N 7 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    LYSC_CHICK 
_struct_ref.pdbx_db_accession          P00698 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPC
SALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
;
_struct_ref.pdbx_align_begin           19 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9HLK 
_struct_ref_seq.pdbx_strand_id                AAA 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 129 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P00698 
_struct_ref_seq.db_align_beg                  19 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  147 
_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       129 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 1730 ? 
1 MORE         -80  ? 
1 'SSA (A^2)'  6380 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G,H,I,J,K,L,M 
# 
_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 GLY A 4   ? HIS A 15  ? GLY AAA 4   HIS AAA 15  1 ? 12 
HELX_P HELX_P2 AA2 ASN A 19  ? TYR A 23  ? ASN AAA 19  TYR AAA 23  5 ? 5  
HELX_P HELX_P3 AA3 SER A 24  ? ASN A 37  ? SER AAA 24  ASN AAA 37  1 ? 14 
HELX_P HELX_P4 AA4 PRO A 79  ? SER A 85  ? PRO AAA 79  SER AAA 85  5 ? 7  
HELX_P HELX_P5 AA5 ILE A 88  ? SER A 100 ? ILE AAA 88  SER AAA 100 1 ? 13 
HELX_P HELX_P6 AA6 ASN A 103 ? ALA A 107 ? ASN AAA 103 ALA AAA 107 5 ? 5  
HELX_P HELX_P7 AA7 TRP A 108 ? CYS A 115 ? TRP AAA 108 CYS AAA 115 1 ? 8  
HELX_P HELX_P8 AA8 ASP A 119 ? ILE A 124 ? ASP AAA 119 ILE AAA 124 5 ? 6  
# 
_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 6  SG  ? ? ? 1_555 A CYS 127 SG ? ? AAA CYS 6   AAA CYS 127 1_555 ? ? ? ? ? ? ? 2.064 ? ? 
disulf2 disulf ? ? A CYS 30 SG  ? ? ? 1_555 A CYS 115 SG ? ? AAA CYS 30  AAA CYS 115 1_555 ? ? ? ? ? ? ? 2.093 ? ? 
disulf3 disulf ? ? A CYS 64 SG  ? ? ? 1_555 A CYS 80  SG ? ? AAA CYS 64  AAA CYS 80  1_555 ? ? ? ? ? ? ? 2.096 ? ? 
disulf4 disulf ? ? A CYS 76 SG  ? ? ? 1_555 A CYS 94  SG ? ? AAA CYS 76  AAA CYS 94  1_555 ? ? ? ? ? ? ? 2.089 ? ? 
metalc1 metalc ? ? A ARG 14 NH2 ? ? ? 1_555 F PT  .   PT ? ? AAA ARG 14  AAA PT  205 1_555 ? ? ? ? ? ? ? 2.147 ? ? 
metalc2 metalc ? ? A HIS 15 NE2 ? ? ? 1_555 F PT  .   PT ? ? AAA HIS 15  AAA PT  205 1_555 ? ? ? ? ? ? ? 2.472 ? ? 
metalc3 metalc ? ? B NH3 .  N   ? ? ? 1_555 G PT  .   PT ? ? AAA NH3 201 AAA PT  206 1_555 ? ? ? ? ? ? ? 2.256 ? ? 
metalc4 metalc ? ? C NH3 .  N   ? ? ? 1_555 F PT  .   PT ? ? AAA NH3 202 AAA PT  205 1_555 ? ? ? ? ? ? ? 2.235 ? ? 
metalc5 metalc ? ? G PT  .  PT  ? ? ? 1_555 M HOH .   O  ? ? AAA PT  206 AAA HOH 357 1_555 ? ? ? ? ? ? ? 2.252 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
disulf ? ? 
metalc ? ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1 NH2 ? A ARG 14 ? AAA ARG 14  ? 1_555 PT ? F PT . ? AAA PT 205 ? 1_555 NE2 ? A HIS 15 ? AAA HIS 15  ? 1_555 90.3  ? 
2 NH2 ? A ARG 14 ? AAA ARG 14  ? 1_555 PT ? F PT . ? AAA PT 205 ? 1_555 N   ? C NH3 .  ? AAA NH3 202 ? 1_555 86.8  ? 
3 NE2 ? A HIS 15 ? AAA HIS 15  ? 1_555 PT ? F PT . ? AAA PT 205 ? 1_555 N   ? C NH3 .  ? AAA NH3 202 ? 1_555 177.0 ? 
4 N   ? B NH3 .  ? AAA NH3 201 ? 1_555 PT ? G PT . ? AAA PT 206 ? 1_555 O   ? M HOH .  ? AAA HOH 357 ? 1_555 91.9  ? 
# 
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 6  ? CYS A 127 ? CYS AAA 6  ? 1_555 CYS AAA 127 ? 1_555 SG SG . . . None 'Disulfide bridge' 
2 CYS A 30 ? CYS A 115 ? CYS AAA 30 ? 1_555 CYS AAA 115 ? 1_555 SG SG . . . None 'Disulfide bridge' 
3 CYS A 64 ? CYS A 80  ? CYS AAA 64 ? 1_555 CYS AAA 80  ? 1_555 SG SG . . . None 'Disulfide bridge' 
4 CYS A 76 ? CYS A 94  ? CYS AAA 76 ? 1_555 CYS AAA 94  ? 1_555 SG SG . . . None 'Disulfide bridge' 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   3 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? 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 THR A 43 ? ARG A 45 ? THR AAA 43 ARG AAA 45 
AA1 2 THR A 51 ? TYR A 53 ? THR AAA 51 TYR AAA 53 
AA1 3 ILE A 58 ? ASN A 59 ? ILE AAA 58 ASN AAA 59 
# 
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 AAA 44 O ASP A 52 ? O ASP AAA 52 
AA1 2 3 N TYR A 53 ? N TYR AAA 53 O ILE A 58 ? O ILE AAA 58 
# 
_pdbx_entry_details.entry_id                   9HLK 
_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_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 SER AAA 36  ? ? -140.99 -4.16 
2 1 ASN AAA 77  ? B 35.54   63.85 
3 1 ARG AAA 128 ? ? -58.78  78.58 
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 AAA HOH 311 ? M HOH . 
2 1 AAA HOH 313 ? M HOH . 
# 
_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                      AAA 
_pdbx_distant_solvent_atoms.auth_comp_id                      HOH 
_pdbx_distant_solvent_atoms.auth_seq_id                       372 
_pdbx_distant_solvent_atoms.PDB_ins_code                      ? 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance   6.95 
_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 
ACT C    C  N N 1   
ACT O    O  N N 2   
ACT OXT  O  N N 3   
ACT CH3  C  N N 4   
ACT H1   H  N N 5   
ACT H2   H  N N 6   
ACT H3   H  N N 7   
ALA N    N  N N 8   
ALA CA   C  N S 9   
ALA C    C  N N 10  
ALA O    O  N N 11  
ALA CB   C  N N 12  
ALA OXT  O  N N 13  
ALA H    H  N N 14  
ALA H2   H  N N 15  
ALA HA   H  N N 16  
ALA HB1  H  N N 17  
ALA HB2  H  N N 18  
ALA HB3  H  N N 19  
ALA HXT  H  N N 20  
ARG N    N  N N 21  
ARG CA   C  N S 22  
ARG C    C  N N 23  
ARG O    O  N N 24  
ARG CB   C  N N 25  
ARG CG   C  N N 26  
ARG CD   C  N N 27  
ARG NE   N  N N 28  
ARG CZ   C  N N 29  
ARG NH1  N  N N 30  
ARG NH2  N  N N 31  
ARG OXT  O  N N 32  
ARG H    H  N N 33  
ARG H2   H  N N 34  
ARG HA   H  N N 35  
ARG HB2  H  N N 36  
ARG HB3  H  N N 37  
ARG HG2  H  N N 38  
ARG HG3  H  N N 39  
ARG HD2  H  N N 40  
ARG HD3  H  N N 41  
ARG HE   H  N N 42  
ARG HH11 H  N N 43  
ARG HH12 H  N N 44  
ARG HH21 H  N N 45  
ARG HH22 H  N N 46  
ARG HXT  H  N N 47  
ASN N    N  N N 48  
ASN CA   C  N S 49  
ASN C    C  N N 50  
ASN O    O  N N 51  
ASN CB   C  N N 52  
ASN CG   C  N N 53  
ASN OD1  O  N N 54  
ASN ND2  N  N N 55  
ASN OXT  O  N N 56  
ASN H    H  N N 57  
ASN H2   H  N N 58  
ASN HA   H  N N 59  
ASN HB2  H  N N 60  
ASN HB3  H  N N 61  
ASN HD21 H  N N 62  
ASN HD22 H  N N 63  
ASN HXT  H  N N 64  
ASP N    N  N N 65  
ASP CA   C  N S 66  
ASP C    C  N N 67  
ASP O    O  N N 68  
ASP CB   C  N N 69  
ASP CG   C  N N 70  
ASP OD1  O  N N 71  
ASP OD2  O  N N 72  
ASP OXT  O  N N 73  
ASP H    H  N N 74  
ASP H2   H  N N 75  
ASP HA   H  N N 76  
ASP HB2  H  N N 77  
ASP HB3  H  N N 78  
ASP HD2  H  N N 79  
ASP HXT  H  N N 80  
CL  CL   CL N N 81  
CYS N    N  N N 82  
CYS CA   C  N R 83  
CYS C    C  N N 84  
CYS O    O  N N 85  
CYS CB   C  N N 86  
CYS SG   S  N N 87  
CYS OXT  O  N N 88  
CYS H    H  N N 89  
CYS H2   H  N N 90  
CYS HA   H  N N 91  
CYS HB2  H  N N 92  
CYS HB3  H  N N 93  
CYS HG   H  N N 94  
CYS HXT  H  N N 95  
GLN N    N  N N 96  
GLN CA   C  N S 97  
GLN C    C  N N 98  
GLN O    O  N N 99  
GLN CB   C  N N 100 
GLN CG   C  N N 101 
GLN CD   C  N N 102 
GLN OE1  O  N N 103 
GLN NE2  N  N N 104 
GLN OXT  O  N N 105 
GLN H    H  N N 106 
GLN H2   H  N N 107 
GLN HA   H  N N 108 
GLN HB2  H  N N 109 
GLN HB3  H  N N 110 
GLN HG2  H  N N 111 
GLN HG3  H  N N 112 
GLN HE21 H  N N 113 
GLN HE22 H  N N 114 
GLN HXT  H  N N 115 
GLU N    N  N N 116 
GLU CA   C  N S 117 
GLU C    C  N N 118 
GLU O    O  N N 119 
GLU CB   C  N N 120 
GLU CG   C  N N 121 
GLU CD   C  N N 122 
GLU OE1  O  N N 123 
GLU OE2  O  N N 124 
GLU OXT  O  N N 125 
GLU H    H  N N 126 
GLU H2   H  N N 127 
GLU HA   H  N N 128 
GLU HB2  H  N N 129 
GLU HB3  H  N N 130 
GLU HG2  H  N N 131 
GLU HG3  H  N N 132 
GLU HE2  H  N N 133 
GLU HXT  H  N N 134 
GLY N    N  N N 135 
GLY CA   C  N N 136 
GLY C    C  N N 137 
GLY O    O  N N 138 
GLY OXT  O  N N 139 
GLY H    H  N N 140 
GLY H2   H  N N 141 
GLY HA2  H  N N 142 
GLY HA3  H  N N 143 
GLY HXT  H  N N 144 
HIS N    N  N N 145 
HIS CA   C  N S 146 
HIS C    C  N N 147 
HIS O    O  N N 148 
HIS CB   C  N N 149 
HIS CG   C  Y N 150 
HIS ND1  N  Y N 151 
HIS CD2  C  Y N 152 
HIS CE1  C  Y N 153 
HIS NE2  N  Y N 154 
HIS OXT  O  N N 155 
HIS H    H  N N 156 
HIS H2   H  N N 157 
HIS HA   H  N N 158 
HIS HB2  H  N N 159 
HIS HB3  H  N N 160 
HIS HD1  H  N N 161 
HIS HD2  H  N N 162 
HIS HE1  H  N N 163 
HIS HE2  H  N N 164 
HIS HXT  H  N N 165 
HOH O    O  N N 166 
HOH H1   H  N N 167 
HOH H2   H  N N 168 
ILE N    N  N N 169 
ILE CA   C  N S 170 
ILE C    C  N N 171 
ILE O    O  N N 172 
ILE CB   C  N S 173 
ILE CG1  C  N N 174 
ILE CG2  C  N N 175 
ILE CD1  C  N N 176 
ILE OXT  O  N N 177 
ILE H    H  N N 178 
ILE H2   H  N N 179 
ILE HA   H  N N 180 
ILE HB   H  N N 181 
ILE HG12 H  N N 182 
ILE HG13 H  N N 183 
ILE HG21 H  N N 184 
ILE HG22 H  N N 185 
ILE HG23 H  N N 186 
ILE HD11 H  N N 187 
ILE HD12 H  N N 188 
ILE HD13 H  N N 189 
ILE HXT  H  N N 190 
IOD I    I  N N 191 
LEU N    N  N N 192 
LEU CA   C  N S 193 
LEU C    C  N N 194 
LEU O    O  N N 195 
LEU CB   C  N N 196 
LEU CG   C  N N 197 
LEU CD1  C  N N 198 
LEU CD2  C  N N 199 
LEU OXT  O  N N 200 
LEU H    H  N N 201 
LEU H2   H  N N 202 
LEU HA   H  N N 203 
LEU HB2  H  N N 204 
LEU HB3  H  N N 205 
LEU HG   H  N N 206 
LEU HD11 H  N N 207 
LEU HD12 H  N N 208 
LEU HD13 H  N N 209 
LEU HD21 H  N N 210 
LEU HD22 H  N N 211 
LEU HD23 H  N N 212 
LEU HXT  H  N N 213 
LYS N    N  N N 214 
LYS CA   C  N S 215 
LYS C    C  N N 216 
LYS O    O  N N 217 
LYS CB   C  N N 218 
LYS CG   C  N N 219 
LYS CD   C  N N 220 
LYS CE   C  N N 221 
LYS NZ   N  N N 222 
LYS OXT  O  N N 223 
LYS H    H  N N 224 
LYS H2   H  N N 225 
LYS HA   H  N N 226 
LYS HB2  H  N N 227 
LYS HB3  H  N N 228 
LYS HG2  H  N N 229 
LYS HG3  H  N N 230 
LYS HD2  H  N N 231 
LYS HD3  H  N N 232 
LYS HE2  H  N N 233 
LYS HE3  H  N N 234 
LYS HZ1  H  N N 235 
LYS HZ2  H  N N 236 
LYS HZ3  H  N N 237 
LYS HXT  H  N N 238 
MET N    N  N N 239 
MET CA   C  N S 240 
MET C    C  N N 241 
MET O    O  N N 242 
MET CB   C  N N 243 
MET CG   C  N N 244 
MET SD   S  N N 245 
MET CE   C  N N 246 
MET OXT  O  N N 247 
MET H    H  N N 248 
MET H2   H  N N 249 
MET HA   H  N N 250 
MET HB2  H  N N 251 
MET HB3  H  N N 252 
MET HG2  H  N N 253 
MET HG3  H  N N 254 
MET HE1  H  N N 255 
MET HE2  H  N N 256 
MET HE3  H  N N 257 
MET HXT  H  N N 258 
NH3 N    N  N N 259 
NH3 HN1  H  N N 260 
NH3 HN2  H  N N 261 
NH3 HN3  H  N N 262 
PHE N    N  N N 263 
PHE CA   C  N S 264 
PHE C    C  N N 265 
PHE O    O  N N 266 
PHE CB   C  N N 267 
PHE CG   C  Y N 268 
PHE CD1  C  Y N 269 
PHE CD2  C  Y N 270 
PHE CE1  C  Y N 271 
PHE CE2  C  Y N 272 
PHE CZ   C  Y N 273 
PHE OXT  O  N N 274 
PHE H    H  N N 275 
PHE H2   H  N N 276 
PHE HA   H  N N 277 
PHE HB2  H  N N 278 
PHE HB3  H  N N 279 
PHE HD1  H  N N 280 
PHE HD2  H  N N 281 
PHE HE1  H  N N 282 
PHE HE2  H  N N 283 
PHE HZ   H  N N 284 
PHE HXT  H  N N 285 
PRO N    N  N N 286 
PRO CA   C  N S 287 
PRO C    C  N N 288 
PRO O    O  N N 289 
PRO CB   C  N N 290 
PRO CG   C  N N 291 
PRO CD   C  N N 292 
PRO OXT  O  N N 293 
PRO H    H  N N 294 
PRO HA   H  N N 295 
PRO HB2  H  N N 296 
PRO HB3  H  N N 297 
PRO HG2  H  N N 298 
PRO HG3  H  N N 299 
PRO HD2  H  N N 300 
PRO HD3  H  N N 301 
PRO HXT  H  N N 302 
PT  PT   PT N N 303 
SER N    N  N N 304 
SER CA   C  N S 305 
SER C    C  N N 306 
SER O    O  N N 307 
SER CB   C  N N 308 
SER OG   O  N N 309 
SER OXT  O  N N 310 
SER H    H  N N 311 
SER H2   H  N N 312 
SER HA   H  N N 313 
SER HB2  H  N N 314 
SER HB3  H  N N 315 
SER HG   H  N N 316 
SER HXT  H  N N 317 
THR N    N  N N 318 
THR CA   C  N S 319 
THR C    C  N N 320 
THR O    O  N N 321 
THR CB   C  N R 322 
THR OG1  O  N N 323 
THR CG2  C  N N 324 
THR OXT  O  N N 325 
THR H    H  N N 326 
THR H2   H  N N 327 
THR HA   H  N N 328 
THR HB   H  N N 329 
THR HG1  H  N N 330 
THR HG21 H  N N 331 
THR HG22 H  N N 332 
THR HG23 H  N N 333 
THR HXT  H  N N 334 
TRP N    N  N N 335 
TRP CA   C  N S 336 
TRP C    C  N N 337 
TRP O    O  N N 338 
TRP CB   C  N N 339 
TRP CG   C  Y N 340 
TRP CD1  C  Y N 341 
TRP CD2  C  Y N 342 
TRP NE1  N  Y N 343 
TRP CE2  C  Y N 344 
TRP CE3  C  Y N 345 
TRP CZ2  C  Y N 346 
TRP CZ3  C  Y N 347 
TRP CH2  C  Y N 348 
TRP OXT  O  N N 349 
TRP H    H  N N 350 
TRP H2   H  N N 351 
TRP HA   H  N N 352 
TRP HB2  H  N N 353 
TRP HB3  H  N N 354 
TRP HD1  H  N N 355 
TRP HE1  H  N N 356 
TRP HE3  H  N N 357 
TRP HZ2  H  N N 358 
TRP HZ3  H  N N 359 
TRP HH2  H  N N 360 
TRP HXT  H  N N 361 
TYR N    N  N N 362 
TYR CA   C  N S 363 
TYR C    C  N N 364 
TYR O    O  N N 365 
TYR CB   C  N N 366 
TYR CG   C  Y N 367 
TYR CD1  C  Y N 368 
TYR CD2  C  Y N 369 
TYR CE1  C  Y N 370 
TYR CE2  C  Y N 371 
TYR CZ   C  Y N 372 
TYR OH   O  N N 373 
TYR OXT  O  N N 374 
TYR H    H  N N 375 
TYR H2   H  N N 376 
TYR HA   H  N N 377 
TYR HB2  H  N N 378 
TYR HB3  H  N N 379 
TYR HD1  H  N N 380 
TYR HD2  H  N N 381 
TYR HE1  H  N N 382 
TYR HE2  H  N N 383 
TYR HH   H  N N 384 
TYR HXT  H  N N 385 
VAL N    N  N N 386 
VAL CA   C  N S 387 
VAL C    C  N N 388 
VAL O    O  N N 389 
VAL CB   C  N N 390 
VAL CG1  C  N N 391 
VAL CG2  C  N N 392 
VAL OXT  O  N N 393 
VAL H    H  N N 394 
VAL H2   H  N N 395 
VAL HA   H  N N 396 
VAL HB   H  N N 397 
VAL HG11 H  N N 398 
VAL HG12 H  N N 399 
VAL HG13 H  N N 400 
VAL HG21 H  N N 401 
VAL HG22 H  N N 402 
VAL HG23 H  N N 403 
VAL HXT  H  N N 404 
# 
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 
ACT C   O    doub N N 1   
ACT C   OXT  sing N N 2   
ACT C   CH3  sing N N 3   
ACT CH3 H1   sing N N 4   
ACT CH3 H2   sing N N 5   
ACT CH3 H3   sing N N 6   
ALA N   CA   sing N N 7   
ALA N   H    sing N N 8   
ALA N   H2   sing N N 9   
ALA CA  C    sing N N 10  
ALA CA  CB   sing N N 11  
ALA CA  HA   sing N N 12  
ALA C   O    doub N N 13  
ALA C   OXT  sing N N 14  
ALA CB  HB1  sing N N 15  
ALA CB  HB2  sing N N 16  
ALA CB  HB3  sing N N 17  
ALA OXT HXT  sing N N 18  
ARG N   CA   sing N N 19  
ARG N   H    sing N N 20  
ARG N   H2   sing N N 21  
ARG CA  C    sing N N 22  
ARG CA  CB   sing N N 23  
ARG CA  HA   sing N N 24  
ARG C   O    doub N N 25  
ARG C   OXT  sing N N 26  
ARG CB  CG   sing N N 27  
ARG CB  HB2  sing N N 28  
ARG CB  HB3  sing N N 29  
ARG CG  CD   sing N N 30  
ARG CG  HG2  sing N N 31  
ARG CG  HG3  sing N N 32  
ARG CD  NE   sing N N 33  
ARG CD  HD2  sing N N 34  
ARG CD  HD3  sing N N 35  
ARG NE  CZ   sing N N 36  
ARG NE  HE   sing N N 37  
ARG CZ  NH1  sing N N 38  
ARG CZ  NH2  doub N N 39  
ARG NH1 HH11 sing N N 40  
ARG NH1 HH12 sing N N 41  
ARG NH2 HH21 sing N N 42  
ARG NH2 HH22 sing N N 43  
ARG OXT HXT  sing N N 44  
ASN N   CA   sing N N 45  
ASN N   H    sing N N 46  
ASN N   H2   sing N N 47  
ASN CA  C    sing N N 48  
ASN CA  CB   sing N N 49  
ASN CA  HA   sing N N 50  
ASN C   O    doub N N 51  
ASN C   OXT  sing N N 52  
ASN CB  CG   sing N N 53  
ASN CB  HB2  sing N N 54  
ASN CB  HB3  sing N N 55  
ASN CG  OD1  doub N N 56  
ASN CG  ND2  sing N N 57  
ASN ND2 HD21 sing N N 58  
ASN ND2 HD22 sing N N 59  
ASN OXT HXT  sing N N 60  
ASP N   CA   sing N N 61  
ASP N   H    sing N N 62  
ASP N   H2   sing N N 63  
ASP CA  C    sing N N 64  
ASP CA  CB   sing N N 65  
ASP CA  HA   sing N N 66  
ASP C   O    doub N N 67  
ASP C   OXT  sing N N 68  
ASP CB  CG   sing N N 69  
ASP CB  HB2  sing N N 70  
ASP CB  HB3  sing N N 71  
ASP CG  OD1  doub N N 72  
ASP CG  OD2  sing N N 73  
ASP OD2 HD2  sing N N 74  
ASP OXT HXT  sing N N 75  
CYS N   CA   sing N N 76  
CYS N   H    sing N N 77  
CYS N   H2   sing N N 78  
CYS CA  C    sing N N 79  
CYS CA  CB   sing N N 80  
CYS CA  HA   sing N N 81  
CYS C   O    doub N N 82  
CYS C   OXT  sing N N 83  
CYS CB  SG   sing N N 84  
CYS CB  HB2  sing N N 85  
CYS CB  HB3  sing N N 86  
CYS SG  HG   sing N N 87  
CYS OXT HXT  sing N N 88  
GLN N   CA   sing N N 89  
GLN N   H    sing N N 90  
GLN N   H2   sing N N 91  
GLN CA  C    sing N N 92  
GLN CA  CB   sing N N 93  
GLN CA  HA   sing N N 94  
GLN C   O    doub N N 95  
GLN C   OXT  sing N N 96  
GLN CB  CG   sing N N 97  
GLN CB  HB2  sing N N 98  
GLN CB  HB3  sing N N 99  
GLN CG  CD   sing N N 100 
GLN CG  HG2  sing N N 101 
GLN CG  HG3  sing N N 102 
GLN CD  OE1  doub N N 103 
GLN CD  NE2  sing N N 104 
GLN NE2 HE21 sing N N 105 
GLN NE2 HE22 sing N N 106 
GLN OXT HXT  sing N N 107 
GLU N   CA   sing N N 108 
GLU N   H    sing N N 109 
GLU N   H2   sing N N 110 
GLU CA  C    sing N N 111 
GLU CA  CB   sing N N 112 
GLU CA  HA   sing N N 113 
GLU C   O    doub N N 114 
GLU C   OXT  sing N N 115 
GLU CB  CG   sing N N 116 
GLU CB  HB2  sing N N 117 
GLU CB  HB3  sing N N 118 
GLU CG  CD   sing N N 119 
GLU CG  HG2  sing N N 120 
GLU CG  HG3  sing N N 121 
GLU CD  OE1  doub N N 122 
GLU CD  OE2  sing N N 123 
GLU OE2 HE2  sing N N 124 
GLU OXT HXT  sing N N 125 
GLY N   CA   sing N N 126 
GLY N   H    sing N N 127 
GLY N   H2   sing N N 128 
GLY CA  C    sing N N 129 
GLY CA  HA2  sing N N 130 
GLY CA  HA3  sing N N 131 
GLY C   O    doub N N 132 
GLY C   OXT  sing N N 133 
GLY OXT HXT  sing N N 134 
HIS N   CA   sing N N 135 
HIS N   H    sing N N 136 
HIS N   H2   sing N N 137 
HIS CA  C    sing N N 138 
HIS CA  CB   sing N N 139 
HIS CA  HA   sing N N 140 
HIS C   O    doub N N 141 
HIS C   OXT  sing N N 142 
HIS CB  CG   sing N N 143 
HIS CB  HB2  sing N N 144 
HIS CB  HB3  sing N N 145 
HIS CG  ND1  sing Y N 146 
HIS CG  CD2  doub Y N 147 
HIS ND1 CE1  doub Y N 148 
HIS ND1 HD1  sing N N 149 
HIS CD2 NE2  sing Y N 150 
HIS CD2 HD2  sing N N 151 
HIS CE1 NE2  sing Y N 152 
HIS CE1 HE1  sing N N 153 
HIS NE2 HE2  sing N N 154 
HIS OXT HXT  sing N N 155 
HOH O   H1   sing N N 156 
HOH O   H2   sing N N 157 
ILE N   CA   sing N N 158 
ILE N   H    sing N N 159 
ILE N   H2   sing N N 160 
ILE CA  C    sing N N 161 
ILE CA  CB   sing N N 162 
ILE CA  HA   sing N N 163 
ILE C   O    doub N N 164 
ILE C   OXT  sing N N 165 
ILE CB  CG1  sing N N 166 
ILE CB  CG2  sing N N 167 
ILE CB  HB   sing N N 168 
ILE CG1 CD1  sing N N 169 
ILE CG1 HG12 sing N N 170 
ILE CG1 HG13 sing N N 171 
ILE CG2 HG21 sing N N 172 
ILE CG2 HG22 sing N N 173 
ILE CG2 HG23 sing N N 174 
ILE CD1 HD11 sing N N 175 
ILE CD1 HD12 sing N N 176 
ILE CD1 HD13 sing N N 177 
ILE OXT HXT  sing N N 178 
LEU N   CA   sing N N 179 
LEU N   H    sing N N 180 
LEU N   H2   sing N N 181 
LEU CA  C    sing N N 182 
LEU CA  CB   sing N N 183 
LEU CA  HA   sing N N 184 
LEU C   O    doub N N 185 
LEU C   OXT  sing N N 186 
LEU CB  CG   sing N N 187 
LEU CB  HB2  sing N N 188 
LEU CB  HB3  sing N N 189 
LEU CG  CD1  sing N N 190 
LEU CG  CD2  sing N N 191 
LEU CG  HG   sing N N 192 
LEU CD1 HD11 sing N N 193 
LEU CD1 HD12 sing N N 194 
LEU CD1 HD13 sing N N 195 
LEU CD2 HD21 sing N N 196 
LEU CD2 HD22 sing N N 197 
LEU CD2 HD23 sing N N 198 
LEU OXT HXT  sing N N 199 
LYS N   CA   sing N N 200 
LYS N   H    sing N N 201 
LYS N   H2   sing N N 202 
LYS CA  C    sing N N 203 
LYS CA  CB   sing N N 204 
LYS CA  HA   sing N N 205 
LYS C   O    doub N N 206 
LYS C   OXT  sing N N 207 
LYS CB  CG   sing N N 208 
LYS CB  HB2  sing N N 209 
LYS CB  HB3  sing N N 210 
LYS CG  CD   sing N N 211 
LYS CG  HG2  sing N N 212 
LYS CG  HG3  sing N N 213 
LYS CD  CE   sing N N 214 
LYS CD  HD2  sing N N 215 
LYS CD  HD3  sing N N 216 
LYS CE  NZ   sing N N 217 
LYS CE  HE2  sing N N 218 
LYS CE  HE3  sing N N 219 
LYS NZ  HZ1  sing N N 220 
LYS NZ  HZ2  sing N N 221 
LYS NZ  HZ3  sing N N 222 
LYS OXT HXT  sing N N 223 
MET N   CA   sing N N 224 
MET N   H    sing N N 225 
MET N   H2   sing N N 226 
MET CA  C    sing N N 227 
MET CA  CB   sing N N 228 
MET CA  HA   sing N N 229 
MET C   O    doub N N 230 
MET C   OXT  sing N N 231 
MET CB  CG   sing N N 232 
MET CB  HB2  sing N N 233 
MET CB  HB3  sing N N 234 
MET CG  SD   sing N N 235 
MET CG  HG2  sing N N 236 
MET CG  HG3  sing N N 237 
MET SD  CE   sing N N 238 
MET CE  HE1  sing N N 239 
MET CE  HE2  sing N N 240 
MET CE  HE3  sing N N 241 
MET OXT HXT  sing N N 242 
NH3 N   HN1  sing N N 243 
NH3 N   HN2  sing N N 244 
NH3 N   HN3  sing N N 245 
PHE N   CA   sing N N 246 
PHE N   H    sing N N 247 
PHE N   H2   sing N N 248 
PHE CA  C    sing N N 249 
PHE CA  CB   sing N N 250 
PHE CA  HA   sing N N 251 
PHE C   O    doub N N 252 
PHE C   OXT  sing N N 253 
PHE CB  CG   sing N N 254 
PHE CB  HB2  sing N N 255 
PHE CB  HB3  sing N N 256 
PHE CG  CD1  doub Y N 257 
PHE CG  CD2  sing Y N 258 
PHE CD1 CE1  sing Y N 259 
PHE CD1 HD1  sing N N 260 
PHE CD2 CE2  doub Y N 261 
PHE CD2 HD2  sing N N 262 
PHE CE1 CZ   doub Y N 263 
PHE CE1 HE1  sing N N 264 
PHE CE2 CZ   sing Y N 265 
PHE CE2 HE2  sing N N 266 
PHE CZ  HZ   sing N N 267 
PHE OXT HXT  sing N N 268 
PRO N   CA   sing N N 269 
PRO N   CD   sing N N 270 
PRO N   H    sing N N 271 
PRO CA  C    sing N N 272 
PRO CA  CB   sing N N 273 
PRO CA  HA   sing N N 274 
PRO C   O    doub N N 275 
PRO C   OXT  sing N N 276 
PRO CB  CG   sing N N 277 
PRO CB  HB2  sing N N 278 
PRO CB  HB3  sing N N 279 
PRO CG  CD   sing N N 280 
PRO CG  HG2  sing N N 281 
PRO CG  HG3  sing N N 282 
PRO CD  HD2  sing N N 283 
PRO CD  HD3  sing N N 284 
PRO OXT HXT  sing N N 285 
SER N   CA   sing N N 286 
SER N   H    sing N N 287 
SER N   H2   sing N N 288 
SER CA  C    sing N N 289 
SER CA  CB   sing N N 290 
SER CA  HA   sing N N 291 
SER C   O    doub N N 292 
SER C   OXT  sing N N 293 
SER CB  OG   sing N N 294 
SER CB  HB2  sing N N 295 
SER CB  HB3  sing N N 296 
SER OG  HG   sing N N 297 
SER OXT HXT  sing N N 298 
THR N   CA   sing N N 299 
THR N   H    sing N N 300 
THR N   H2   sing N N 301 
THR CA  C    sing N N 302 
THR CA  CB   sing N N 303 
THR CA  HA   sing N N 304 
THR C   O    doub N N 305 
THR C   OXT  sing N N 306 
THR CB  OG1  sing N N 307 
THR CB  CG2  sing N N 308 
THR CB  HB   sing N N 309 
THR OG1 HG1  sing N N 310 
THR CG2 HG21 sing N N 311 
THR CG2 HG22 sing N N 312 
THR CG2 HG23 sing N N 313 
THR OXT HXT  sing N N 314 
TRP N   CA   sing N N 315 
TRP N   H    sing N N 316 
TRP N   H2   sing N N 317 
TRP CA  C    sing N N 318 
TRP CA  CB   sing N N 319 
TRP CA  HA   sing N N 320 
TRP C   O    doub N N 321 
TRP C   OXT  sing N N 322 
TRP CB  CG   sing N N 323 
TRP CB  HB2  sing N N 324 
TRP CB  HB3  sing N N 325 
TRP CG  CD1  doub Y N 326 
TRP CG  CD2  sing Y N 327 
TRP CD1 NE1  sing Y N 328 
TRP CD1 HD1  sing N N 329 
TRP CD2 CE2  doub Y N 330 
TRP CD2 CE3  sing Y N 331 
TRP NE1 CE2  sing Y N 332 
TRP NE1 HE1  sing N N 333 
TRP CE2 CZ2  sing Y N 334 
TRP CE3 CZ3  doub Y N 335 
TRP CE3 HE3  sing N N 336 
TRP CZ2 CH2  doub Y N 337 
TRP CZ2 HZ2  sing N N 338 
TRP CZ3 CH2  sing Y N 339 
TRP CZ3 HZ3  sing N N 340 
TRP CH2 HH2  sing N N 341 
TRP OXT HXT  sing N N 342 
TYR N   CA   sing N N 343 
TYR N   H    sing N N 344 
TYR N   H2   sing N N 345 
TYR CA  C    sing N N 346 
TYR CA  CB   sing N N 347 
TYR CA  HA   sing N N 348 
TYR C   O    doub N N 349 
TYR C   OXT  sing N N 350 
TYR CB  CG   sing N N 351 
TYR CB  HB2  sing N N 352 
TYR CB  HB3  sing N N 353 
TYR CG  CD1  doub Y N 354 
TYR CG  CD2  sing Y N 355 
TYR CD1 CE1  sing Y N 356 
TYR CD1 HD1  sing N N 357 
TYR CD2 CE2  doub Y N 358 
TYR CD2 HD2  sing N N 359 
TYR CE1 CZ   doub Y N 360 
TYR CE1 HE1  sing N N 361 
TYR CE2 CZ   sing Y N 362 
TYR CE2 HE2  sing N N 363 
TYR CZ  OH   sing N N 364 
TYR OH  HH   sing N N 365 
TYR OXT HXT  sing N N 366 
VAL N   CA   sing N N 367 
VAL N   H    sing N N 368 
VAL N   H2   sing N N 369 
VAL CA  C    sing N N 370 
VAL CA  CB   sing N N 371 
VAL CA  HA   sing N N 372 
VAL C   O    doub N N 373 
VAL C   OXT  sing N N 374 
VAL CB  CG1  sing N N 375 
VAL CB  CG2  sing N N 376 
VAL CB  HB   sing N N 377 
VAL CG1 HG11 sing N N 378 
VAL CG1 HG12 sing N N 379 
VAL CG1 HG13 sing N N 380 
VAL CG2 HG21 sing N N 381 
VAL CG2 HG22 sing N N 382 
VAL CG2 HG23 sing N N 383 
VAL OXT HXT  sing N N 384 
# 
_pdbx_audit_support.funding_organization   
'NextGenerationEU-MUR PNRR Extended Partnership initiative on Emerging Infectious Diseases (INF-ACT)' 
_pdbx_audit_support.country                Italy 
_pdbx_audit_support.grant_number           2022JMFC3X 
_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   193l 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9HLK 
_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]   0.012755 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.012755 
_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]   0.027086 
_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 
_atom_type.pdbx_scat_Z 
_atom_type.pdbx_N_electrons 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
C  6  6  2.310  20.844 1.020  10.208 1.589  0.569  0.865 51.651 0.216   
CL 17 17 11.460 0.010  7.196  1.166  6.255  18.519 1.645 47.778 -9.338  
H  1  1  0.493  10.511 0.323  26.126 0.140  3.142  0.041 57.800 0.003   
I  53 53 20.147 4.347  18.995 0.381  7.514  27.766 2.273 66.878 3.768   
N  7  7  12.222 0.006  3.135  9.893  2.014  28.997 1.167 0.583  -11.538 
O  8  8  3.049  13.277 2.287  5.701  1.546  0.324  0.867 32.909 0.251   
PT 78 78 27.022 1.513  17.774 8.812  15.722 0.425  5.787 38.610 3.217   
S  16 16 6.905  1.468  5.203  22.215 1.438  0.254  1.586 56.172 1.056   
# 
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_site.calc_flag 
ATOM   1    N  N   . LYS A 1 1   ? 2.870   9.847  9.593  1.000 41.177  ? 1   LYS AAA N   1 ? 
ATOM   2    C  CA  . LYS A 1 1   ? 1.931   10.405 8.548  1.000 39.554  ? 1   LYS AAA CA  1 ? 
ATOM   3    C  C   . LYS A 1 1   ? 2.094   11.923 8.461  1.000 41.405  ? 1   LYS AAA C   1 ? 
ATOM   4    O  O   . LYS A 1 1   ? 1.955   12.591 9.520  1.000 43.611  ? 1   LYS AAA O   1 ? 
ATOM   5    C  CB  . LYS A 1 1   ? 0.489   10.071 8.923  1.000 39.273  ? 1   LYS AAA CB  1 ? 
ATOM   6    C  CG  . LYS A 1 1   ? -0.534  10.440 7.868  1.000 45.496  ? 1   LYS AAA CG  1 ? 
ATOM   7    C  CD  . LYS A 1 1   ? -1.843  9.776  8.165  1.000 46.430  ? 1   LYS AAA CD  1 ? 
ATOM   8    C  CE  . LYS A 1 1   ? -2.969  10.327 7.319  1.000 52.833  ? 1   LYS AAA CE  1 ? 
ATOM   9    N  NZ  . LYS A 1 1   ? -4.271  10.155 8.008  1.000 53.058  ? 1   LYS AAA NZ  1 ? 
ATOM   10   N  N   . VAL A 1 2   ? 2.359   12.419 7.253  1.000 39.031  ? 2   VAL AAA N   1 ? 
ATOM   11   C  CA  . VAL A 1 2   ? 2.220   13.847 6.865  1.000 39.603  ? 2   VAL AAA CA  1 ? 
ATOM   12   C  C   . VAL A 1 2   ? 0.812   14.028 6.325  1.000 40.795  ? 2   VAL AAA C   1 ? 
ATOM   13   O  O   . VAL A 1 2   ? 0.558   13.587 5.176  1.000 40.484  ? 2   VAL AAA O   1 ? 
ATOM   14   C  CB  . VAL A 1 2   ? 3.270   14.286 5.838  1.000 35.261  ? 2   VAL AAA CB  1 ? 
ATOM   15   C  CG1 . VAL A 1 2   ? 3.177   15.782 5.583  1.000 38.662  ? 2   VAL AAA CG1 1 ? 
ATOM   16   C  CG2 . VAL A 1 2   ? 4.667   13.931 6.291  1.000 33.322  ? 2   VAL AAA CG2 1 ? 
ATOM   17   N  N   . PHE A 1 3   ? -0.047  14.627 7.148  1.000 37.893  ? 3   PHE AAA N   1 ? 
ATOM   18   C  CA  . PHE A 1 3   ? -1.461  14.933 6.844  1.000 40.032  ? 3   PHE AAA CA  1 ? 
ATOM   19   C  C   . PHE A 1 3   ? -1.537  16.006 5.774  1.000 41.402  ? 3   PHE AAA C   1 ? 
ATOM   20   O  O   . PHE A 1 3   ? -0.727  16.933 5.800  1.000 39.534  ? 3   PHE AAA O   1 ? 
ATOM   21   C  CB  . PHE A 1 3   ? -2.169  15.505 8.061  1.000 40.472  ? 3   PHE AAA CB  1 ? 
ATOM   22   C  CG  . PHE A 1 3   ? -2.768  14.460 8.939  1.000 37.436  ? 3   PHE AAA CG  1 ? 
ATOM   23   C  CD1 . PHE A 1 3   ? -2.028  13.877 9.966  1.000 35.803  ? 3   PHE AAA CD1 1 ? 
ATOM   24   C  CD2 . PHE A 1 3   ? -4.090  14.102 8.747  1.000 38.247  ? 3   PHE AAA CD2 1 ? 
ATOM   25   C  CE1 . PHE A 1 3   ? -2.595  12.892 10.754 1.000 43.950  ? 3   PHE AAA CE1 1 ? 
ATOM   26   C  CE2 . PHE A 1 3   ? -4.655  13.117 9.539  1.000 33.289  ? 3   PHE AAA CE2 1 ? 
ATOM   27   C  CZ  . PHE A 1 3   ? -3.909  12.526 10.550 1.000 41.135  ? 3   PHE AAA CZ  1 ? 
ATOM   28   N  N   . GLY A 1 4   ? -2.515  15.907 4.871  1.000 46.070  ? 4   GLY AAA N   1 ? 
ATOM   29   C  CA  . GLY A 1 4   ? -2.929  17.067 4.067  1.000 41.693  ? 4   GLY AAA CA  1 ? 
ATOM   30   C  C   . GLY A 1 4   ? -3.600  18.117 4.940  1.000 35.172  ? 4   GLY AAA C   1 ? 
ATOM   31   O  O   . GLY A 1 4   ? -4.171  17.743 5.980  1.000 40.007  ? 4   GLY AAA O   1 ? 
ATOM   32   N  N   . ARG A 1 5   ? -3.566  19.385 4.512  1.000 42.350  ? 5   ARG AAA N   1 ? 
ATOM   33   C  CA  . ARG A 1 5   ? -4.196  20.528 5.228  1.000 38.209  ? 5   ARG AAA CA  1 ? 
ATOM   34   C  C   . ARG A 1 5   ? -5.668  20.218 5.547  1.000 40.114  ? 5   ARG AAA C   1 ? 
ATOM   35   O  O   . ARG A 1 5   ? -6.037  20.278 6.728  1.000 41.221  ? 5   ARG AAA O   1 ? 
ATOM   36   C  CB  . ARG A 1 5   ? -4.041  21.823 4.428  1.000 42.377  ? 5   ARG AAA CB  1 ? 
ATOM   37   C  CG  . ARG A 1 5   ? -4.728  23.011 5.091  1.000 42.411  ? 5   ARG AAA CG  1 ? 
ATOM   38   C  CD  . ARG A 1 5   ? -4.605  24.294 4.289  1.000 46.185  ? 5   ARG AAA CD  1 ? 
ATOM   39   N  NE  . ARG A 1 5   ? -5.093  24.151 2.926  1.000 49.571  ? 5   ARG AAA NE  1 ? 
ATOM   40   C  CZ  . ARG A 1 5   ? -6.342  24.390 2.518  1.000 51.244  ? 5   ARG AAA CZ  1 ? 
ATOM   41   N  NH1 . ARG A 1 5   ? -7.283  24.809 3.347  1.000 48.443  ? 5   ARG AAA NH1 1 ? 
ATOM   42   N  NH2 . ARG A 1 5   ? -6.640  24.219 1.254  1.000 45.868  ? 5   ARG AAA NH2 1 ? 
ATOM   43   N  N   . CYS A 1 6   ? -6.493  19.893 4.542  1.000 43.513  ? 6   CYS AAA N   1 ? 
ATOM   44   C  CA  . CYS A 1 6   ? -7.961  19.638 4.704  1.000 46.353  ? 6   CYS AAA CA  1 ? 
ATOM   45   C  C   . CYS A 1 6   ? -8.161  18.288 5.406  1.000 42.797  ? 6   CYS AAA C   1 ? 
ATOM   46   O  O   . CYS A 1 6   ? -9.065  18.161 6.299  1.000 39.298  ? 6   CYS AAA O   1 ? 
ATOM   47   C  CB  . CYS A 1 6   ? -8.690  19.701 3.352  1.000 52.812  ? 6   CYS AAA CB  1 ? 
ATOM   48   S  SG  . CYS A 1 6   ? -8.708  21.367 2.617  1.000 58.326  ? 6   CYS AAA SG  1 ? 
ATOM   49   N  N   . GLU A 1 7   ? -7.332  17.313 5.042  1.000 41.748  ? 7   GLU AAA N   1 ? 
ATOM   50   C  CA  . GLU A 1 7   ? -7.249  16.005 5.739  1.000 47.106  ? 7   GLU AAA CA  1 ? 
ATOM   51   C  C   . GLU A 1 7   ? -7.173  16.258 7.252  1.000 44.334  ? 7   GLU AAA C   1 ? 
ATOM   52   O  O   . GLU A 1 7   ? -7.967  15.689 7.991  1.000 37.113  ? 7   GLU AAA O   1 ? 
ATOM   53   C  CB  . GLU A 1 7   ? -6.058  15.212 5.198  1.000 53.808  ? 7   GLU AAA CB  1 ? 
ATOM   54   C  CG  . GLU A 1 7   ? -6.064  13.748 5.592  1.000 58.220  ? 7   GLU AAA CG  1 ? 
ATOM   55   C  CD  . GLU A 1 7   ? -4.807  12.969 5.222  1.000 57.696  ? 7   GLU AAA CD  1 ? 
ATOM   56   O  OE1 . GLU A 1 7   ? -3.806  13.596 4.810  1.000 56.215  ? 7   GLU AAA OE1 1 ? 
ATOM   57   O  OE2 . GLU A 1 7   ? -4.832  11.728 5.340  1.000 75.542  ? 7   GLU AAA OE2 1 ? 
ATOM   58   N  N   . LEU A 1 8   ? -6.277  17.123 7.709  1.000 41.104  ? 8   LEU AAA N   1 ? 
ATOM   59   C  CA  . LEU A 1 8   ? -6.040  17.272 9.165  1.000 36.360  ? 8   LEU AAA CA  1 ? 
ATOM   60   C  C   . LEU A 1 8   ? -7.224  18.008 9.785  1.000 39.792  ? 8   LEU AAA C   1 ? 
ATOM   61   O  O   . LEU A 1 8   ? -7.701  17.600 10.885 1.000 32.625  ? 8   LEU AAA O   1 ? 
ATOM   62   C  CB  . LEU A 1 8   ? -4.732  18.049 9.368  1.000 39.442  ? 8   LEU AAA CB  1 ? 
ATOM   63   C  CG  . LEU A 1 8   ? -4.395  18.285 10.834 1.000 36.124  ? 8   LEU AAA CG  1 ? 
ATOM   64   C  CD1 . LEU A 1 8   ? -4.288  16.968 11.540 1.000 33.788  ? 8   LEU AAA CD1 1 ? 
ATOM   65   C  CD2 . LEU A 1 8   ? -3.137  19.097 11.012 1.000 39.187  ? 8   LEU AAA CD2 1 ? 
ATOM   66   N  N   . ALA A 1 9   ? -7.720  19.046 9.095  1.000 39.292  ? 9   ALA AAA N   1 ? 
ATOM   67   C  CA  . ALA A 1 9   ? -8.861  19.861 9.607  1.000 34.372  ? 9   ALA AAA CA  1 ? 
ATOM   68   C  C   . ALA A 1 9   ? -10.039 18.927 9.910  1.000 37.228  ? 9   ALA AAA C   1 ? 
ATOM   69   O  O   . ALA A 1 9   ? -10.579 18.942 11.048 1.000 40.104  ? 9   ALA AAA O   1 ? 
ATOM   70   C  CB  . ALA A 1 9   ? -9.226  20.966 8.641  1.000 29.841  ? 9   ALA AAA CB  1 ? 
ATOM   71   N  N   . ALA A 1 10  ? -10.308 18.010 8.991  1.000 40.661  ? 10  ALA AAA N   1 ? 
ATOM   72   C  CA  . ALA A 1 10  ? -11.359 16.985 9.121  1.000 38.117  ? 10  ALA AAA CA  1 ? 
ATOM   73   C  C   . ALA A 1 10  ? -11.111 16.152 10.387 1.000 40.278  ? 10  ALA AAA C   1 ? 
ATOM   74   O  O   . ALA A 1 10  ? -12.020 16.080 11.231 1.000 39.994  ? 10  ALA AAA O   1 ? 
ATOM   75   C  CB  . ALA A 1 10  ? -11.389 16.183 7.845  1.000 43.405  ? 10  ALA AAA CB  1 ? 
ATOM   76   N  N   . ALA A 1 11  ? -9.905  15.583 10.559 1.000 42.692  ? 11  ALA AAA N   1 ? 
ATOM   77   C  CA  . ALA A 1 11  ? -9.555  14.757 11.736 1.000 39.752  ? 11  ALA AAA CA  1 ? 
ATOM   78   C  C   . ALA A 1 11  ? -9.754  15.573 13.021 1.000 38.686  ? 11  ALA AAA C   1 ? 
ATOM   79   O  O   . ALA A 1 11  ? -10.298 15.054 14.008 1.000 38.697  ? 11  ALA AAA O   1 ? 
ATOM   80   C  CB  . ALA A 1 11  ? -8.137  14.277 11.597 1.000 43.758  ? 11  ALA AAA CB  1 ? 
ATOM   81   N  N   . MET A 1 12  ? -9.261  16.805 13.039 1.000 38.633  ? 12  MET AAA N   1 ? 
ATOM   82   C  CA  . MET A 1 12  ? -9.336  17.652 14.256 1.000 35.511  ? 12  MET AAA CA  1 ? 
ATOM   83   C  C   . MET A 1 12  ? -10.819 17.863 14.622 1.000 37.852  ? 12  MET AAA C   1 ? 
ATOM   84   O  O   . MET A 1 12  ? -11.160 17.618 15.778 1.000 44.445  ? 12  MET AAA O   1 ? 
ATOM   85   C  CB  . MET A 1 12  ? -8.578  18.956 14.036 1.000 32.207  ? 12  MET AAA CB  1 ? 
ATOM   86   C  CG  . MET A 1 12  ? -7.072  18.729 14.055 1.000 33.971  ? 12  MET AAA CG  1 ? 
ATOM   87   S  SD  . MET A 1 12  ? -6.093  20.230 13.929 1.000 40.713  ? 12  MET AAA SD  1 ? 
ATOM   88   C  CE  . MET A 1 12  ? -4.546  19.701 14.670 1.000 35.068  ? 12  MET AAA CE  1 ? 
ATOM   89   N  N   . LYS A 1 13  ? -11.685 18.138 13.639 1.000 45.067  ? 13  LYS AAA N   1 ? 
ATOM   90   C  CA  . LYS A 1 13  ? -13.150 18.350 13.850 1.000 51.531  ? 13  LYS AAA CA  1 ? 
ATOM   91   C  C   . LYS A 1 13  ? -13.770 17.078 14.426 1.000 49.051  ? 13  LYS AAA C   1 ? 
ATOM   92   O  O   . LYS A 1 13  ? -14.471 17.163 15.456 1.000 40.343  ? 13  LYS AAA O   1 ? 
ATOM   93   C  CB  . LYS A 1 13  ? -13.876 18.730 12.557 1.000 55.410  ? 13  LYS AAA CB  1 ? 
ATOM   94   C  CG  . LYS A 1 13  ? -15.345 19.107 12.759 1.000 69.119  ? 13  LYS AAA CG  1 ? 
ATOM   95   C  CD  . LYS A 1 13  ? -16.167 19.269 11.482 1.000 72.134  ? 13  LYS AAA CD  1 ? 
ATOM   96   C  CE  . LYS A 1 13  ? -17.606 18.789 11.587 1.000 77.277  ? 13  LYS AAA CE  1 ? 
ATOM   97   N  NZ  . LYS A 1 13  ? -18.437 19.690 12.417 1.000 79.753  ? 13  LYS AAA NZ  1 ? 
ATOM   98   N  N   . ARG A 1 14  ? -13.491 15.937 13.797 1.000 48.984  ? 14  ARG AAA N   1 ? 
ATOM   99   C  CA  . ARG A 1 14  ? -13.823 14.578 14.316 1.000 50.715  ? 14  ARG AAA CA  1 ? 
ATOM   100  C  C   . ARG A 1 14  ? -13.504 14.514 15.814 1.000 53.000  ? 14  ARG AAA C   1 ? 
ATOM   101  O  O   . ARG A 1 14  ? -14.403 14.268 16.617 1.000 44.675  ? 14  ARG AAA O   1 ? 
ATOM   102  C  CB  . ARG A 1 14  ? -13.005 13.530 13.548 1.000 60.567  ? 14  ARG AAA CB  1 ? 
ATOM   103  C  CG  . ARG A 1 14  ? -13.824 12.401 12.950 1.000 63.025  ? 14  ARG AAA CG  1 ? 
ATOM   104  C  CD  . ARG A 1 14  ? -13.762 11.115 13.748 1.000 67.921  ? 14  ARG AAA CD  1 ? 
ATOM   105  N  NE  . ARG A 1 14  ? -12.466 10.462 13.648 1.000 63.513  ? 14  ARG AAA NE  1 ? 
ATOM   106  C  CZ  . ARG A 1 14  ? -12.122 9.402  14.357 1.000 60.346  ? 14  ARG AAA CZ  1 ? 
ATOM   107  N  NH1 . ARG A 1 14  ? -12.971 8.853  15.206 1.000 62.358  ? 14  ARG AAA NH1 1 ? 
ATOM   108  N  NH2 . ARG A 1 14  ? -10.909 8.915  14.249 1.000 68.069  ? 14  ARG AAA NH2 1 ? 
ATOM   109  N  N   . HIS A 1 15  ? -12.257 14.787 16.200 1.000 51.285  ? 15  HIS AAA N   1 ? 
ATOM   110  C  CA  . HIS A 1 15  ? -11.778 14.542 17.583 1.000 44.827  ? 15  HIS AAA CA  1 ? 
ATOM   111  C  C   . HIS A 1 15  ? -12.137 15.714 18.492 1.000 44.735  ? 15  HIS AAA C   1 ? 
ATOM   112  O  O   . HIS A 1 15  ? -11.704 15.695 19.641 1.000 45.235  ? 15  HIS AAA O   1 ? 
ATOM   113  C  CB  . HIS A 1 15  ? -10.295 14.246 17.572 1.000 47.318  ? 15  HIS AAA CB  1 ? 
ATOM   114  C  CG  . HIS A 1 15  ? -9.965  12.996 16.839 1.000 49.810  ? 15  HIS AAA CG  1 ? 
ATOM   115  N  ND1 . HIS A 1 15  ? -10.240 11.749 17.335 1.000 54.137  ? 15  HIS AAA ND1 1 ? 
ATOM   116  C  CD2 . HIS A 1 15  ? -9.386  12.812 15.647 1.000 52.689  ? 15  HIS AAA CD2 1 ? 
ATOM   117  C  CE1 . HIS A 1 15  ? -9.814  10.849 16.487 1.000 52.171  ? 15  HIS AAA CE1 1 ? 
ATOM   118  N  NE2 . HIS A 1 15  ? -9.267  11.480 15.474 1.000 57.897  ? 15  HIS AAA NE2 1 ? 
ATOM   119  N  N   . GLY A 1 16  ? -12.892 16.689 17.984 1.000 49.482  ? 16  GLY AAA N   1 ? 
ATOM   120  C  CA  . GLY A 1 16  ? -13.626 17.673 18.797 1.000 50.327  ? 16  GLY AAA CA  1 ? 
ATOM   121  C  C   . GLY A 1 16  ? -12.818 18.900 19.188 1.000 51.343  ? 16  GLY AAA C   1 ? 
ATOM   122  O  O   . GLY A 1 16  ? -13.171 19.499 20.229 1.000 51.254  ? 16  GLY AAA O   1 ? 
ATOM   123  N  N   . LEU A 1 17  ? -11.835 19.308 18.373 1.000 53.325  ? 17  LEU AAA N   1 ? 
ATOM   124  C  CA  . LEU A 1 17  ? -11.005 20.545 18.561 1.000 49.479  ? 17  LEU AAA CA  1 ? 
ATOM   125  C  C   . LEU A 1 17  ? -11.745 21.807 18.063 1.000 54.226  ? 17  LEU AAA C   1 ? 
ATOM   126  O  O   . LEU A 1 17  ? -11.561 22.880 18.714 1.000 45.120  ? 17  LEU AAA O   1 ? 
ATOM   127  C  CB  . LEU A 1 17  ? -9.664  20.391 17.825 1.000 42.676  ? 17  LEU AAA CB  1 ? 
ATOM   128  C  CG  . LEU A 1 17  ? -8.533  19.687 18.575 1.000 38.563  ? 17  LEU AAA CG  1 ? 
ATOM   129  C  CD1 . LEU A 1 17  ? -7.245  19.793 17.746 1.000 33.765  ? 17  LEU AAA CD1 1 ? 
ATOM   130  C  CD2 . LEU A 1 17  ? -8.338  20.279 19.974 1.000 40.789  ? 17  LEU AAA CD2 1 ? 
ATOM   131  N  N   . ASP A 1 18  ? -12.523 21.742 16.963 1.000 57.556  ? 18  ASP AAA N   1 ? 
ATOM   132  C  CA  . ASP A 1 18  ? -13.209 22.948 16.396 1.000 61.519  ? 18  ASP AAA CA  1 ? 
ATOM   133  C  C   . ASP A 1 18  ? -13.976 23.659 17.515 1.000 54.680  ? 18  ASP AAA C   1 ? 
ATOM   134  O  O   . ASP A 1 18  ? -14.843 23.028 18.133 1.000 51.228  ? 18  ASP AAA O   1 ? 
ATOM   135  C  CB  . ASP A 1 18  ? -14.190 22.684 15.245 1.000 66.817  ? 18  ASP AAA CB  1 ? 
ATOM   136  C  CG  . ASP A 1 18  ? -14.699 23.953 14.546 1.000 73.018  ? 18  ASP AAA CG  1 ? 
ATOM   137  O  OD1 . ASP A 1 18  ? -14.382 25.092 15.000 1.000 68.460  ? 18  ASP AAA OD1 1 ? 
ATOM   138  O  OD2 . ASP A 1 18  ? -15.404 23.808 13.526 1.000 81.448  ? 18  ASP AAA OD2 1 ? 
ATOM   139  N  N   A ASN A 1 19  ? -13.632 24.926 17.766 0.500 51.644  ? 19  ASN AAA N   1 ? 
ATOM   140  N  N   B ASN A 1 19  ? -13.606 24.921 17.755 0.500 50.495  ? 19  ASN AAA N   1 ? 
ATOM   141  C  CA  A ASN A 1 19  ? -14.249 25.817 18.783 0.500 50.486  ? 19  ASN AAA CA  1 ? 
ATOM   142  C  CA  B ASN A 1 19  ? -14.125 25.848 18.793 0.500 47.968  ? 19  ASN AAA CA  1 ? 
ATOM   143  C  C   A ASN A 1 19  ? -13.979 25.280 20.210 0.500 49.630  ? 19  ASN AAA C   1 ? 
ATOM   144  C  C   B ASN A 1 19  ? -13.951 25.287 20.212 0.500 48.560  ? 19  ASN AAA C   1 ? 
ATOM   145  O  O   A ASN A 1 19  ? -14.631 25.777 21.141 0.500 46.989  ? 19  ASN AAA O   1 ? 
ATOM   146  O  O   B ASN A 1 19  ? -14.633 25.776 21.126 0.500 46.213  ? 19  ASN AAA O   1 ? 
ATOM   147  C  CB  A ASN A 1 19  ? -15.743 26.029 18.477 0.500 53.634  ? 19  ASN AAA CB  1 ? 
ATOM   148  C  CB  B ASN A 1 19  ? -15.582 26.224 18.548 0.500 50.232  ? 19  ASN AAA CB  1 ? 
ATOM   149  C  CG  A ASN A 1 19  ? -16.062 26.245 17.005 0.500 50.362  ? 19  ASN AAA CG  1 ? 
ATOM   150  C  CG  B ASN A 1 19  ? -15.842 27.595 19.116 0.500 44.174  ? 19  ASN AAA CG  1 ? 
ATOM   151  O  OD1 A ASN A 1 19  ? -15.714 27.264 16.418 0.500 52.597  ? 19  ASN AAA OD1 1 ? 
ATOM   152  O  OD1 B ASN A 1 19  ? -15.200 28.554 18.695 0.500 41.993  ? 19  ASN AAA OD1 1 ? 
ATOM   153  N  ND2 A ASN A 1 19  ? -16.756 25.302 16.392 0.500 44.103  ? 19  ASN AAA ND2 1 ? 
ATOM   154  N  ND2 B ASN A 1 19  ? -16.713 27.678 20.107 0.500 43.708  ? 19  ASN AAA ND2 1 ? 
ATOM   155  N  N   . TYR A 1 20  ? -13.026 24.353 20.415 1.000 49.085  ? 20  TYR AAA N   1 ? 
ATOM   156  C  CA  . TYR A 1 20  ? -12.715 23.790 21.761 1.000 45.883  ? 20  TYR AAA CA  1 ? 
ATOM   157  C  C   . TYR A 1 20  ? -12.020 24.871 22.595 1.000 51.026  ? 20  TYR AAA C   1 ? 
ATOM   158  O  O   . TYR A 1 20  ? -10.997 25.405 22.110 1.000 40.468  ? 20  TYR AAA O   1 ? 
ATOM   159  C  CB  . TYR A 1 20  ? -11.837 22.543 21.683 1.000 47.798  ? 20  TYR AAA CB  1 ? 
ATOM   160  C  CG  . TYR A 1 20  ? -11.711 21.865 23.022 1.000 49.015  ? 20  TYR AAA CG  1 ? 
ATOM   161  C  CD1 . TYR A 1 20  ? -10.701 22.217 23.897 1.000 45.102  ? 20  TYR AAA CD1 1 ? 
ATOM   162  C  CD2 . TYR A 1 20  ? -12.638 20.922 23.443 1.000 46.207  ? 20  TYR AAA CD2 1 ? 
ATOM   163  C  CE1 . TYR A 1 20  ? -10.597 21.640 25.156 1.000 51.446  ? 20  TYR AAA CE1 1 ? 
ATOM   164  C  CE2 . TYR A 1 20  ? -12.539 20.320 24.689 1.000 52.343  ? 20  TYR AAA CE2 1 ? 
ATOM   165  C  CZ  . TYR A 1 20  ? -11.521 20.687 25.553 1.000 49.803  ? 20  TYR AAA CZ  1 ? 
ATOM   166  O  OH  . TYR A 1 20  ? -11.396 20.114 26.783 1.000 49.117  ? 20  TYR AAA OH  1 ? 
ATOM   167  N  N   . ARG A 1 21  ? -12.583 25.198 23.768 1.000 47.373  ? 21  ARG AAA N   1 ? 
ATOM   168  C  CA  . ARG A 1 21  ? -12.208 26.374 24.605 1.000 52.054  ? 21  ARG AAA CA  1 ? 
ATOM   169  C  C   . ARG A 1 21  ? -12.205 27.653 23.739 1.000 45.337  ? 21  ARG AAA C   1 ? 
ATOM   170  O  O   . ARG A 1 21  ? -11.441 28.576 24.031 1.000 47.114  ? 21  ARG AAA O   1 ? 
ATOM   171  C  CB  . ARG A 1 21  ? -10.858 26.128 25.288 1.000 55.230  ? 21  ARG AAA CB  1 ? 
ATOM   172  C  CG  . ARG A 1 21  ? -10.947 25.815 26.774 1.000 68.511  ? 21  ARG AAA CG  1 ? 
ATOM   173  C  CD  . ARG A 1 21  ? -11.491 26.984 27.584 1.000 81.543  ? 21  ARG AAA CD  1 ? 
ATOM   174  N  NE  . ARG A 1 21  ? -10.736 27.278 28.800 1.000 83.750  ? 21  ARG AAA NE  1 ? 
ATOM   175  C  CZ  . ARG A 1 21  ? -10.751 26.550 29.919 1.000 83.186  ? 21  ARG AAA CZ  1 ? 
ATOM   176  N  NH1 . ARG A 1 21  ? -11.467 25.439 30.005 1.000 84.270  ? 21  ARG AAA NH1 1 ? 
ATOM   177  N  NH2 . ARG A 1 21  ? -10.021 26.933 30.950 1.000 81.460  ? 21  ARG AAA NH2 1 ? 
ATOM   178  N  N   . GLY A 1 22  ? -13.094 27.743 22.753 1.000 45.406  ? 22  GLY AAA N   1 ? 
ATOM   179  C  CA  . GLY A 1 22  ? -13.321 28.980 21.971 1.000 45.902  ? 22  GLY AAA CA  1 ? 
ATOM   180  C  C   . GLY A 1 22  ? -12.323 29.188 20.834 1.000 46.296  ? 22  GLY AAA C   1 ? 
ATOM   181  O  O   . GLY A 1 22  ? -12.293 30.320 20.260 1.000 38.653  ? 22  GLY AAA O   1 ? 
ATOM   182  N  N   . TYR A 1 23  ? -11.465 28.205 20.552 1.000 37.203  ? 23  TYR AAA N   1 ? 
ATOM   183  C  CA  . TYR A 1 23  ? -10.475 28.293 19.443 1.000 37.798  ? 23  TYR AAA CA  1 ? 
ATOM   184  C  C   . TYR A 1 23  ? -11.063 27.597 18.223 1.000 35.394  ? 23  TYR AAA C   1 ? 
ATOM   185  O  O   . TYR A 1 23  ? -11.148 26.334 18.230 1.000 34.403  ? 23  TYR AAA O   1 ? 
ATOM   186  C  CB  . TYR A 1 23  ? -9.115  27.694 19.830 1.000 36.298  ? 23  TYR AAA CB  1 ? 
ATOM   187  C  CG  . TYR A 1 23  ? -8.388  28.529 20.841 1.000 31.428  ? 23  TYR AAA CG  1 ? 
ATOM   188  C  CD1 . TYR A 1 23  ? -7.560  29.569 20.456 1.000 32.529  ? 23  TYR AAA CD1 1 ? 
ATOM   189  C  CD2 . TYR A 1 23  ? -8.578  28.306 22.189 1.000 38.819  ? 23  TYR AAA CD2 1 ? 
ATOM   190  C  CE1 . TYR A 1 23  ? -6.911  30.361 21.387 1.000 33.886  ? 23  TYR AAA CE1 1 ? 
ATOM   191  C  CE2 . TYR A 1 23  ? -7.927  29.077 23.133 1.000 35.799  ? 23  TYR AAA CE2 1 ? 
ATOM   192  C  CZ  . TYR A 1 23  ? -7.107  30.127 22.730 1.000 37.249  ? 23  TYR AAA CZ  1 ? 
ATOM   193  O  OH  . TYR A 1 23  ? -6.475  30.897 23.657 1.000 31.436  ? 23  TYR AAA OH  1 ? 
ATOM   194  N  N   . SER A 1 24  ? -11.423 28.372 17.203 1.000 37.290  ? 24  SER AAA N   1 ? 
ATOM   195  C  CA  . SER A 1 24  ? -11.913 27.850 15.902 1.000 43.134  ? 24  SER AAA CA  1 ? 
ATOM   196  C  C   . SER A 1 24  ? -10.885 26.873 15.345 1.000 41.641  ? 24  SER AAA C   1 ? 
ATOM   197  O  O   . SER A 1 24  ? -9.676  26.985 15.708 1.000 46.528  ? 24  SER AAA O   1 ? 
ATOM   198  C  CB  . SER A 1 24  ? -12.195 28.941 14.901 1.000 43.886  ? 24  SER AAA CB  1 ? 
ATOM   199  O  OG  . SER A 1 24  ? -10.981 29.545 14.473 1.000 50.076  ? 24  SER AAA OG  1 ? 
ATOM   200  N  N   . LEU A 1 25  ? -11.346 26.025 14.427 1.000 38.829  ? 25  LEU AAA N   1 ? 
ATOM   201  C  CA  . LEU A 1 25  ? -10.554 24.961 13.765 1.000 40.879  ? 25  LEU AAA CA  1 ? 
ATOM   202  C  C   . LEU A 1 25  ? -9.341  25.536 13.020 1.000 39.189  ? 25  LEU AAA C   1 ? 
ATOM   203  O  O   . LEU A 1 25  ? -8.283  24.847 13.012 1.000 36.619  ? 25  LEU AAA O   1 ? 
ATOM   204  C  CB  . LEU A 1 25  ? -11.499 24.227 12.822 1.000 46.224  ? 25  LEU AAA CB  1 ? 
ATOM   205  C  CG  . LEU A 1 25  ? -11.002 22.934 12.186 1.000 45.893  ? 25  LEU AAA CG  1 ? 
ATOM   206  C  CD1 . LEU A 1 25  ? -10.733 21.871 13.225 1.000 50.080  ? 25  LEU AAA CD1 1 ? 
ATOM   207  C  CD2 . LEU A 1 25  ? -12.052 22.440 11.205 1.000 46.760  ? 25  LEU AAA CD2 1 ? 
ATOM   208  N  N   . GLY A 1 26  ? -9.454  26.696 12.371 1.000 34.846  ? 26  GLY AAA N   1 ? 
ATOM   209  C  CA  . GLY A 1 26  ? -8.296  27.354 11.705 1.000 38.895  ? 26  GLY AAA CA  1 ? 
ATOM   210  C  C   . GLY A 1 26  ? -7.111  27.587 12.642 1.000 37.009  ? 26  GLY AAA C   1 ? 
ATOM   211  O  O   . GLY A 1 26  ? -5.940  27.513 12.209 1.000 37.026  ? 26  GLY AAA O   1 ? 
ATOM   212  N  N   . ASN A 1 27  ? -7.381  27.830 13.914 1.000 36.397  ? 27  ASN AAA N   1 ? 
ATOM   213  C  CA  . ASN A 1 27  ? -6.312  28.047 14.924 1.000 36.783  ? 27  ASN AAA CA  1 ? 
ATOM   214  C  C   . ASN A 1 27  ? -5.513  26.757 15.088 1.000 34.677  ? 27  ASN AAA C   1 ? 
ATOM   215  O  O   . ASN A 1 27  ? -4.256  26.816 15.074 1.000 33.471  ? 27  ASN AAA O   1 ? 
ATOM   216  C  CB  . ASN A 1 27  ? -6.905  28.488 16.260 1.000 33.794  ? 27  ASN AAA CB  1 ? 
ATOM   217  C  CG  . ASN A 1 27  ? -7.273  29.958 16.294 1.000 40.877  ? 27  ASN AAA CG  1 ? 
ATOM   218  O  OD1 . ASN A 1 27  ? -6.382  30.809 16.364 1.000 35.297  ? 27  ASN AAA OD1 1 ? 
ATOM   219  N  ND2 . ASN A 1 27  ? -8.577  30.261 16.308 1.000 39.748  ? 27  ASN AAA ND2 1 ? 
ATOM   220  N  N   . TRP A 1 28  ? -6.201  25.624 15.252 1.000 35.357  ? 28  TRP AAA N   1 ? 
ATOM   221  C  CA  . TRP A 1 28  ? -5.542  24.316 15.488 1.000 34.033  ? 28  TRP AAA CA  1 ? 
ATOM   222  C  C   . TRP A 1 28  ? -4.733  23.901 14.249 1.000 33.827  ? 28  TRP AAA C   1 ? 
ATOM   223  O  O   . TRP A 1 28  ? -3.708  23.292 14.413 1.000 33.693  ? 28  TRP AAA O   1 ? 
ATOM   224  C  CB  . TRP A 1 28  ? -6.578  23.262 15.874 1.000 34.135  ? 28  TRP AAA CB  1 ? 
ATOM   225  C  CG  . TRP A 1 28  ? -7.239  23.591 17.163 1.000 33.778  ? 28  TRP AAA CG  1 ? 
ATOM   226  C  CD1 . TRP A 1 28  ? -8.463  24.173 17.319 1.000 37.194  ? 28  TRP AAA CD1 1 ? 
ATOM   227  C  CD2 . TRP A 1 28  ? -6.680  23.462 18.481 1.000 36.250  ? 28  TRP AAA CD2 1 ? 
ATOM   228  N  NE1 . TRP A 1 28  ? -8.732  24.360 18.644 1.000 36.047  ? 28  TRP AAA NE1 1 ? 
ATOM   229  C  CE2 . TRP A 1 28  ? -7.654  23.940 19.381 1.000 34.327  ? 28  TRP AAA CE2 1 ? 
ATOM   230  C  CE3 . TRP A 1 28  ? -5.481  22.949 18.992 1.000 34.474  ? 28  TRP AAA CE3 1 ? 
ATOM   231  C  CZ2 . TRP A 1 28  ? -7.459  23.917 20.763 1.000 35.919  ? 28  TRP AAA CZ2 1 ? 
ATOM   232  C  CZ3 . TRP A 1 28  ? -5.294  22.928 20.353 1.000 34.493  ? 28  TRP AAA CZ3 1 ? 
ATOM   233  C  CH2 . TRP A 1 28  ? -6.272  23.402 21.229 1.000 36.703  ? 28  TRP AAA CH2 1 ? 
ATOM   234  N  N   . VAL A 1 29  ? -5.197  24.179 13.034 1.000 33.138  ? 29  VAL AAA N   1 ? 
ATOM   235  C  CA  . VAL A 1 29  ? -4.508  23.733 11.785 1.000 31.832  ? 29  VAL AAA CA  1 ? 
ATOM   236  C  C   . VAL A 1 29  ? -3.312  24.626 11.517 1.000 32.259  ? 29  VAL AAA C   1 ? 
ATOM   237  O  O   . VAL A 1 29  ? -2.304  24.124 10.987 1.000 34.014  ? 29  VAL AAA O   1 ? 
ATOM   238  C  CB  . VAL A 1 29  ? -5.461  23.761 10.579 1.000 31.703  ? 29  VAL AAA CB  1 ? 
ATOM   239  C  CG1 . VAL A 1 29  ? -4.763  23.560 9.231  1.000 27.225  ? 29  VAL AAA CG1 1 ? 
ATOM   240  C  CG2 . VAL A 1 29  ? -6.561  22.736 10.763 1.000 34.795  ? 29  VAL AAA CG2 1 ? 
ATOM   241  N  N   . CYS A 1 30  ? -3.449  25.922 11.729 1.000 29.732  ? 30  CYS AAA N   1 ? 
ATOM   242  C  CA  . CYS A 1 30  ? -2.313  26.853 11.561 1.000 33.835  ? 30  CYS AAA CA  1 ? 
ATOM   243  C  C   . CYS A 1 30  ? -1.211  26.425 12.538 1.000 34.191  ? 30  CYS AAA C   1 ? 
ATOM   244  O  O   . CYS A 1 30  ? -0.068  26.423 12.130 1.000 33.352  ? 30  CYS AAA O   1 ? 
ATOM   245  C  CB  . CYS A 1 30  ? -2.751  28.291 11.798 1.000 36.388  ? 30  CYS AAA CB  1 ? 
ATOM   246  S  SG  . CYS A 1 30  ? -1.409  29.497 11.629 1.000 40.196  ? 30  CYS AAA SG  1 ? 
ATOM   247  N  N   . ALA A 1 31  ? -1.558  26.060 13.790 1.000 35.290  ? 31  ALA AAA N   1 ? 
ATOM   248  C  CA  . ALA A 1 31  ? -0.564  25.682 14.829 1.000 33.652  ? 31  ALA AAA CA  1 ? 
ATOM   249  C  C   . ALA A 1 31  ? 0.151   24.394 14.403 1.000 33.919  ? 31  ALA AAA C   1 ? 
ATOM   250  O  O   . ALA A 1 31  ? 1.400   24.411 14.352 1.000 36.185  ? 31  ALA AAA O   1 ? 
ATOM   251  C  CB  . ALA A 1 31  ? -1.196  25.587 16.212 1.000 33.871  ? 31  ALA AAA CB  1 ? 
ATOM   252  N  N   . ALA A 1 32  ? -0.594  23.343 14.035 1.000 29.368  ? 32  ALA AAA N   1 ? 
ATOM   253  C  CA  . ALA A 1 32  ? -0.034  22.083 13.512 1.000 30.319  ? 32  ALA AAA CA  1 ? 
ATOM   254  C  C   . ALA A 1 32  ? 0.891   22.385 12.326 1.000 31.298  ? 32  ALA AAA C   1 ? 
ATOM   255  O  O   . ALA A 1 32  ? 1.950   21.779 12.258 1.000 27.836  ? 32  ALA AAA O   1 ? 
ATOM   256  C  CB  . ALA A 1 32  ? -1.117  21.121 13.096 1.000 28.336  ? 32  ALA AAA CB  1 ? 
ATOM   257  N  N   . LYS A 1 33  ? 0.535   23.343 11.482 1.000 30.678  ? 33  LYS AAA N   1 ? 
ATOM   258  C  CA  . LYS A 1 33  ? 1.364   23.713 10.306 1.000 31.544  ? 33  LYS AAA CA  1 ? 
ATOM   259  C  C   . LYS A 1 33  ? 2.773   24.170 10.717 1.000 31.895  ? 33  LYS AAA C   1 ? 
ATOM   260  O  O   . LYS A 1 33  ? 3.792   23.697 10.144 1.000 31.429  ? 33  LYS AAA O   1 ? 
ATOM   261  C  CB  . LYS A 1 33  ? 0.684   24.849 9.553  1.000 37.304  ? 33  LYS AAA CB  1 ? 
ATOM   262  C  CG  . LYS A 1 33  ? 1.518   25.375 8.392  1.000 38.757  ? 33  LYS AAA CG  1 ? 
ATOM   263  C  CD  . LYS A 1 33  ? 1.707   24.422 7.248  1.000 36.145  ? 33  LYS AAA CD  1 ? 
ATOM   264  C  CE  . LYS A 1 33  ? 2.711   24.903 6.215  1.000 40.487  ? 33  LYS AAA CE  1 ? 
ATOM   265  N  NZ  . LYS A 1 33  ? 3.097   23.795 5.313  1.000 45.498  ? 33  LYS AAA NZ  1 ? 
ATOM   266  N  N   . PHE A 1 34  ? 2.857   25.087 11.666 1.000 30.002  ? 34  PHE AAA N   1 ? 
ATOM   267  C  CA  . PHE A 1 34  ? 4.127   25.736 12.037 1.000 35.410  ? 34  PHE AAA CA  1 ? 
ATOM   268  C  C   . PHE A 1 34  ? 4.819   24.932 13.125 1.000 33.260  ? 34  PHE AAA C   1 ? 
ATOM   269  O  O   . PHE A 1 34  ? 5.995   25.135 13.281 1.000 41.754  ? 34  PHE AAA O   1 ? 
ATOM   270  C  CB  . PHE A 1 34  ? 3.878   27.202 12.397 1.000 31.914  ? 34  PHE AAA CB  1 ? 
ATOM   271  C  CG  . PHE A 1 34  ? 3.462   27.986 11.181 1.000 33.410  ? 34  PHE AAA CG  1 ? 
ATOM   272  C  CD1 . PHE A 1 34  ? 4.172   27.886 9.993  1.000 36.230  ? 34  PHE AAA CD1 1 ? 
ATOM   273  C  CD2 . PHE A 1 34  ? 2.369   28.831 11.223 1.000 35.948  ? 34  PHE AAA CD2 1 ? 
ATOM   274  C  CE1 . PHE A 1 34  ? 3.782   28.592 8.856  1.000 34.390  ? 34  PHE AAA CE1 1 ? 
ATOM   275  C  CE2 . PHE A 1 34  ? 1.989   29.544 10.100 1.000 35.434  ? 34  PHE AAA CE2 1 ? 
ATOM   276  C  CZ  . PHE A 1 34  ? 2.688   29.426 8.925  1.000 32.865  ? 34  PHE AAA CZ  1 ? 
ATOM   277  N  N   . GLU A 1 35  ? 4.109   24.041 13.807 1.000 31.914  ? 35  GLU AAA N   1 ? 
ATOM   278  C  CA  . GLU A 1 35  ? 4.734   23.207 14.870 1.000 31.128  ? 35  GLU AAA CA  1 ? 
ATOM   279  C  C   . GLU A 1 35  ? 5.406   22.003 14.206 1.000 31.708  ? 35  GLU AAA C   1 ? 
ATOM   280  O  O   . GLU A 1 35  ? 6.473   21.655 14.559 1.000 26.928  ? 35  GLU AAA O   1 ? 
ATOM   281  C  CB  . GLU A 1 35  ? 3.683   22.778 15.889 1.000 31.761  ? 35  GLU AAA CB  1 ? 
ATOM   282  C  CG  . GLU A 1 35  ? 3.275   23.882 16.853 1.000 37.318  ? 35  GLU AAA CG  1 ? 
ATOM   283  C  CD  . GLU A 1 35  ? 4.351   24.391 17.797 1.000 40.178  ? 35  GLU AAA CD  1 ? 
ATOM   284  O  OE1 . GLU A 1 35  ? 5.442   23.780 17.833 1.000 38.049  ? 35  GLU AAA OE1 1 ? 
ATOM   285  O  OE2 . GLU A 1 35  ? 4.085   25.390 18.492 1.000 41.689  ? 35  GLU AAA OE2 1 ? 
ATOM   286  N  N   . SER A 1 36  ? 4.782   21.391 13.207 1.000 27.960  ? 36  SER AAA N   1 ? 
ATOM   287  C  CA  . SER A 1 36  ? 5.180   20.043 12.754 1.000 28.786  ? 36  SER AAA CA  1 ? 
ATOM   288  C  C   . SER A 1 36  ? 5.106   19.938 11.245 1.000 30.467  ? 36  SER AAA C   1 ? 
ATOM   289  O  O   . SER A 1 36  ? 5.417   18.871 10.735 1.000 27.996  ? 36  SER AAA O   1 ? 
ATOM   290  C  CB  . SER A 1 36  ? 4.275   19.037 13.386 1.000 28.446  ? 36  SER AAA CB  1 ? 
ATOM   291  O  OG  . SER A 1 36  ? 2.954   19.170 12.883 1.000 25.179  ? 36  SER AAA OG  1 ? 
ATOM   292  N  N   . ASN A 1 37  ? 4.637   20.973 10.548 1.000 31.651  ? 37  ASN AAA N   1 ? 
ATOM   293  C  CA  . ASN A 1 37  ? 4.411   20.843 9.087  1.000 32.833  ? 37  ASN AAA CA  1 ? 
ATOM   294  C  C   . ASN A 1 37  ? 3.472   19.669 8.809  1.000 29.647  ? 37  ASN AAA C   1 ? 
ATOM   295  O  O   . ASN A 1 37  ? 3.692   18.931 7.829  1.000 34.294  ? 37  ASN AAA O   1 ? 
ATOM   296  C  CB  . ASN A 1 37  ? 5.721   20.610 8.341  1.000 34.997  ? 37  ASN AAA CB  1 ? 
ATOM   297  C  CG  . ASN A 1 37  ? 5.614   21.130 6.943  1.000 38.584  ? 37  ASN AAA CG  1 ? 
ATOM   298  O  OD1 . ASN A 1 37  ? 4.616   21.747 6.594  1.000 38.928  ? 37  ASN AAA OD1 1 ? 
ATOM   299  N  ND2 . ASN A 1 37  ? 6.627   20.879 6.142  1.000 43.459  ? 37  ASN AAA ND2 1 ? 
ATOM   300  N  N   . PHE A 1 38  ? 2.508   19.420 9.711  1.000 29.886  ? 38  PHE AAA N   1 ? 
ATOM   301  C  CA  . PHE A 1 38  ? 1.460   18.374 9.580  1.000 31.301  ? 38  PHE AAA CA  1 ? 
ATOM   302  C  C   . PHE A 1 38  ? 2.030   16.948 9.696  1.000 31.606  ? 38  PHE AAA C   1 ? 
ATOM   303  O  O   . PHE A 1 38  ? 1.363   16.008 9.277  1.000 32.080  ? 38  PHE AAA O   1 ? 
ATOM   304  C  CB  . PHE A 1 38  ? 0.722   18.571 8.244  1.000 34.139  ? 38  PHE AAA CB  1 ? 
ATOM   305  C  CG  . PHE A 1 38  ? 0.014   19.894 8.029  1.000 31.166  ? 38  PHE AAA CG  1 ? 
ATOM   306  C  CD1 . PHE A 1 38  ? -0.677  20.519 9.042  1.000 27.932  ? 38  PHE AAA CD1 1 ? 
ATOM   307  C  CD2 . PHE A 1 38  ? 0.022   20.492 6.779  1.000 40.104  ? 38  PHE AAA CD2 1 ? 
ATOM   308  C  CE1 . PHE A 1 38  ? -1.335  21.723 8.843  1.000 33.531  ? 38  PHE AAA CE1 1 ? 
ATOM   309  C  CE2 . PHE A 1 38  ? -0.628  21.702 6.573  1.000 40.699  ? 38  PHE AAA CE2 1 ? 
ATOM   310  C  CZ  . PHE A 1 38  ? -1.341  22.292 7.594  1.000 36.164  ? 38  PHE AAA CZ  1 ? 
ATOM   311  N  N   . ASN A 1 39  ? 3.223   16.776 10.276 1.000 29.428  ? 39  ASN AAA N   1 ? 
ATOM   312  C  CA  . ASN A 1 39  ? 3.913   15.473 10.352 1.000 27.662  ? 39  ASN AAA CA  1 ? 
ATOM   313  C  C   . ASN A 1 39  ? 3.670   14.929 11.750 1.000 29.920  ? 39  ASN AAA C   1 ? 
ATOM   314  O  O   . ASN A 1 39  ? 4.185   15.543 12.664 1.000 32.641  ? 39  ASN AAA O   1 ? 
ATOM   315  C  CB  . ASN A 1 39  ? 5.399   15.679 10.081 1.000 28.119  ? 39  ASN AAA CB  1 ? 
ATOM   316  C  CG  . ASN A 1 39  ? 6.213   14.421 9.979  1.000 28.032  ? 39  ASN AAA CG  1 ? 
ATOM   317  O  OD1 . ASN A 1 39  ? 5.730   13.318 10.274 1.000 31.212  ? 39  ASN AAA OD1 1 ? 
ATOM   318  N  ND2 . ASN A 1 39  ? 7.434   14.569 9.451  1.000 29.088  ? 39  ASN AAA ND2 1 ? 
ATOM   319  N  N   . THR A 1 40  ? 2.952   13.822 11.889 1.000 26.543  ? 40  THR AAA N   1 ? 
ATOM   320  C  CA  . THR A 1 40  ? 2.733   13.141 13.182 1.000 30.307  ? 40  THR AAA CA  1 ? 
ATOM   321  C  C   . THR A 1 40  ? 4.049   12.641 13.786 1.000 28.025  ? 40  THR AAA C   1 ? 
ATOM   322  O  O   . THR A 1 40  ? 4.045   12.343 15.002 1.000 35.573  ? 40  THR AAA O   1 ? 
ATOM   323  C  CB  . THR A 1 40  ? 1.782   11.966 13.043 1.000 34.026  ? 40  THR AAA CB  1 ? 
ATOM   324  O  OG1 . THR A 1 40  ? 2.520   10.976 12.321 1.000 36.059  ? 40  THR AAA OG1 1 ? 
ATOM   325  C  CG2 . THR A 1 40  ? 0.513   12.400 12.347 1.000 32.359  ? 40  THR AAA CG2 1 ? 
ATOM   326  N  N   . GLN A 1 41  ? 5.118   12.537 13.013 1.000 29.445  ? 41  GLN AAA N   1 ? 
ATOM   327  C  CA  . GLN A 1 41  ? 6.373   11.900 13.499 1.000 31.042  ? 41  GLN AAA CA  1 ? 
ATOM   328  C  C   . GLN A 1 41  ? 7.384   12.954 13.947 1.000 28.900  ? 41  GLN AAA C   1 ? 
ATOM   329  O  O   . GLN A 1 41  ? 8.438   12.551 14.361 1.000 34.329  ? 41  GLN AAA O   1 ? 
ATOM   330  C  CB  . GLN A 1 41  ? 6.961   10.984 12.430 1.000 30.460  ? 41  GLN AAA CB  1 ? 
ATOM   331  C  CG  . GLN A 1 41  ? 6.151   9.703  12.262 1.000 34.727  ? 41  GLN AAA CG  1 ? 
ATOM   332  C  CD  . GLN A 1 41  ? 6.953   8.605  11.623 1.000 32.750  ? 41  GLN AAA CD  1 ? 
ATOM   333  O  OE1 . GLN A 1 41  ? 7.509   7.757  12.312 1.000 37.119  ? 41  GLN AAA OE1 1 ? 
ATOM   334  N  NE2 . GLN A 1 41  ? 6.990   8.602  10.300 1.000 35.154  ? 41  GLN AAA NE2 1 ? 
ATOM   335  N  N   . ALA A 1 42  ? 7.104   14.254 13.845 1.000 28.267  ? 42  ALA AAA N   1 ? 
ATOM   336  C  CA  . ALA A 1 42  ? 8.059   15.351 14.188 1.000 25.858  ? 42  ALA AAA CA  1 ? 
ATOM   337  C  C   . ALA A 1 42  ? 8.448   15.309 15.677 1.000 27.562  ? 42  ALA AAA C   1 ? 
ATOM   338  O  O   . ALA A 1 42  ? 7.577   15.096 16.506 1.000 25.036  ? 42  ALA AAA O   1 ? 
ATOM   339  C  CB  . ALA A 1 42  ? 7.496   16.723 13.881 1.000 27.141  ? 42  ALA AAA CB  1 ? 
ATOM   340  N  N   . THR A 1 43  ? 9.749   15.409 15.939 1.000 26.947  ? 43  THR AAA N   1 ? 
ATOM   341  C  CA  . THR A 1 43  ? 10.376  15.562 17.272 1.000 28.882  ? 43  THR AAA CA  1 ? 
ATOM   342  C  C   . THR A 1 43  ? 11.367  16.702 17.171 1.000 31.758  ? 43  THR AAA C   1 ? 
ATOM   343  O  O   . THR A 1 43  ? 11.986  16.878 16.115 1.000 30.960  ? 43  THR AAA O   1 ? 
ATOM   344  C  CB  . THR A 1 43  ? 11.048  14.285 17.796 1.000 32.092  ? 43  THR AAA CB  1 ? 
ATOM   345  O  OG1 . THR A 1 43  ? 12.131  14.000 16.922 1.000 33.551  ? 43  THR AAA OG1 1 ? 
ATOM   346  C  CG2 . THR A 1 43  ? 10.129  13.078 17.882 1.000 31.111  ? 43  THR AAA CG2 1 ? 
ATOM   347  N  N   . ASN A 1 44  ? 11.457  17.499 18.224 1.000 31.429  ? 44  ASN AAA N   1 ? 
ATOM   348  C  CA  . ASN A 1 44  ? 12.492  18.548 18.303 1.000 33.340  ? 44  ASN AAA CA  1 ? 
ATOM   349  C  C   . ASN A 1 44  ? 12.967  18.614 19.748 1.000 31.178  ? 44  ASN AAA C   1 ? 
ATOM   350  O  O   . ASN A 1 44  ? 12.106  18.663 20.674 1.000 27.731  ? 44  ASN AAA O   1 ? 
ATOM   351  C  CB  . ASN A 1 44  ? 11.948  19.872 17.784 1.000 34.946  ? 44  ASN AAA CB  1 ? 
ATOM   352  C  CG  . ASN A 1 44  ? 11.650  19.761 16.295 1.000 36.681  ? 44  ASN AAA CG  1 ? 
ATOM   353  O  OD1 . ASN A 1 44  ? 10.495  19.591 15.885 1.000 43.787  ? 44  ASN AAA OD1 1 ? 
ATOM   354  N  ND2 . ASN A 1 44  ? 12.693  19.828 15.484 1.000 34.345  ? 44  ASN AAA ND2 1 ? 
ATOM   355  N  N   A ARG A 1 45  ? 14.288  18.665 19.931 0.500 31.721  ? 45  ARG AAA N   1 ? 
ATOM   356  N  N   B ARG A 1 45  ? 14.283  18.582 19.930 0.500 31.709  ? 45  ARG AAA N   1 ? 
ATOM   357  C  CA  A ARG A 1 45  ? 14.948  18.729 21.266 0.500 30.649  ? 45  ARG AAA CA  1 ? 
ATOM   358  C  CA  B ARG A 1 45  ? 14.877  18.763 21.274 0.500 30.934  ? 45  ARG AAA CA  1 ? 
ATOM   359  C  C   A ARG A 1 45  ? 15.003  20.186 21.752 0.500 33.397  ? 45  ARG AAA C   1 ? 
ATOM   360  C  C   B ARG A 1 45  ? 14.725  20.227 21.683 0.500 33.538  ? 45  ARG AAA C   1 ? 
ATOM   361  O  O   A ARG A 1 45  ? 15.512  21.053 20.995 0.500 28.955  ? 45  ARG AAA O   1 ? 
ATOM   362  O  O   B ARG A 1 45  ? 14.778  21.127 20.804 0.500 29.097  ? 45  ARG AAA O   1 ? 
ATOM   363  C  CB  A ARG A 1 45  ? 16.349  18.118 21.179 0.500 31.914  ? 45  ARG AAA CB  1 ? 
ATOM   364  C  CB  B ARG A 1 45  ? 16.351  18.377 21.332 0.500 32.551  ? 45  ARG AAA CB  1 ? 
ATOM   365  C  CG  A ARG A 1 45  ? 16.946  17.792 22.541 0.500 32.532  ? 45  ARG AAA CG  1 ? 
ATOM   366  C  CG  B ARG A 1 45  ? 16.836  18.310 22.774 0.500 31.842  ? 45  ARG AAA CG  1 ? 
ATOM   367  C  CD  A ARG A 1 45  ? 16.373  16.489 23.055 0.500 33.732  ? 45  ARG AAA CD  1 ? 
ATOM   368  C  CD  B ARG A 1 45  ? 16.116  17.141 23.396 0.500 31.514  ? 45  ARG AAA CD  1 ? 
ATOM   369  N  NE  A ARG A 1 45  ? 16.667  16.193 24.447 0.500 34.696  ? 45  ARG AAA NE  1 ? 
ATOM   370  N  NE  B ARG A 1 45  ? 16.470  16.050 22.512 0.500 33.702  ? 45  ARG AAA NE  1 ? 
ATOM   371  C  CZ  A ARG A 1 45  ? 17.478  15.225 24.850 0.500 33.791  ? 45  ARG AAA CZ  1 ? 
ATOM   372  C  CZ  B ARG A 1 45  ? 17.630  15.428 22.585 0.500 32.093  ? 45  ARG AAA CZ  1 ? 
ATOM   373  N  NH1 A ARG A 1 45  ? 18.085  14.464 23.960 0.500 36.489  ? 45  ARG AAA NH1 1 ? 
ATOM   374  N  NH1 B ARG A 1 45  ? 18.439  15.713 23.588 0.500 32.848  ? 45  ARG AAA NH1 1 ? 
ATOM   375  N  NH2 A ARG A 1 45  ? 17.653  14.994 26.131 0.500 31.112  ? 45  ARG AAA NH2 1 ? 
ATOM   376  N  NH2 B ARG A 1 45  ? 17.946  14.494 21.715 0.500 30.032  ? 45  ARG AAA NH2 1 ? 
ATOM   377  N  N   . ASN A 1 46  ? 14.538  20.457 22.977 1.000 31.326  ? 46  ASN AAA N   1 ? 
ATOM   378  C  CA  . ASN A 1 46  ? 14.593  21.823 23.550 1.000 35.906  ? 46  ASN AAA CA  1 ? 
ATOM   379  C  C   . ASN A 1 46  ? 15.974  22.007 24.200 1.000 33.688  ? 46  ASN AAA C   1 ? 
ATOM   380  O  O   . ASN A 1 46  ? 16.564  20.999 24.636 1.000 32.992  ? 46  ASN AAA O   1 ? 
ATOM   381  C  CB  . ASN A 1 46  ? 13.408  22.016 24.489 1.000 37.260  ? 46  ASN AAA CB  1 ? 
ATOM   382  C  CG  . ASN A 1 46  ? 12.098  21.865 23.753 1.000 40.977  ? 46  ASN AAA CG  1 ? 
ATOM   383  O  OD1 . ASN A 1 46  ? 11.135  21.280 24.272 1.000 40.588  ? 46  ASN AAA OD1 1 ? 
ATOM   384  N  ND2 . ASN A 1 46  ? 12.072  22.402 22.548 1.000 38.918  ? 46  ASN AAA ND2 1 ? 
ATOM   385  N  N   . THR A 1 47  ? 16.459  23.237 24.342 1.000 39.008  ? 47  THR AAA N   1 ? 
ATOM   386  C  CA  . THR A 1 47  ? 17.791  23.498 24.968 1.000 41.716  ? 47  THR AAA CA  1 ? 
ATOM   387  C  C   . THR A 1 47  ? 17.779  22.973 26.419 1.000 42.115  ? 47  THR AAA C   1 ? 
ATOM   388  O  O   . THR A 1 47  ? 18.838  22.554 26.896 1.000 38.423  ? 47  THR AAA O   1 ? 
ATOM   389  C  CB  . THR A 1 47  ? 18.161  24.981 24.916 1.000 46.151  ? 47  THR AAA CB  1 ? 
ATOM   390  O  OG1 . THR A 1 47  ? 17.210  25.621 25.766 1.000 48.804  ? 47  THR AAA OG1 1 ? 
ATOM   391  C  CG2 . THR A 1 47  ? 18.116  25.569 23.520 1.000 45.530  ? 47  THR AAA CG2 1 ? 
ATOM   392  N  N   . ASP A 1 48  ? 16.622  22.969 27.091 1.000 40.861  ? 48  ASP AAA N   1 ? 
ATOM   393  C  CA  . ASP A 1 48  ? 16.505  22.490 28.503 1.000 42.865  ? 48  ASP AAA CA  1 ? 
ATOM   394  C  C   . ASP A 1 48  ? 16.572  20.957 28.594 1.000 40.740  ? 48  ASP AAA C   1 ? 
ATOM   395  O  O   . ASP A 1 48  ? 16.417  20.426 29.731 1.000 38.999  ? 48  ASP AAA O   1 ? 
ATOM   396  C  CB  . ASP A 1 48  ? 15.217  23.009 29.147 1.000 49.534  ? 48  ASP AAA CB  1 ? 
ATOM   397  C  CG  . ASP A 1 48  ? 13.986  22.217 28.765 1.000 49.099  ? 48  ASP AAA CG  1 ? 
ATOM   398  O  OD1 . ASP A 1 48  ? 13.899  21.843 27.615 1.000 56.351  ? 48  ASP AAA OD1 1 ? 
ATOM   399  O  OD2 . ASP A 1 48  ? 13.151  21.940 29.648 1.000 58.563  ? 48  ASP AAA OD2 1 ? 
ATOM   400  N  N   . GLY A 1 49  ? 16.678  20.253 27.465 1.000 35.744  ? 49  GLY AAA N   1 ? 
ATOM   401  C  CA  . GLY A 1 49  ? 16.718  18.773 27.411 1.000 36.664  ? 49  GLY AAA CA  1 ? 
ATOM   402  C  C   . GLY A 1 49  ? 15.359  18.085 27.271 1.000 36.071  ? 49  GLY AAA C   1 ? 
ATOM   403  O  O   . GLY A 1 49  ? 15.372  16.847 26.962 1.000 36.851  ? 49  GLY AAA O   1 ? 
ATOM   404  N  N   . SER A 1 50  ? 14.236  18.801 27.426 1.000 32.294  ? 50  SER AAA N   1 ? 
ATOM   405  C  CA  . SER A 1 50  ? 12.890  18.280 27.112 1.000 30.038  ? 50  SER AAA CA  1 ? 
ATOM   406  C  C   . SER A 1 50  ? 12.793  18.065 25.580 1.000 24.239  ? 50  SER AAA C   1 ? 
ATOM   407  O  O   . SER A 1 50  ? 13.605  18.661 24.815 1.000 23.959  ? 50  SER AAA O   1 ? 
ATOM   408  C  CB  . SER A 1 50  ? 11.782  19.189 27.591 1.000 24.790  ? 50  SER AAA CB  1 ? 
ATOM   409  O  OG  . SER A 1 50  ? 11.953  20.462 26.972 1.000 29.563  ? 50  SER AAA OG  1 ? 
ATOM   410  N  N   . THR A 1 51  ? 11.796  17.327 25.125 1.000 30.256  ? 51  THR AAA N   1 ? 
ATOM   411  C  CA  . THR A 1 51  ? 11.557  17.156 23.666 1.000 26.626  ? 51  THR AAA CA  1 ? 
ATOM   412  C  C   . THR A 1 51  ? 10.087  17.457 23.349 1.000 31.443  ? 51  THR AAA C   1 ? 
ATOM   413  O  O   . THR A 1 51  ? 9.230   17.323 24.232 1.000 31.212  ? 51  THR AAA O   1 ? 
ATOM   414  C  CB  . THR A 1 51  ? 12.055  15.773 23.237 1.000 29.267  ? 51  THR AAA CB  1 ? 
ATOM   415  O  OG1 . THR A 1 51  ? 13.437  15.657 23.594 1.000 29.052  ? 51  THR AAA OG1 1 ? 
ATOM   416  C  CG2 . THR A 1 51  ? 11.942  15.553 21.748 1.000 27.618  ? 51  THR AAA CG2 1 ? 
ATOM   417  N  N   . ASP A 1 52  ? 9.817   17.958 22.141 1.000 27.574  ? 52  ASP AAA N   1 ? 
ATOM   418  C  CA  . ASP A 1 52  ? 8.437   18.242 21.662 1.000 28.704  ? 52  ASP AAA CA  1 ? 
ATOM   419  C  C   . ASP A 1 52  ? 8.045   17.152 20.665 1.000 25.469  ? 52  ASP AAA C   1 ? 
ATOM   420  O  O   . ASP A 1 52  ? 8.911   16.776 19.919 1.000 22.631  ? 52  ASP AAA O   1 ? 
ATOM   421  C  CB  . ASP A 1 52  ? 8.349   19.626 21.024 1.000 32.121  ? 52  ASP AAA CB  1 ? 
ATOM   422  C  CG  . ASP A 1 52  ? 8.649   20.793 21.960 1.000 40.571  ? 52  ASP AAA CG  1 ? 
ATOM   423  O  OD1 . ASP A 1 52  ? 8.639   20.608 23.194 1.000 43.236  ? 52  ASP AAA OD1 1 ? 
ATOM   424  O  OD2 . ASP A 1 52  ? 8.846   21.882 21.437 1.000 46.740  ? 52  ASP AAA OD2 1 ? 
ATOM   425  N  N   . TYR A 1 53  ? 6.831   16.597 20.752 1.000 28.288  ? 53  TYR AAA N   1 ? 
ATOM   426  C  CA  . TYR A 1 53  ? 6.442   15.349 20.071 1.000 29.141  ? 53  TYR AAA CA  1 ? 
ATOM   427  C  C   . TYR A 1 53  ? 5.144   15.554 19.282 1.000 31.112  ? 53  TYR AAA C   1 ? 
ATOM   428  O  O   . TYR A 1 53  ? 4.159   16.015 19.830 1.000 27.922  ? 53  TYR AAA O   1 ? 
ATOM   429  C  CB  . TYR A 1 53  ? 6.202   14.215 21.067 1.000 28.096  ? 53  TYR AAA CB  1 ? 
ATOM   430  C  CG  . TYR A 1 53  ? 7.470   13.698 21.698 1.000 30.053  ? 53  TYR AAA CG  1 ? 
ATOM   431  C  CD1 . TYR A 1 53  ? 7.946   14.295 22.854 1.000 31.023  ? 53  TYR AAA CD1 1 ? 
ATOM   432  C  CD2 . TYR A 1 53  ? 8.214   12.666 21.136 1.000 25.612  ? 53  TYR AAA CD2 1 ? 
ATOM   433  C  CE1 . TYR A 1 53  ? 9.119   13.887 23.448 1.000 29.153  ? 53  TYR AAA CE1 1 ? 
ATOM   434  C  CE2 . TYR A 1 53  ? 9.406   12.244 21.722 1.000 30.870  ? 53  TYR AAA CE2 1 ? 
ATOM   435  C  CZ  . TYR A 1 53  ? 9.832   12.851 22.900 1.000 29.113  ? 53  TYR AAA CZ  1 ? 
ATOM   436  O  OH  . TYR A 1 53  ? 10.953  12.483 23.569 1.000 28.953  ? 53  TYR AAA OH  1 ? 
ATOM   437  N  N   . GLY A 1 54  ? 5.173   15.195 18.011 1.000 30.042  ? 54  GLY AAA N   1 ? 
ATOM   438  C  CA  . GLY A 1 54  ? 3.968   15.044 17.195 1.000 26.864  ? 54  GLY AAA CA  1 ? 
ATOM   439  C  C   . GLY A 1 54  ? 3.439   16.303 16.561 1.000 27.626  ? 54  GLY AAA C   1 ? 
ATOM   440  O  O   . GLY A 1 54  ? 4.148   17.313 16.464 1.000 29.679  ? 54  GLY AAA O   1 ? 
ATOM   441  N  N   . ILE A 1 55  ? 2.229   16.182 16.036 1.000 31.362  ? 55  ILE AAA N   1 ? 
ATOM   442  C  CA  . ILE A 1 55  ? 1.558   17.172 15.139 1.000 33.316  ? 55  ILE AAA CA  1 ? 
ATOM   443  C  C   . ILE A 1 55  ? 1.475   18.525 15.856 1.000 29.516  ? 55  ILE AAA C   1 ? 
ATOM   444  O  O   . ILE A 1 55  ? 1.689   19.544 15.198 1.000 33.286  ? 55  ILE AAA O   1 ? 
ATOM   445  C  CB  . ILE A 1 55  ? 0.203   16.561 14.686 1.000 40.604  ? 55  ILE AAA CB  1 ? 
ATOM   446  C  CG1 . ILE A 1 55  ? -0.310  17.211 13.406 1.000 43.634  ? 55  ILE AAA CG1 1 ? 
ATOM   447  C  CG2 . ILE A 1 55  ? -0.829  16.572 15.814 1.000 39.188  ? 55  ILE AAA CG2 1 ? 
ATOM   448  C  CD1 . ILE A 1 55  ? -0.126  16.328 12.203 1.000 53.068  ? 55  ILE AAA CD1 1 ? 
ATOM   449  N  N   . LEU A 1 56  ? 1.318   18.540 17.188 1.000 33.255  ? 56  LEU AAA N   1 ? 
ATOM   450  C  CA  . LEU A 1 56  ? 1.209   19.771 18.005 1.000 34.039  ? 56  LEU AAA CA  1 ? 
ATOM   451  C  C   . LEU A 1 56  ? 2.413   19.968 18.948 1.000 35.910  ? 56  LEU AAA C   1 ? 
ATOM   452  O  O   . LEU A 1 56  ? 2.393   20.926 19.732 1.000 30.568  ? 56  LEU AAA O   1 ? 
ATOM   453  C  CB  . LEU A 1 56  ? -0.131  19.677 18.732 1.000 36.052  ? 56  LEU AAA CB  1 ? 
ATOM   454  C  CG  . LEU A 1 56  ? -1.319  19.992 17.809 1.000 38.229  ? 56  LEU AAA CG  1 ? 
ATOM   455  C  CD1 . LEU A 1 56  ? -2.648  19.680 18.477 1.000 40.798  ? 56  LEU AAA CD1 1 ? 
ATOM   456  C  CD2 . LEU A 1 56  ? -1.260  21.462 17.369 1.000 33.620  ? 56  LEU AAA CD2 1 ? 
ATOM   457  N  N   . GLN A 1 57  ? 3.473   19.167 18.819 1.000 32.275  ? 57  GLN AAA N   1 ? 
ATOM   458  C  CA  . GLN A 1 57  ? 4.784   19.421 19.497 1.000 28.704  ? 57  GLN AAA CA  1 ? 
ATOM   459  C  C   . GLN A 1 57  ? 4.566   19.572 21.018 1.000 30.813  ? 57  GLN AAA C   1 ? 
ATOM   460  O  O   . GLN A 1 57  ? 4.938   20.614 21.620 1.000 27.236  ? 57  GLN AAA O   1 ? 
ATOM   461  C  CB  . GLN A 1 57  ? 5.492   20.580 18.835 1.000 29.292  ? 57  GLN AAA CB  1 ? 
ATOM   462  C  CG  . GLN A 1 57  ? 6.100   20.232 17.476 1.000 30.711  ? 57  GLN AAA CG  1 ? 
ATOM   463  C  CD  . GLN A 1 57  ? 7.239   19.251 17.575 1.000 27.545  ? 57  GLN AAA CD  1 ? 
ATOM   464  O  OE1 . GLN A 1 57  ? 8.383   19.639 17.827 1.000 30.511  ? 57  GLN AAA OE1 1 ? 
ATOM   465  N  NE2 . GLN A 1 57  ? 6.969   17.995 17.252 1.000 26.595  ? 57  GLN AAA NE2 1 ? 
ATOM   466  N  N   . ILE A 1 58  ? 3.936   18.559 21.600 1.000 30.455  ? 58  ILE AAA N   1 ? 
ATOM   467  C  CA  . ILE A 1 58  ? 3.651   18.500 23.058 1.000 32.309  ? 58  ILE AAA CA  1 ? 
ATOM   468  C  C   . ILE A 1 58  ? 4.952   18.138 23.764 1.000 33.811  ? 58  ILE AAA C   1 ? 
ATOM   469  O  O   . ILE A 1 58  ? 5.686   17.247 23.302 1.000 31.423  ? 58  ILE AAA O   1 ? 
ATOM   470  C  CB  . ILE A 1 58  ? 2.456   17.576 23.350 1.000 36.717  ? 58  ILE AAA CB  1 ? 
ATOM   471  C  CG1 . ILE A 1 58  ? 1.165   18.190 22.804 1.000 38.481  ? 58  ILE AAA CG1 1 ? 
ATOM   472  C  CG2 . ILE A 1 58  ? 2.340   17.264 24.832 1.000 39.238  ? 58  ILE AAA CG2 1 ? 
ATOM   473  C  CD1 . ILE A 1 58  ? 0.005   17.221 22.673 1.000 34.143  ? 58  ILE AAA CD1 1 ? 
ATOM   474  N  N   . ASN A 1 59  ? 5.251   18.926 24.782 1.000 30.617  ? 59  ASN AAA N   1 ? 
ATOM   475  C  CA  . ASN A 1 59  ? 6.580   19.033 25.415 1.000 33.221  ? 59  ASN AAA CA  1 ? 
ATOM   476  C  C   . ASN A 1 59  ? 6.638   17.980 26.523 1.000 30.944  ? 59  ASN AAA C   1 ? 
ATOM   477  O  O   . ASN A 1 59  ? 5.729   17.961 27.339 1.000 32.983  ? 59  ASN AAA O   1 ? 
ATOM   478  C  CB  . ASN A 1 59  ? 6.802   20.475 25.853 1.000 34.625  ? 59  ASN AAA CB  1 ? 
ATOM   479  C  CG  A ASN A 1 59  ? 8.115   20.705 26.562 0.600 37.450  ? 59  ASN AAA CG  1 ? 
ATOM   480  C  CG  B ASN A 1 59  ? 8.180   20.670 26.453 0.400 34.001  ? 59  ASN AAA CG  1 ? 
ATOM   481  O  OD1 A ASN A 1 59  ? 8.332   20.121 27.612 0.600 39.084  ? 59  ASN AAA OD1 1 ? 
ATOM   482  O  OD1 B ASN A 1 59  ? 8.962   19.725 26.509 0.400 32.655  ? 59  ASN AAA OD1 1 ? 
ATOM   483  N  ND2 A ASN A 1 59  ? 8.951   21.590 26.054 0.600 41.257  ? 59  ASN AAA ND2 1 ? 
ATOM   484  N  ND2 B ASN A 1 59  ? 8.514   21.892 26.830 0.400 32.971  ? 59  ASN AAA ND2 1 ? 
ATOM   485  N  N   . SER A 1 60  ? 7.737   17.207 26.600 1.000 34.734  ? 60  SER AAA N   1 ? 
ATOM   486  C  CA  . SER A 1 60  ? 7.980   16.184 27.649 1.000 30.899  ? 60  SER AAA CA  1 ? 
ATOM   487  C  C   . SER A 1 60  ? 8.180   16.798 29.061 1.000 37.886  ? 60  SER AAA C   1 ? 
ATOM   488  O  O   . SER A 1 60  ? 8.191   16.037 30.004 1.000 35.016  ? 60  SER AAA O   1 ? 
ATOM   489  C  CB  . SER A 1 60  ? 9.156   15.315 27.280 1.000 28.153  ? 60  SER AAA CB  1 ? 
ATOM   490  O  OG  . SER A 1 60  ? 10.381  16.043 27.390 1.000 24.629  ? 60  SER AAA OG  1 ? 
ATOM   491  N  N   A ARG A 1 61  ? 8.341   18.118 29.192 0.500 40.750  ? 61  ARG AAA N   1 ? 
ATOM   492  N  N   B ARG A 1 61  ? 8.360   18.114 29.194 0.500 40.868  ? 61  ARG AAA N   1 ? 
ATOM   493  C  CA  A ARG A 1 61  ? 8.627   18.823 30.477 0.500 40.508  ? 61  ARG AAA CA  1 ? 
ATOM   494  C  CA  B ARG A 1 61  ? 8.607   18.789 30.500 0.500 40.649  ? 61  ARG AAA CA  1 ? 
ATOM   495  C  C   A ARG A 1 61  ? 7.416   18.704 31.423 0.500 41.596  ? 61  ARG AAA C   1 ? 
ATOM   496  C  C   B ARG A 1 61  ? 7.404   18.598 31.435 0.500 41.896  ? 61  ARG AAA C   1 ? 
ATOM   497  O  O   A ARG A 1 61  ? 7.653   18.586 32.641 0.500 41.633  ? 61  ARG AAA O   1 ? 
ATOM   498  O  O   B ARG A 1 61  ? 7.627   18.351 32.643 0.500 39.912  ? 61  ARG AAA O   1 ? 
ATOM   499  C  CB  A ARG A 1 61  ? 9.019   20.284 30.209 0.500 43.278  ? 61  ARG AAA CB  1 ? 
ATOM   500  C  CB  B ARG A 1 61  ? 8.850   20.293 30.345 0.500 43.522  ? 61  ARG AAA CB  1 ? 
ATOM   501  C  CG  A ARG A 1 61  ? 9.434   21.108 31.426 0.500 47.278  ? 61  ARG AAA CG  1 ? 
ATOM   502  C  CG  B ARG A 1 61  ? 8.897   21.032 31.676 0.500 46.717  ? 61  ARG AAA CG  1 ? 
ATOM   503  C  CD  A ARG A 1 61  ? 10.618  20.575 32.230 0.500 48.968  ? 61  ARG AAA CD  1 ? 
ATOM   504  C  CD  B ARG A 1 61  ? 9.647   20.240 32.737 0.500 50.833  ? 61  ARG AAA CD  1 ? 
ATOM   505  N  NE  A ARG A 1 61  ? 11.886  20.481 31.515 0.500 49.706  ? 61  ARG AAA NE  1 ? 
ATOM   506  N  NE  B ARG A 1 61  ? 9.895   21.049 33.922 0.500 51.288  ? 61  ARG AAA NE  1 ? 
ATOM   507  C  CZ  A ARG A 1 61  ? 12.959  19.832 31.966 0.500 45.874  ? 61  ARG AAA CZ  1 ? 
ATOM   508  C  CZ  B ARG A 1 61  ? 9.164   21.005 35.023 0.500 46.313  ? 61  ARG AAA CZ  1 ? 
ATOM   509  N  NH1 A ARG A 1 61  ? 12.912  19.199 33.124 0.500 44.939  ? 61  ARG AAA NH1 1 ? 
ATOM   510  N  NH1 B ARG A 1 61  ? 8.150   20.160 35.115 0.500 44.682  ? 61  ARG AAA NH1 1 ? 
ATOM   511  N  NH2 A ARG A 1 61  ? 14.067  19.802 31.251 0.500 48.090  ? 61  ARG AAA NH2 1 ? 
ATOM   512  N  NH2 B ARG A 1 61  ? 9.469   21.797 36.033 0.500 49.857  ? 61  ARG AAA NH2 1 ? 
ATOM   513  N  N   . TRP A 1 62  ? 6.190   18.655 30.884 1.000 40.428  ? 62  TRP AAA N   1 ? 
ATOM   514  C  CA  . TRP A 1 62  ? 4.915   18.693 31.646 1.000 43.153  ? 62  TRP AAA CA  1 ? 
ATOM   515  C  C   . TRP A 1 62  ? 3.986   17.532 31.331 1.000 39.108  ? 62  TRP AAA C   1 ? 
ATOM   516  O  O   . TRP A 1 62  ? 3.338   17.034 32.259 1.000 42.000  ? 62  TRP AAA O   1 ? 
ATOM   517  C  CB  . TRP A 1 62  ? 4.204   19.988 31.320 1.000 45.061  ? 62  TRP AAA CB  1 ? 
ATOM   518  C  CG  . TRP A 1 62  ? 5.022   21.162 31.723 1.000 48.967  ? 62  TRP AAA CG  1 ? 
ATOM   519  C  CD1 . TRP A 1 62  ? 5.710   22.021 30.920 1.000 52.245  ? 62  TRP AAA CD1 1 ? 
ATOM   520  C  CD2 . TRP A 1 62  ? 5.255   21.571 33.075 1.000 54.731  ? 62  TRP AAA CD2 1 ? 
ATOM   521  N  NE1 . TRP A 1 62  ? 6.345   22.960 31.684 1.000 52.395  ? 62  TRP AAA NE1 1 ? 
ATOM   522  C  CE2 . TRP A 1 62  ? 6.085   22.709 33.009 1.000 57.940  ? 62  TRP AAA CE2 1 ? 
ATOM   523  C  CE3 . TRP A 1 62  ? 4.843   21.076 34.319 1.000 59.296  ? 62  TRP AAA CE3 1 ? 
ATOM   524  C  CZ2 . TRP A 1 62  ? 6.503   23.375 34.161 1.000 65.949  ? 62  TRP AAA CZ2 1 ? 
ATOM   525  C  CZ3 . TRP A 1 62  ? 5.251   21.737 35.458 1.000 67.924  ? 62  TRP AAA CZ3 1 ? 
ATOM   526  C  CH2 . TRP A 1 62  ? 6.071   22.868 35.371 1.000 72.999  ? 62  TRP AAA CH2 1 ? 
ATOM   527  N  N   . TRP A 1 63  ? 3.885   17.162 30.055 1.000 37.167  ? 63  TRP AAA N   1 ? 
ATOM   528  C  CA  . TRP A 1 63  ? 2.666   16.554 29.470 1.000 36.050  ? 63  TRP AAA CA  1 ? 
ATOM   529  C  C   . TRP A 1 63  ? 2.821   15.068 29.180 1.000 33.545  ? 63  TRP AAA C   1 ? 
ATOM   530  O  O   . TRP A 1 63  ? 1.795   14.371 29.222 1.000 36.210  ? 63  TRP AAA O   1 ? 
ATOM   531  C  CB  . TRP A 1 63  ? 2.279   17.330 28.211 1.000 34.277  ? 63  TRP AAA CB  1 ? 
ATOM   532  C  CG  . TRP A 1 63  ? 2.073   18.788 28.462 1.000 34.248  ? 63  TRP AAA CG  1 ? 
ATOM   533  C  CD1 . TRP A 1 63  ? 2.833   19.822 28.008 1.000 35.679  ? 63  TRP AAA CD1 1 ? 
ATOM   534  C  CD2 . TRP A 1 63  ? 1.071   19.373 29.313 1.000 33.554  ? 63  TRP AAA CD2 1 ? 
ATOM   535  N  NE1 . TRP A 1 63  ? 2.339   21.015 28.461 1.000 38.804  ? 63  TRP AAA NE1 1 ? 
ATOM   536  C  CE2 . TRP A 1 63  ? 1.251   20.768 29.259 1.000 35.689  ? 63  TRP AAA CE2 1 ? 
ATOM   537  C  CE3 . TRP A 1 63  ? -0.026  18.849 30.022 1.000 38.751  ? 63  TRP AAA CE3 1 ? 
ATOM   538  C  CZ2 . TRP A 1 63  ? 0.428   21.648 29.963 1.000 38.776  ? 63  TRP AAA CZ2 1 ? 
ATOM   539  C  CZ3 . TRP A 1 63  ? -0.856  19.721 30.696 1.000 36.933  ? 63  TRP AAA CZ3 1 ? 
ATOM   540  C  CH2 . TRP A 1 63  ? -0.622  21.102 30.663 1.000 37.623  ? 63  TRP AAA CH2 1 ? 
ATOM   541  N  N   . CYS A 1 64  ? 4.012   14.571 28.863 1.000 29.035  ? 64  CYS AAA N   1 ? 
ATOM   542  C  CA  . CYS A 1 64  ? 4.184   13.138 28.469 1.000 35.164  ? 64  CYS AAA CA  1 ? 
ATOM   543  C  C   . CYS A 1 64  ? 5.494   12.583 29.048 1.000 32.669  ? 64  CYS AAA C   1 ? 
ATOM   544  O  O   . CYS A 1 64  ? 6.328   13.381 29.497 1.000 30.744  ? 64  CYS AAA O   1 ? 
ATOM   545  C  CB  . CYS A 1 64  ? 4.084   12.956 26.958 1.000 32.818  ? 64  CYS AAA CB  1 ? 
ATOM   546  S  SG  . CYS A 1 64  ? 5.401   13.794 26.043 1.000 35.050  ? 64  CYS AAA SG  1 ? 
ATOM   547  N  N   . ASN A 1 65  ? 5.592   11.264 29.187 1.000 35.586  ? 65  ASN AAA N   1 ? 
ATOM   548  C  CA  . ASN A 1 65  ? 6.828   10.603 29.668 1.000 36.915  ? 65  ASN AAA CA  1 ? 
ATOM   549  C  C   . ASN A 1 65  ? 7.688   10.140 28.480 1.000 31.696  ? 65  ASN AAA C   1 ? 
ATOM   550  O  O   . ASN A 1 65  ? 7.229   9.311  27.685 1.000 31.020  ? 65  ASN AAA O   1 ? 
ATOM   551  C  CB  . ASN A 1 65  ? 6.543   9.433  30.611 1.000 37.384  ? 65  ASN AAA CB  1 ? 
ATOM   552  C  CG  . ASN A 1 65  ? 7.845   8.813  31.060 1.000 39.358  ? 65  ASN AAA CG  1 ? 
ATOM   553  O  OD1 . ASN A 1 65  ? 8.705   9.524  31.578 1.000 39.469  ? 65  ASN AAA OD1 1 ? 
ATOM   554  N  ND2 . ASN A 1 65  ? 8.030   7.544  30.747 1.000 32.861  ? 65  ASN AAA ND2 1 ? 
ATOM   555  N  N   . ASP A 1 66  ? 8.926   10.612 28.397 1.000 33.111  ? 66  ASP AAA N   1 ? 
ATOM   556  C  CA  . ASP A 1 66  ? 9.922   10.005 27.484 1.000 34.129  ? 66  ASP AAA CA  1 ? 
ATOM   557  C  C   . ASP A 1 66  ? 11.098  9.417  28.255 1.000 36.751  ? 66  ASP AAA C   1 ? 
ATOM   558  O  O   . ASP A 1 66  ? 11.988  8.979  27.611 1.000 32.323  ? 66  ASP AAA O   1 ? 
ATOM   559  C  CB  . ASP A 1 66  ? 10.477  10.993 26.468 1.000 31.833  ? 66  ASP AAA CB  1 ? 
ATOM   560  C  CG  . ASP A 1 66  ? 11.204  12.214 27.012 1.000 32.152  ? 66  ASP AAA CG  1 ? 
ATOM   561  O  OD1 . ASP A 1 66  ? 11.522  12.252 28.231 1.000 37.912  ? 66  ASP AAA OD1 1 ? 
ATOM   562  O  OD2 . ASP A 1 66  ? 11.454  13.130 26.213 1.000 34.440  ? 66  ASP AAA OD2 1 ? 
ATOM   563  N  N   . GLY A 1 67  ? 11.115  9.455  29.583 1.000 38.930  ? 67  GLY AAA N   1 ? 
ATOM   564  C  CA  . GLY A 1 67  ? 12.130  8.719  30.362 1.000 36.528  ? 67  GLY AAA CA  1 ? 
ATOM   565  C  C   . GLY A 1 67  ? 13.526  9.320  30.314 1.000 40.968  ? 67  GLY AAA C   1 ? 
ATOM   566  O  O   . GLY A 1 67  ? 14.442  8.611  30.761 1.000 40.892  ? 67  GLY AAA O   1 ? 
ATOM   567  N  N   . ARG A 1 68  ? 13.720  10.505 29.727 1.000 35.221  ? 68  ARG AAA N   1 ? 
ATOM   568  C  CA  . ARG A 1 68  ? 15.023  11.210 29.686 1.000 38.634  ? 68  ARG AAA CA  1 ? 
ATOM   569  C  C   . ARG A 1 68  ? 14.840  12.706 29.942 1.000 41.901  ? 68  ARG AAA C   1 ? 
ATOM   570  O  O   . ARG A 1 68  ? 15.671  13.495 29.442 1.000 45.465  ? 68  ARG AAA O   1 ? 
ATOM   571  C  CB  . ARG A 1 68  ? 15.696  11.040 28.327 1.000 42.046  ? 68  ARG AAA CB  1 ? 
ATOM   572  C  CG  . ARG A 1 68  ? 14.926  11.628 27.152 1.000 47.099  ? 68  ARG AAA CG  1 ? 
ATOM   573  C  CD  . ARG A 1 68  ? 15.849  11.819 25.982 1.000 47.756  ? 68  ARG AAA CD  1 ? 
ATOM   574  N  NE  . ARG A 1 68  ? 15.378  12.703 24.942 1.000 51.397  ? 68  ARG AAA NE  1 ? 
ATOM   575  C  CZ  . ARG A 1 68  ? 15.813  12.703 23.668 1.000 57.283  ? 68  ARG AAA CZ  1 ? 
ATOM   576  N  NH1 . ARG A 1 68  ? 16.753  11.851 23.265 1.000 56.880  ? 68  ARG AAA NH1 1 ? 
ATOM   577  N  NH2 . ARG A 1 68  ? 15.324  13.589 22.805 1.000 49.579  ? 68  ARG AAA NH2 1 ? 
ATOM   578  N  N   . THR A 1 69  ? 13.775  13.112 30.638 1.000 35.383  ? 69  THR AAA N   1 ? 
ATOM   579  C  CA  . THR A 1 69  ? 13.514  14.546 30.946 1.000 39.130  ? 69  THR AAA CA  1 ? 
ATOM   580  C  C   . THR A 1 69  ? 13.507  14.720 32.470 1.000 44.550  ? 69  THR AAA C   1 ? 
ATOM   581  O  O   . THR A 1 69  ? 12.445  14.624 33.080 1.000 38.973  ? 69  THR AAA O   1 ? 
ATOM   582  C  CB  . THR A 1 69  ? 12.212  15.065 30.302 1.000 42.453  ? 69  THR AAA CB  1 ? 
ATOM   583  O  OG1 . THR A 1 69  ? 12.093  14.661 28.932 1.000 37.439  ? 69  THR AAA OG1 1 ? 
ATOM   584  C  CG2 . THR A 1 69  ? 12.133  16.569 30.365 1.000 36.447  ? 69  THR AAA CG2 1 ? 
ATOM   585  N  N   . PRO A 1 70  ? 14.687  14.926 33.112 1.000 44.748  ? 70  PRO AAA N   1 ? 
ATOM   586  C  CA  . PRO A 1 70  ? 14.781  15.116 34.566 1.000 50.617  ? 70  PRO AAA CA  1 ? 
ATOM   587  C  C   . PRO A 1 70  ? 13.800  16.115 35.200 1.000 46.116  ? 70  PRO AAA C   1 ? 
ATOM   588  O  O   . PRO A 1 70  ? 13.683  17.243 34.743 1.000 50.355  ? 70  PRO AAA O   1 ? 
ATOM   589  C  CB  . PRO A 1 70  ? 16.241  15.566 34.792 1.000 52.529  ? 70  PRO AAA CB  1 ? 
ATOM   590  C  CG  . PRO A 1 70  ? 17.015  14.934 33.633 1.000 53.488  ? 70  PRO AAA CG  1 ? 
ATOM   591  C  CD  . PRO A 1 70  ? 16.024  14.836 32.478 1.000 48.602  ? 70  PRO AAA CD  1 ? 
ATOM   592  N  N   . GLY A 1 71  ? 13.065  15.629 36.196 1.000 43.626  ? 71  GLY AAA N   1 ? 
ATOM   593  C  CA  . GLY A 1 71  ? 12.127  16.410 37.033 1.000 47.353  ? 71  GLY AAA CA  1 ? 
ATOM   594  C  C   . GLY A 1 71  ? 10.897  16.849 36.259 1.000 46.052  ? 71  GLY AAA C   1 ? 
ATOM   595  O  O   . GLY A 1 71  ? 10.320  17.899 36.578 1.000 58.665  ? 71  GLY AAA O   1 ? 
ATOM   596  N  N   . SER A 1 72  ? 10.502  16.085 35.247 1.000 51.246  ? 72  SER AAA N   1 ? 
ATOM   597  C  CA  . SER A 1 72  ? 9.312   16.428 34.441 1.000 45.282  ? 72  SER AAA CA  1 ? 
ATOM   598  C  C   . SER A 1 72  ? 8.075   15.719 34.991 1.000 45.677  ? 72  SER AAA C   1 ? 
ATOM   599  O  O   . SER A 1 72  ? 8.186   14.703 35.725 1.000 45.389  ? 72  SER AAA O   1 ? 
ATOM   600  C  CB  . SER A 1 72  ? 9.527   16.194 32.961 1.000 46.022  ? 72  SER AAA CB  1 ? 
ATOM   601  O  OG  . SER A 1 72  ? 9.817   14.849 32.656 1.000 42.338  ? 72  SER AAA OG  1 ? 
ATOM   602  N  N   . ARG A 1 73  ? 6.929   16.291 34.648 1.000 39.138  ? 73  ARG AAA N   1 ? 
ATOM   603  C  CA  . ARG A 1 73  ? 5.594   15.724 34.901 1.000 43.950  ? 73  ARG AAA CA  1 ? 
ATOM   604  C  C   . ARG A 1 73  ? 5.156   14.961 33.647 1.000 48.283  ? 73  ARG AAA C   1 ? 
ATOM   605  O  O   . ARG A 1 73  ? 5.784   15.127 32.541 1.000 43.455  ? 73  ARG AAA O   1 ? 
ATOM   606  C  CB  . ARG A 1 73  ? 4.660   16.872 35.295 1.000 48.464  ? 73  ARG AAA CB  1 ? 
ATOM   607  C  CG  . ARG A 1 73  ? 5.120   17.644 36.523 1.000 55.634  ? 73  ARG AAA CG  1 ? 
ATOM   608  C  CD  . ARG A 1 73  ? 4.819   16.900 37.814 1.000 68.435  ? 73  ARG AAA CD  1 ? 
ATOM   609  N  NE  . ARG A 1 73  ? 3.606   17.394 38.476 1.000 81.447  ? 73  ARG AAA NE  1 ? 
ATOM   610  C  CZ  . ARG A 1 73  ? 2.537   16.665 38.834 1.000 89.098  ? 73  ARG AAA CZ  1 ? 
ATOM   611  N  NH1 . ARG A 1 73  ? 2.496   15.357 38.621 1.000 87.152  ? 73  ARG AAA NH1 1 ? 
ATOM   612  N  NH2 . ARG A 1 73  ? 1.506   17.255 39.424 1.000 93.426  ? 73  ARG AAA NH2 1 ? 
ATOM   613  N  N   . ASN A 1 74  ? 4.179   14.088 33.832 1.000 37.947  ? 74  ASN AAA N   1 ? 
ATOM   614  C  CA  . ASN A 1 74  ? 3.477   13.346 32.751 1.000 38.326  ? 74  ASN AAA CA  1 ? 
ATOM   615  C  C   . ASN A 1 74  ? 2.006   13.660 32.970 1.000 37.406  ? 74  ASN AAA C   1 ? 
ATOM   616  O  O   . ASN A 1 74  ? 1.286   12.765 33.317 1.000 37.466  ? 74  ASN AAA O   1 ? 
ATOM   617  C  CB  . ASN A 1 74  ? 3.816   11.860 32.838 1.000 38.542  ? 74  ASN AAA CB  1 ? 
ATOM   618  C  CG  . ASN A 1 74  ? 3.104   10.936 31.865 1.000 43.262  ? 74  ASN AAA CG  1 ? 
ATOM   619  O  OD1 . ASN A 1 74  ? 2.600   11.365 30.837 1.000 41.035  ? 74  ASN AAA OD1 1 ? 
ATOM   620  N  ND2 . ASN A 1 74  ? 3.118   9.641  32.164 1.000 45.722  ? 74  ASN AAA ND2 1 ? 
ATOM   621  N  N   . LEU A 1 75  ? 1.612   14.921 32.817 1.000 46.068  ? 75  LEU AAA N   1 ? 
ATOM   622  C  CA  . LEU A 1 75  ? 0.213   15.347 33.093 1.000 44.976  ? 75  LEU AAA CA  1 ? 
ATOM   623  C  C   . LEU A 1 75  ? -0.789  14.721 32.112 1.000 47.910  ? 75  LEU AAA C   1 ? 
ATOM   624  O  O   . LEU A 1 75  ? -1.974  14.651 32.503 1.000 45.533  ? 75  LEU AAA O   1 ? 
ATOM   625  C  CB  . LEU A 1 75  ? 0.139   16.869 33.097 1.000 51.266  ? 75  LEU AAA CB  1 ? 
ATOM   626  C  CG  . LEU A 1 75  ? 0.909   17.513 34.241 1.000 49.003  ? 75  LEU AAA CG  1 ? 
ATOM   627  C  CD1 . LEU A 1 75  ? 1.064   19.002 34.032 1.000 55.388  ? 75  LEU AAA CD1 1 ? 
ATOM   628  C  CD2 . LEU A 1 75  ? 0.241   17.218 35.573 1.000 53.026  ? 75  LEU AAA CD2 1 ? 
ATOM   629  N  N   . CYS A 1 76  ? -0.408  14.219 30.923 1.000 39.344  ? 76  CYS AAA N   1 ? 
ATOM   630  C  CA  . CYS A 1 76  ? -1.404  13.506 30.067 1.000 38.451  ? 76  CYS AAA CA  1 ? 
ATOM   631  C  C   . CYS A 1 76  ? -1.334  11.999 30.318 1.000 43.581  ? 76  CYS AAA C   1 ? 
ATOM   632  O  O   . CYS A 1 76  ? -2.027  11.279 29.615 1.000 46.274  ? 76  CYS AAA O   1 ? 
ATOM   633  C  CB  . CYS A 1 76  ? -1.291  13.864 28.584 1.000 40.484  ? 76  CYS AAA CB  1 ? 
ATOM   634  S  SG  . CYS A 1 76  ? -1.483  15.647 28.342 1.000 45.424  ? 76  CYS AAA SG  1 ? 
ATOM   635  N  N   A ASN A 1 77  ? -0.499  11.561 31.269 0.500 45.056  ? 77  ASN AAA N   1 ? 
ATOM   636  N  N   B ASN A 1 77  ? -0.551  11.570 31.323 0.500 46.836  ? 77  ASN AAA N   1 ? 
ATOM   637  C  CA  A ASN A 1 77  ? -0.332  10.137 31.670 0.500 45.416  ? 77  ASN AAA CA  1 ? 
ATOM   638  C  CA  B ASN A 1 77  ? -0.281  10.150 31.697 0.500 48.392  ? 77  ASN AAA CA  1 ? 
ATOM   639  C  C   A ASN A 1 77  ? -0.215  9.264  30.418 0.500 46.119  ? 77  ASN AAA C   1 ? 
ATOM   640  C  C   B ASN A 1 77  ? -0.225  9.296  30.422 0.500 47.588  ? 77  ASN AAA C   1 ? 
ATOM   641  O  O   A ASN A 1 77  ? -1.010  8.312  30.280 0.500 45.952  ? 77  ASN AAA O   1 ? 
ATOM   642  O  O   B ASN A 1 77  ? -1.082  8.403  30.268 0.500 47.626  ? 77  ASN AAA O   1 ? 
ATOM   643  C  CB  A ASN A 1 77  ? -1.468  9.680  32.591 0.500 44.285  ? 77  ASN AAA CB  1 ? 
ATOM   644  C  CB  B ASN A 1 77  ? -1.281  9.621  32.740 0.500 49.324  ? 77  ASN AAA CB  1 ? 
ATOM   645  C  CG  A ASN A 1 77  ? -1.471  10.422 33.910 0.500 41.891  ? 77  ASN AAA CG  1 ? 
ATOM   646  C  CG  B ASN A 1 77  ? -0.662  8.661  33.745 0.500 51.329  ? 77  ASN AAA CG  1 ? 
ATOM   647  O  OD1 A ASN A 1 77  ? -0.653  10.147 34.793 0.500 43.438  ? 77  ASN AAA OD1 1 ? 
ATOM   648  O  OD1 B ASN A 1 77  ? 0.541   8.400  33.718 0.500 44.111  ? 77  ASN AAA OD1 1 ? 
ATOM   649  N  ND2 A ASN A 1 77  ? -2.376  11.377 34.036 0.500 40.317  ? 77  ASN AAA ND2 1 ? 
ATOM   650  N  ND2 B ASN A 1 77  ? -1.473  8.129  34.647 0.500 48.161  ? 77  ASN AAA ND2 1 ? 
ATOM   651  N  N   . ILE A 1 78  ? 0.762   9.574  29.555 1.000 45.119  ? 78  ILE AAA N   1 ? 
ATOM   652  C  CA  . ILE A 1 78  ? 1.049   8.817  28.300 1.000 40.756  ? 78  ILE AAA CA  1 ? 
ATOM   653  C  C   . ILE A 1 78  ? 2.551   8.809  28.049 1.000 38.253  ? 78  ILE AAA C   1 ? 
ATOM   654  O  O   . ILE A 1 78  ? 3.236   9.787  28.336 1.000 37.494  ? 78  ILE AAA O   1 ? 
ATOM   655  C  CB  . ILE A 1 78  ? 0.398   9.488  27.075 1.000 40.070  ? 78  ILE AAA CB  1 ? 
ATOM   656  C  CG1 . ILE A 1 78  ? 0.567   11.014 27.128 1.000 40.239  ? 78  ILE AAA CG1 1 ? 
ATOM   657  C  CG2 . ILE A 1 78  ? -1.041  9.057  26.892 1.000 47.260  ? 78  ILE AAA CG2 1 ? 
ATOM   658  C  CD1 . ILE A 1 78  ? 0.451   11.689 25.789 1.000 44.504  ? 78  ILE AAA CD1 1 ? 
ATOM   659  N  N   . PRO A 1 79  ? 3.049   7.801  27.317 1.000 38.053  ? 79  PRO AAA N   1 ? 
ATOM   660  C  CA  . PRO A 1 79  ? 4.381   7.863  26.717 1.000 36.537  ? 79  PRO AAA CA  1 ? 
ATOM   661  C  C   . PRO A 1 79  ? 4.421   8.804  25.500 1.000 33.972  ? 79  PRO AAA C   1 ? 
ATOM   662  O  O   . PRO A 1 79  ? 3.493   8.843  24.701 1.000 35.355  ? 79  PRO AAA O   1 ? 
ATOM   663  C  CB  . PRO A 1 79  ? 4.645   6.424  26.260 1.000 35.717  ? 79  PRO AAA CB  1 ? 
ATOM   664  C  CG  . PRO A 1 79  ? 3.246   5.849  25.977 1.000 37.294  ? 79  PRO AAA CG  1 ? 
ATOM   665  C  CD  . PRO A 1 79  ? 2.306   6.592  26.910 1.000 43.125  ? 79  PRO AAA CD  1 ? 
ATOM   666  N  N   . CYS A 1 80  ? 5.487   9.590  25.381 1.000 33.841  ? 80  CYS AAA N   1 ? 
ATOM   667  C  CA  . CYS A 1 80  ? 5.578   10.640 24.337 1.000 29.667  ? 80  CYS AAA CA  1 ? 
ATOM   668  C  C   . CYS A 1 80  ? 5.443   9.984  22.956 1.000 30.128  ? 80  CYS AAA C   1 ? 
ATOM   669  O  O   . CYS A 1 80  ? 5.002   10.641 22.038 1.000 27.639  ? 80  CYS AAA O   1 ? 
ATOM   670  C  CB  . CYS A 1 80  ? 6.859   11.445 24.489 1.000 29.785  ? 80  CYS AAA CB  1 ? 
ATOM   671  S  SG  . CYS A 1 80  ? 6.967   12.401 26.032 1.000 33.245  ? 80  CYS AAA SG  1 ? 
ATOM   672  N  N   . SER A 1 81  ? 5.791   8.708  22.822 1.000 31.017  ? 81  SER AAA N   1 ? 
ATOM   673  C  CA  . SER A 1 81  ? 5.777   7.937  21.549 1.000 35.106  ? 81  SER AAA CA  1 ? 
ATOM   674  C  C   . SER A 1 81  ? 4.346   7.826  20.998 1.000 39.579  ? 81  SER AAA C   1 ? 
ATOM   675  O  O   . SER A 1 81  ? 4.204   7.808  19.787 1.000 45.686  ? 81  SER AAA O   1 ? 
ATOM   676  C  CB  . SER A 1 81  ? 6.411   6.578  21.742 1.000 37.621  ? 81  SER AAA CB  1 ? 
ATOM   677  O  OG  . SER A 1 81  ? 5.731   5.894  22.775 1.000 41.546  ? 81  SER AAA OG  1 ? 
ATOM   678  N  N   . ALA A 1 82  ? 3.349   7.724  21.871 1.000 36.166  ? 82  ALA AAA N   1 ? 
ATOM   679  C  CA  . ALA A 1 82  ? 1.905   7.731  21.548 1.000 38.663  ? 82  ALA AAA CA  1 ? 
ATOM   680  C  C   . ALA A 1 82  ? 1.550   8.998  20.767 1.000 38.601  ? 82  ALA AAA C   1 ? 
ATOM   681  O  O   . ALA A 1 82  ? 0.652   8.956  19.882 1.000 41.558  ? 82  ALA AAA O   1 ? 
ATOM   682  C  CB  . ALA A 1 82  ? 1.116   7.621  22.828 1.000 40.781  ? 82  ALA AAA CB  1 ? 
ATOM   683  N  N   . LEU A 1 83  ? 2.235   10.108 21.041 1.000 30.567  ? 83  LEU AAA N   1 ? 
ATOM   684  C  CA  . LEU A 1 83  ? 1.989   11.368 20.311 1.000 35.429  ? 83  LEU AAA CA  1 ? 
ATOM   685  C  C   . LEU A 1 83  ? 2.527   11.315 18.877 1.000 30.226  ? 83  LEU AAA C   1 ? 
ATOM   686  O  O   . LEU A 1 83  ? 2.349   12.312 18.178 1.000 34.859  ? 83  LEU AAA O   1 ? 
ATOM   687  C  CB  . LEU A 1 83  ? 2.615   12.526 21.084 1.000 37.038  ? 83  LEU AAA CB  1 ? 
ATOM   688  C  CG  . LEU A 1 83  ? 2.194   12.607 22.543 1.000 44.536  ? 83  LEU AAA CG  1 ? 
ATOM   689  C  CD1 . LEU A 1 83  ? 2.848   13.801 23.220 1.000 44.215  ? 83  LEU AAA CD1 1 ? 
ATOM   690  C  CD2 . LEU A 1 83  ? 0.678   12.656 22.652 1.000 48.264  ? 83  LEU AAA CD2 1 ? 
ATOM   691  N  N   . LEU A 1 84  ? 3.163   10.237 18.429 1.000 32.740  ? 84  LEU AAA N   1 ? 
ATOM   692  C  CA  . LEU A 1 84  ? 3.801   10.162 17.086 1.000 32.390  ? 84  LEU AAA CA  1 ? 
ATOM   693  C  C   . LEU A 1 84  ? 2.996   9.273  16.124 1.000 38.883  ? 84  LEU AAA C   1 ? 
ATOM   694  O  O   . LEU A 1 84  ? 3.387   9.163  14.903 1.000 36.981  ? 84  LEU AAA O   1 ? 
ATOM   695  C  CB  . LEU A 1 84  ? 5.209   9.604  17.255 1.000 35.329  ? 84  LEU AAA CB  1 ? 
ATOM   696  C  CG  . LEU A 1 84  ? 6.115   10.439 18.138 1.000 32.367  ? 84  LEU AAA CG  1 ? 
ATOM   697  C  CD1 . LEU A 1 84  ? 7.521   9.880  18.123 1.000 36.631  ? 84  LEU AAA CD1 1 ? 
ATOM   698  C  CD2 . LEU A 1 84  ? 6.125   11.872 17.651 1.000 34.562  ? 84  LEU AAA CD2 1 ? 
ATOM   699  N  N   . SER A 1 85  ? 1.921   8.683  16.625 1.000 39.348  ? 85  SER AAA N   1 ? 
ATOM   700  C  CA  . SER A 1 85  ? 1.032   7.756  15.877 1.000 40.947  ? 85  SER AAA CA  1 ? 
ATOM   701  C  C   . SER A 1 85  ? 0.358   8.469  14.694 1.000 39.030  ? 85  SER AAA C   1 ? 
ATOM   702  O  O   . SER A 1 85  ? 0.091   9.679  14.793 1.000 41.136  ? 85  SER AAA O   1 ? 
ATOM   703  C  CB  . SER A 1 85  ? 0.017   7.184  16.826 1.000 44.462  ? 85  SER AAA CB  1 ? 
ATOM   704  O  OG  . SER A 1 85  ? -0.862  6.311  16.155 1.000 49.994  ? 85  SER AAA OG  1 ? 
ATOM   705  N  N   . SER A 1 86  ? 0.121   7.752  13.594 1.000 42.377  ? 86  SER AAA N   1 ? 
ATOM   706  C  CA  . SER A 1 86  ? -0.698  8.220  12.434 1.000 43.819  ? 86  SER AAA CA  1 ? 
ATOM   707  C  C   . SER A 1 86  ? -2.137  8.541  12.896 1.000 45.108  ? 86  SER AAA C   1 ? 
ATOM   708  O  O   . SER A 1 86  ? -2.801  9.406  12.261 1.000 51.556  ? 86  SER AAA O   1 ? 
ATOM   709  C  CB  A SER A 1 86  ? -0.701  7.190  11.320 0.500 46.421  ? 86  SER AAA CB  1 ? 
ATOM   710  C  CB  B SER A 1 86  ? -0.636  7.204  11.303 0.500 47.673  ? 86  SER AAA CB  1 ? 
ATOM   711  O  OG  A SER A 1 86  ? -1.251  5.957  11.771 0.500 38.646  ? 86  SER AAA OG  1 ? 
ATOM   712  O  OG  B SER A 1 86  ? 0.720   6.930  10.933 0.500 41.805  ? 86  SER AAA OG  1 ? 
ATOM   713  N  N   . ASP A 1 87  ? -2.584  7.949  14.006 1.000 40.593  ? 87  ASP AAA N   1 ? 
ATOM   714  C  CA  . ASP A 1 87  ? -3.845  8.295  14.722 1.000 45.891  ? 87  ASP AAA CA  1 ? 
ATOM   715  C  C   . ASP A 1 87  ? -3.574  9.445  15.716 1.000 40.883  ? 87  ASP AAA C   1 ? 
ATOM   716  O  O   . ASP A 1 87  ? -2.691  9.287  16.589 1.000 48.566  ? 87  ASP AAA O   1 ? 
ATOM   717  C  CB  . ASP A 1 87  ? -4.392  7.038  15.408 1.000 48.385  ? 87  ASP AAA CB  1 ? 
ATOM   718  C  CG  . ASP A 1 87  ? -5.719  7.194  16.141 1.000 60.225  ? 87  ASP AAA CG  1 ? 
ATOM   719  O  OD1 . ASP A 1 87  ? -6.008  8.309  16.671 1.000 46.029  ? 87  ASP AAA OD1 1 ? 
ATOM   720  O  OD2 . ASP A 1 87  ? -6.455  6.172  16.212 1.000 65.085  ? 87  ASP AAA OD2 1 ? 
ATOM   721  N  N   . ILE A 1 88  ? -4.338  10.540 15.640 1.000 44.763  ? 88  ILE AAA N   1 ? 
ATOM   722  C  CA  . ILE A 1 88  ? -4.026  11.816 16.356 1.000 39.933  ? 88  ILE AAA CA  1 ? 
ATOM   723  C  C   . ILE A 1 88  ? -4.834  11.921 17.652 1.000 41.309  ? 88  ILE AAA C   1 ? 
ATOM   724  O  O   . ILE A 1 88  ? -4.702  12.936 18.340 1.000 41.066  ? 88  ILE AAA O   1 ? 
ATOM   725  C  CB  . ILE A 1 88  ? -4.268  13.051 15.479 1.000 41.370  ? 88  ILE AAA CB  1 ? 
ATOM   726  C  CG1 . ILE A 1 88  ? -5.763  13.339 15.306 1.000 39.086  ? 88  ILE AAA CG1 1 ? 
ATOM   727  C  CG2 . ILE A 1 88  ? -3.556  12.943 14.135 1.000 42.169  ? 88  ILE AAA CG2 1 ? 
ATOM   728  C  CD1 . ILE A 1 88  ? -6.008  14.688 14.698 1.000 37.791  ? 88  ILE AAA CD1 1 ? 
ATOM   729  N  N   . THR A 1 89  ? -5.652  10.924 17.973 1.000 39.863  ? 89  THR AAA N   1 ? 
ATOM   730  C  CA  . THR A 1 89  ? -6.424  10.881 19.247 1.000 43.786  ? 89  THR AAA CA  1 ? 
ATOM   731  C  C   . THR A 1 89  ? -5.552  11.308 20.424 1.000 40.306  ? 89  THR AAA C   1 ? 
ATOM   732  O  O   . THR A 1 89  ? -5.964  12.204 21.188 1.000 39.972  ? 89  THR AAA O   1 ? 
ATOM   733  C  CB  . THR A 1 89  ? -6.943  9.472  19.566 1.000 43.782  ? 89  THR AAA CB  1 ? 
ATOM   734  O  OG1 . THR A 1 89  ? -7.562  9.002  18.370 1.000 44.428  ? 89  THR AAA OG1 1 ? 
ATOM   735  C  CG2 . THR A 1 89  ? -7.908  9.462  20.727 1.000 43.562  ? 89  THR AAA CG2 1 ? 
ATOM   736  N  N   . ALA A 1 90  ? -4.407  10.654 20.626 1.000 38.999  ? 90  ALA AAA N   1 ? 
ATOM   737  C  CA  . ALA A 1 90  ? -3.615  10.868 21.851 1.000 38.529  ? 90  ALA AAA CA  1 ? 
ATOM   738  C  C   . ALA A 1 90  ? -3.171  12.322 21.843 1.000 38.600  ? 90  ALA AAA C   1 ? 
ATOM   739  O  O   . ALA A 1 90  ? -3.257  12.947 22.909 1.000 37.492  ? 90  ALA AAA O   1 ? 
ATOM   740  C  CB  . ALA A 1 90  ? -2.449  9.915  21.968 1.000 45.339  ? 90  ALA AAA CB  1 ? 
ATOM   741  N  N   . SER A 1 91  ? -2.801  12.857 20.675 1.000 33.349  ? 91  SER AAA N   1 ? 
ATOM   742  C  CA  . SER A 1 91  ? -2.289  14.249 20.575 1.000 37.020  ? 91  SER AAA CA  1 ? 
ATOM   743  C  C   . SER A 1 91  ? -3.441  15.208 20.853 1.000 40.104  ? 91  SER AAA C   1 ? 
ATOM   744  O  O   . SER A 1 91  ? -3.214  16.198 21.549 1.000 38.492  ? 91  SER AAA O   1 ? 
ATOM   745  C  CB  . SER A 1 91  ? -1.660  14.535 19.279 1.000 33.846  ? 91  SER AAA CB  1 ? 
ATOM   746  O  OG  . SER A 1 91  ? -0.364  13.977 19.269 1.000 33.934  ? 91  SER AAA OG  1 ? 
ATOM   747  N  N   . VAL A 1 92  ? -4.628  14.922 20.311 1.000 41.698  ? 92  VAL AAA N   1 ? 
ATOM   748  C  CA  . VAL A 1 92  ? -5.820  15.784 20.560 1.000 42.760  ? 92  VAL AAA CA  1 ? 
ATOM   749  C  C   . VAL A 1 92  ? -6.182  15.783 22.047 1.000 38.512  ? 92  VAL AAA C   1 ? 
ATOM   750  O  O   . VAL A 1 92  ? -6.397  16.876 22.603 1.000 39.022  ? 92  VAL AAA O   1 ? 
ATOM   751  C  CB  . VAL A 1 92  ? -7.008  15.390 19.682 1.000 45.147  ? 92  VAL AAA CB  1 ? 
ATOM   752  C  CG1 . VAL A 1 92  ? -8.252  16.132 20.160 1.000 42.742  ? 92  VAL AAA CG1 1 ? 
ATOM   753  C  CG2 . VAL A 1 92  ? -6.689  15.678 18.221 1.000 40.852  ? 92  VAL AAA CG2 1 ? 
ATOM   754  N  N   . ASN A 1 93  ? -6.278  14.607 22.671 1.000 42.890  ? 93  ASN AAA N   1 ? 
ATOM   755  C  CA  . ASN A 1 93  ? -6.689  14.488 24.097 1.000 49.402  ? 93  ASN AAA CA  1 ? 
ATOM   756  C  C   . ASN A 1 93  ? -5.767  15.321 24.994 1.000 47.716  ? 93  ASN AAA C   1 ? 
ATOM   757  O  O   . ASN A 1 93  ? -6.256  15.967 25.945 1.000 42.392  ? 93  ASN AAA O   1 ? 
ATOM   758  C  CB  . ASN A 1 93  ? -6.749  13.025 24.545 1.000 52.426  ? 93  ASN AAA CB  1 ? 
ATOM   759  C  CG  . ASN A 1 93  ? -7.986  12.348 24.011 1.000 59.939  ? 93  ASN AAA CG  1 ? 
ATOM   760  O  OD1 . ASN A 1 93  ? -9.023  13.003 23.891 1.000 53.595  ? 93  ASN AAA OD1 1 ? 
ATOM   761  N  ND2 . ASN A 1 93  ? -7.870  11.075 23.663 1.000 58.958  ? 93  ASN AAA ND2 1 ? 
ATOM   762  N  N   . CYS A 1 94  ? -4.470  15.320 24.704 1.000 42.712  ? 94  CYS AAA N   1 ? 
ATOM   763  C  CA  . CYS A 1 94  ? -3.474  16.018 25.550 1.000 42.918  ? 94  CYS AAA CA  1 ? 
ATOM   764  C  C   . CYS A 1 94  ? -3.549  17.536 25.274 1.000 38.655  ? 94  CYS AAA C   1 ? 
ATOM   765  O  O   . CYS A 1 94  ? -3.482  18.317 26.222 1.000 44.836  ? 94  CYS AAA O   1 ? 
ATOM   766  C  CB  . CYS A 1 94  ? -2.112  15.365 25.335 1.000 44.898  ? 94  CYS AAA CB  1 ? 
ATOM   767  S  SG  . CYS A 1 94  ? -0.828  16.050 26.400 1.000 48.235  ? 94  CYS AAA SG  1 ? 
ATOM   768  N  N   . ALA A 1 95  ? -3.739  17.935 24.021 1.000 35.216  ? 95  ALA AAA N   1 ? 
ATOM   769  C  CA  . ALA A 1 95  ? -3.964  19.340 23.594 1.000 38.277  ? 95  ALA AAA CA  1 ? 
ATOM   770  C  C   . ALA A 1 95  ? -5.142  19.961 24.356 1.000 35.336  ? 95  ALA AAA C   1 ? 
ATOM   771  O  O   . ALA A 1 95  ? -5.061  21.144 24.781 1.000 31.549  ? 95  ALA AAA O   1 ? 
ATOM   772  C  CB  . ALA A 1 95  ? -4.261  19.368 22.126 1.000 36.521  ? 95  ALA AAA CB  1 ? 
ATOM   773  N  N   . LYS A 1 96  ? -6.233  19.213 24.468 1.000 34.398  ? 96  LYS AAA N   1 ? 
ATOM   774  C  CA  . LYS A 1 96  ? -7.410  19.669 25.248 1.000 33.811  ? 96  LYS AAA CA  1 ? 
ATOM   775  C  C   . LYS A 1 96  ? -6.987  19.998 26.679 1.000 39.076  ? 96  LYS AAA C   1 ? 
ATOM   776  O  O   . LYS A 1 96  ? -7.410  21.031 27.180 1.000 41.955  ? 96  LYS AAA O   1 ? 
ATOM   777  C  CB  . LYS A 1 96  ? -8.497  18.603 25.188 1.000 37.525  ? 96  LYS AAA CB  1 ? 
ATOM   778  C  CG  . LYS A 1 96  ? -9.179  18.510 23.828 1.000 37.631  ? 96  LYS AAA CG  1 ? 
ATOM   779  C  CD  . LYS A 1 96  ? -10.070 17.266 23.689 1.000 40.800  ? 96  LYS AAA CD  1 ? 
ATOM   780  C  CE  . LYS A 1 96  ? -11.072 17.386 22.553 1.000 45.277  ? 96  LYS AAA CE  1 ? 
ATOM   781  N  NZ  . LYS A 1 96  ? -11.702 16.078 22.227 1.000 55.102  ? 96  LYS AAA NZ  1 ? 
ATOM   782  N  N   . LYS A 1 97  ? -6.207  19.142 27.332 1.000 43.328  ? 97  LYS AAA N   1 ? 
ATOM   783  C  CA  . LYS A 1 97  ? -5.745  19.417 28.714 1.000 44.805  ? 97  LYS AAA CA  1 ? 
ATOM   784  C  C   . LYS A 1 97  ? -4.829  20.644 28.703 1.000 41.263  ? 97  LYS AAA C   1 ? 
ATOM   785  O  O   . LYS A 1 97  ? -4.924  21.444 29.611 1.000 35.236  ? 97  LYS AAA O   1 ? 
ATOM   786  C  CB  . LYS A 1 97  ? -4.975  18.246 29.325 1.000 51.922  ? 97  LYS AAA CB  1 ? 
ATOM   787  C  CG  . LYS A 1 97  ? -5.820  17.257 30.101 1.000 65.200  ? 97  LYS AAA CG  1 ? 
ATOM   788  C  CD  . LYS A 1 97  ? -5.201  16.859 31.430 1.000 70.218  ? 97  LYS AAA CD  1 ? 
ATOM   789  C  CE  . LYS A 1 97  ? -5.955  15.734 32.106 1.000 71.252  ? 97  LYS AAA CE  1 ? 
ATOM   790  N  NZ  . LYS A 1 97  ? -5.988  14.528 31.240 1.000 67.454  ? 97  LYS AAA NZ  1 ? 
ATOM   791  N  N   . ILE A 1 98  ? -3.931  20.761 27.726 1.000 40.151  ? 98  ILE AAA N   1 ? 
ATOM   792  C  CA  . ILE A 1 98  ? -2.940  21.870 27.713 1.000 38.429  ? 98  ILE AAA CA  1 ? 
ATOM   793  C  C   . ILE A 1 98  ? -3.707  23.191 27.555 1.000 39.475  ? 98  ILE AAA C   1 ? 
ATOM   794  O  O   . ILE A 1 98  ? -3.415  24.118 28.275 1.000 39.066  ? 98  ILE AAA O   1 ? 
ATOM   795  C  CB  . ILE A 1 98  ? -1.911  21.744 26.573 1.000 36.347  ? 98  ILE AAA CB  1 ? 
ATOM   796  C  CG1 . ILE A 1 98  ? -1.091  20.451 26.617 1.000 36.691  ? 98  ILE AAA CG1 1 ? 
ATOM   797  C  CG2 . ILE A 1 98  ? -1.048  23.002 26.557 1.000 42.629  ? 98  ILE AAA CG2 1 ? 
ATOM   798  C  CD1 . ILE A 1 98  ? -0.095  20.314 25.488 1.000 34.085  ? 98  ILE AAA CD1 1 ? 
ATOM   799  N  N   . VAL A 1 99  ? -4.623  23.265 26.588 1.000 38.710  ? 99  VAL AAA N   1 ? 
ATOM   800  C  CA  . VAL A 1 99  ? -5.302  24.533 26.199 1.000 41.495  ? 99  VAL AAA CA  1 ? 
ATOM   801  C  C   . VAL A 1 99  ? -6.339  24.931 27.260 1.000 49.271  ? 99  VAL AAA C   1 ? 
ATOM   802  O  O   . VAL A 1 99  ? -6.819  26.088 27.225 1.000 44.705  ? 99  VAL AAA O   1 ? 
ATOM   803  C  CB  . VAL A 1 99  ? -5.903  24.408 24.790 1.000 39.591  ? 99  VAL AAA CB  1 ? 
ATOM   804  C  CG1 . VAL A 1 99  ? -7.153  23.546 24.799 1.000 38.979  ? 99  VAL AAA CG1 1 ? 
ATOM   805  C  CG2 . VAL A 1 99  ? -6.176  25.763 24.177 1.000 37.057  ? 99  VAL AAA CG2 1 ? 
ATOM   806  N  N   . SER A 1 100 ? -6.648  24.025 28.193 1.000 54.625  ? 100 SER AAA N   1 ? 
ATOM   807  C  CA  . SER A 1 100 ? -7.499  24.273 29.380 1.000 50.114  ? 100 SER AAA CA  1 ? 
ATOM   808  C  C   . SER A 1 100 ? -6.643  24.751 30.555 1.000 54.388  ? 100 SER AAA C   1 ? 
ATOM   809  O  O   . SER A 1 100 ? -7.228  25.245 31.531 1.000 50.553  ? 100 SER AAA O   1 ? 
ATOM   810  C  CB  . SER A 1 100 ? -8.258  23.022 29.739 1.000 53.155  ? 100 SER AAA CB  1 ? 
ATOM   811  O  OG  . SER A 1 100 ? -8.996  22.559 28.627 1.000 45.077  ? 100 SER AAA OG  1 ? 
ATOM   812  N  N   . ASP A 1 101 ? -5.317  24.635 30.444 1.000 62.379  ? 101 ASP AAA N   1 ? 
ATOM   813  C  CA  . ASP A 1 101 ? -4.331  24.774 31.553 1.000 59.245  ? 101 ASP AAA CA  1 ? 
ATOM   814  C  C   . ASP A 1 101 ? -4.259  26.214 32.048 1.000 59.247  ? 101 ASP AAA C   1 ? 
ATOM   815  O  O   . ASP A 1 101 ? -3.647  26.417 33.102 1.000 62.714  ? 101 ASP AAA O   1 ? 
ATOM   816  C  CB  . ASP A 1 101 ? -2.917  24.376 31.117 1.000 67.053  ? 101 ASP AAA CB  1 ? 
ATOM   817  C  CG  . ASP A 1 101 ? -1.914  24.224 32.246 1.000 71.261  ? 101 ASP AAA CG  1 ? 
ATOM   818  O  OD1 . ASP A 1 101 ? -2.309  23.711 33.333 1.000 68.090  ? 101 ASP AAA OD1 1 ? 
ATOM   819  O  OD2 . ASP A 1 101 ? -0.739  24.607 32.028 1.000 72.804  ? 101 ASP AAA OD2 1 ? 
ATOM   820  N  N   . GLY A 1 102 ? -4.795  27.180 31.301 1.000 55.700  ? 102 GLY AAA N   1 ? 
ATOM   821  C  CA  . GLY A 1 102 ? -4.904  28.571 31.777 1.000 53.373  ? 102 GLY AAA CA  1 ? 
ATOM   822  C  C   . GLY A 1 102 ? -4.413  29.568 30.746 1.000 57.310  ? 102 GLY AAA C   1 ? 
ATOM   823  O  O   . GLY A 1 102 ? -5.058  30.624 30.626 1.000 61.760  ? 102 GLY AAA O   1 ? 
ATOM   824  N  N   . ASN A 1 103 ? -3.349  29.240 29.997 1.000 54.532  ? 103 ASN AAA N   1 ? 
ATOM   825  C  CA  . ASN A 1 103 ? -2.699  30.168 29.035 1.000 50.521  ? 103 ASN AAA CA  1 ? 
ATOM   826  C  C   . ASN A 1 103 ? -3.337  30.058 27.647 1.000 45.727  ? 103 ASN AAA C   1 ? 
ATOM   827  O  O   . ASN A 1 103 ? -2.919  30.812 26.754 1.000 46.143  ? 103 ASN AAA O   1 ? 
ATOM   828  C  CB  . ASN A 1 103 ? -1.203  29.893 28.950 1.000 58.856  ? 103 ASN AAA CB  1 ? 
ATOM   829  C  CG  . ASN A 1 103 ? -0.545  30.178 30.279 1.000 70.969  ? 103 ASN AAA CG  1 ? 
ATOM   830  O  OD1 . ASN A 1 103 ? 0.253   31.103 30.389 1.000 74.552  ? 103 ASN AAA OD1 1 ? 
ATOM   831  N  ND2 . ASN A 1 103 ? -0.915  29.416 31.296 1.000 69.100  ? 103 ASN AAA ND2 1 ? 
ATOM   832  N  N   . GLY A 1 104 ? -4.328  29.178 27.484 1.000 41.982  ? 104 GLY AAA N   1 ? 
ATOM   833  C  CA  . GLY A 1 104 ? -4.937  28.840 26.187 1.000 41.121  ? 104 GLY AAA CA  1 ? 
ATOM   834  C  C   . GLY A 1 104 ? -3.878  28.373 25.197 1.000 40.383  ? 104 GLY AAA C   1 ? 
ATOM   835  O  O   . GLY A 1 104 ? -2.931  27.631 25.615 1.000 31.693  ? 104 GLY AAA O   1 ? 
ATOM   836  N  N   . MET A 1 105 ? -4.014  28.779 23.935 1.000 36.010  ? 105 MET AAA N   1 ? 
ATOM   837  C  CA  . MET A 1 105 ? -3.128  28.290 22.842 1.000 36.326  ? 105 MET AAA CA  1 ? 
ATOM   838  C  C   . MET A 1 105 ? -1.774  29.005 22.870 1.000 35.706  ? 105 MET AAA C   1 ? 
ATOM   839  O  O   . MET A 1 105 ? -0.946  28.707 21.975 1.000 40.412  ? 105 MET AAA O   1 ? 
ATOM   840  C  CB  . MET A 1 105 ? -3.781  28.458 21.467 1.000 34.863  ? 105 MET AAA CB  1 ? 
ATOM   841  C  CG  . MET A 1 105 ? -4.979  27.527 21.259 1.000 34.003  ? 105 MET AAA CG  1 ? 
ATOM   842  S  SD  . MET A 1 105 ? -5.325  27.242 19.477 1.000 35.642  ? 105 MET AAA SD  1 ? 
ATOM   843  C  CE  . MET A 1 105 ? -3.817  26.406 18.957 1.000 41.425  ? 105 MET AAA CE  1 ? 
ATOM   844  N  N   . ASN A 1 106 ? -1.534  29.915 23.823 1.000 34.736  ? 106 ASN AAA N   1 ? 
ATOM   845  C  CA  . ASN A 1 106 ? -0.232  30.629 23.949 1.000 36.273  ? 106 ASN AAA CA  1 ? 
ATOM   846  C  C   . ASN A 1 106 ? 0.858   29.664 24.409 1.000 36.227  ? 106 ASN AAA C   1 ? 
ATOM   847  O  O   . ASN A 1 106 ? 1.996   29.995 24.164 1.000 38.221  ? 106 ASN AAA O   1 ? 
ATOM   848  C  CB  . ASN A 1 106 ? -0.254  31.795 24.934 1.000 38.831  ? 106 ASN AAA CB  1 ? 
ATOM   849  C  CG  . ASN A 1 106 ? -1.112  32.939 24.445 1.000 35.804  ? 106 ASN AAA CG  1 ? 
ATOM   850  O  OD1 . ASN A 1 106 ? -0.764  33.612 23.471 1.000 30.455  ? 106 ASN AAA OD1 1 ? 
ATOM   851  N  ND2 . ASN A 1 106 ? -2.230  33.176 25.112 1.000 38.482  ? 106 ASN AAA ND2 1 ? 
ATOM   852  N  N   . ALA A 1 107 ? 0.491   28.529 25.015 1.000 38.409  ? 107 ALA AAA N   1 ? 
ATOM   853  C  CA  . ALA A 1 107 ? 1.377   27.373 25.324 1.000 42.021  ? 107 ALA AAA CA  1 ? 
ATOM   854  C  C   . ALA A 1 107 ? 2.120   26.865 24.072 1.000 39.985  ? 107 ALA AAA C   1 ? 
ATOM   855  O  O   . ALA A 1 107 ? 3.203   26.300 24.260 1.000 44.886  ? 107 ALA AAA O   1 ? 
ATOM   856  C  CB  . ALA A 1 107 ? 0.565   26.265 25.958 1.000 39.927  ? 107 ALA AAA CB  1 ? 
ATOM   857  N  N   . TRP A 1 108 ? 1.557   27.021 22.858 1.000 40.994  ? 108 TRP AAA N   1 ? 
ATOM   858  C  CA  . TRP A 1 108 ? 2.225   26.753 21.549 1.000 36.489  ? 108 TRP AAA CA  1 ? 
ATOM   859  C  C   . TRP A 1 108 ? 2.869   28.062 21.076 1.000 43.353  ? 108 TRP AAA C   1 ? 
ATOM   860  O  O   . TRP A 1 108 ? 2.155   28.935 20.549 1.000 36.716  ? 108 TRP AAA O   1 ? 
ATOM   861  C  CB  . TRP A 1 108 ? 1.232   26.183 20.510 1.000 35.931  ? 108 TRP AAA CB  1 ? 
ATOM   862  C  CG  . TRP A 1 108 ? 0.783   24.793 20.831 1.000 35.907  ? 108 TRP AAA CG  1 ? 
ATOM   863  C  CD1 . TRP A 1 108 ? 1.454   23.633 20.581 1.000 31.964  ? 108 TRP AAA CD1 1 ? 
ATOM   864  C  CD2 . TRP A 1 108 ? -0.402  24.433 21.536 1.000 32.152  ? 108 TRP AAA CD2 1 ? 
ATOM   865  N  NE1 . TRP A 1 108 ? 0.739   22.568 21.049 1.000 32.407  ? 108 TRP AAA NE1 1 ? 
ATOM   866  C  CE2 . TRP A 1 108 ? -0.398  23.036 21.665 1.000 33.010  ? 108 TRP AAA CE2 1 ? 
ATOM   867  C  CE3 . TRP A 1 108 ? -1.421  25.155 22.147 1.000 35.113  ? 108 TRP AAA CE3 1 ? 
ATOM   868  C  CZ2 . TRP A 1 108 ? -1.409  22.343 22.324 1.000 30.752  ? 108 TRP AAA CZ2 1 ? 
ATOM   869  C  CZ3 . TRP A 1 108 ? -2.400  24.466 22.836 1.000 34.969  ? 108 TRP AAA CZ3 1 ? 
ATOM   870  C  CH2 . TRP A 1 108 ? -2.385  23.078 22.942 1.000 30.789  ? 108 TRP AAA CH2 1 ? 
ATOM   871  N  N   . VAL A 1 109 ? 4.174   28.230 21.311 1.000 37.592  ? 109 VAL AAA N   1 ? 
ATOM   872  C  CA  . VAL A 1 109 ? 4.949   29.436 20.902 1.000 39.814  ? 109 VAL AAA CA  1 ? 
ATOM   873  C  C   . VAL A 1 109 ? 4.736   29.749 19.404 1.000 36.924  ? 109 VAL AAA C   1 ? 
ATOM   874  O  O   . VAL A 1 109 ? 4.675   30.929 19.086 1.000 41.664  ? 109 VAL AAA O   1 ? 
ATOM   875  C  CB  A VAL A 1 109 ? 6.429   29.255 21.284 0.520 45.478  ? 109 VAL AAA CB  1 ? 
ATOM   876  C  CB  B VAL A 1 109 ? 6.453   29.261 21.193 0.480 42.492  ? 109 VAL AAA CB  1 ? 
ATOM   877  C  CG1 A VAL A 1 109 ? 7.335   30.303 20.649 0.520 46.668  ? 109 VAL AAA CG1 1 ? 
ATOM   878  C  CG1 B VAL A 1 109 ? 7.012   27.989 20.566 0.480 38.899  ? 109 VAL AAA CG1 1 ? 
ATOM   879  C  CG2 A VAL A 1 109 ? 6.582   29.241 22.804 0.520 44.709  ? 109 VAL AAA CG2 1 ? 
ATOM   880  C  CG2 B VAL A 1 109 ? 7.264   30.471 20.747 0.480 43.892  ? 109 VAL AAA CG2 1 ? 
ATOM   881  N  N   . ALA A 1 110 ? 4.641   28.763 18.515 1.000 38.465  ? 110 ALA AAA N   1 ? 
ATOM   882  C  CA  . ALA A 1 110 ? 4.514   28.990 17.051 1.000 40.777  ? 110 ALA AAA CA  1 ? 
ATOM   883  C  C   . ALA A 1 110 ? 3.115   29.539 16.728 1.000 43.655  ? 110 ALA AAA C   1 ? 
ATOM   884  O  O   . ALA A 1 110 ? 3.015   30.352 15.790 1.000 41.854  ? 110 ALA AAA O   1 ? 
ATOM   885  C  CB  . ALA A 1 110 ? 4.811   27.751 16.254 1.000 43.856  ? 110 ALA AAA CB  1 ? 
ATOM   886  N  N   . TRP A 1 111 ? 2.102   29.137 17.497 1.000 38.306  ? 111 TRP AAA N   1 ? 
ATOM   887  C  CA  . TRP A 1 111 ? 0.740   29.710 17.428 1.000 37.188  ? 111 TRP AAA CA  1 ? 
ATOM   888  C  C   . TRP A 1 111 ? 0.784   31.185 17.846 1.000 34.273  ? 111 TRP AAA C   1 ? 
ATOM   889  O  O   . TRP A 1 111 ? 0.332   32.036 17.060 1.000 33.440  ? 111 TRP AAA O   1 ? 
ATOM   890  C  CB  . TRP A 1 111 ? -0.287  28.916 18.244 1.000 38.189  ? 111 TRP AAA CB  1 ? 
ATOM   891  C  CG  . TRP A 1 111 ? -1.643  29.558 18.161 1.000 33.428  ? 111 TRP AAA CG  1 ? 
ATOM   892  C  CD1 . TRP A 1 111 ? -2.547  29.418 17.151 1.000 33.827  ? 111 TRP AAA CD1 1 ? 
ATOM   893  C  CD2 . TRP A 1 111 ? -2.178  30.568 19.028 1.000 31.992  ? 111 TRP AAA CD2 1 ? 
ATOM   894  N  NE1 . TRP A 1 111 ? -3.647  30.192 17.386 1.000 35.432  ? 111 TRP AAA NE1 1 ? 
ATOM   895  C  CE2 . TRP A 1 111 ? -3.456  30.905 18.533 1.000 32.064  ? 111 TRP AAA CE2 1 ? 
ATOM   896  C  CE3 . TRP A 1 111 ? -1.735  31.168 20.203 1.000 29.540  ? 111 TRP AAA CE3 1 ? 
ATOM   897  C  CZ2 . TRP A 1 111 ? -4.258  31.864 19.145 1.000 33.609  ? 111 TRP AAA CZ2 1 ? 
ATOM   898  C  CZ3 . TRP A 1 111 ? -2.532  32.094 20.813 1.000 29.417  ? 111 TRP AAA CZ3 1 ? 
ATOM   899  C  CH2 . TRP A 1 111 ? -3.779  32.428 20.300 1.000 31.624  ? 111 TRP AAA CH2 1 ? 
ATOM   900  N  N   . ARG A 1 112 ? 1.316   31.480 19.026 1.000 38.241  ? 112 ARG AAA N   1 ? 
ATOM   901  C  CA  . ARG A 1 112 ? 1.459   32.881 19.502 1.000 42.242  ? 112 ARG AAA CA  1 ? 
ATOM   902  C  C   . ARG A 1 112 ? 2.160   33.721 18.419 1.000 42.563  ? 112 ARG AAA C   1 ? 
ATOM   903  O  O   . ARG A 1 112 ? 1.645   34.775 18.071 1.000 37.620  ? 112 ARG AAA O   1 ? 
ATOM   904  C  CB  . ARG A 1 112 ? 2.224   32.958 20.826 1.000 53.413  ? 112 ARG AAA CB  1 ? 
ATOM   905  C  CG  . ARG A 1 112 ? 2.245   34.359 21.427 1.000 62.947  ? 112 ARG AAA CG  1 ? 
ATOM   906  C  CD  . ARG A 1 112 ? 3.159   34.515 22.629 1.000 77.266  ? 112 ARG AAA CD  1 ? 
ATOM   907  N  NE  . ARG A 1 112 ? 3.420   33.255 23.323 1.000 88.308  ? 112 ARG AAA NE  1 ? 
ATOM   908  C  CZ  . ARG A 1 112 ? 4.613   32.663 23.453 1.000 96.532  ? 112 ARG AAA CZ  1 ? 
ATOM   909  N  NH1 . ARG A 1 112 ? 5.706   33.205 22.939 1.000 95.083  ? 112 ARG AAA NH1 1 ? 
ATOM   910  N  NH2 . ARG A 1 112 ? 4.706   31.516 24.111 1.000 93.955  ? 112 ARG AAA NH2 1 ? 
ATOM   911  N  N   . ASN A 1 113 ? 3.282   33.262 17.871 1.000 34.982  ? 113 ASN AAA N   1 ? 
ATOM   912  C  CA  . ASN A 1 113 ? 4.136   34.102 16.992 1.000 35.128  ? 113 ASN AAA CA  1 ? 
ATOM   913  C  C   . ASN A 1 113 ? 3.649   34.049 15.535 1.000 36.200  ? 113 ASN AAA C   1 ? 
ATOM   914  O  O   . ASN A 1 113 ? 3.986   34.979 14.802 1.000 38.838  ? 113 ASN AAA O   1 ? 
ATOM   915  C  CB  . ASN A 1 113 ? 5.609   33.709 17.145 1.000 37.390  ? 113 ASN AAA CB  1 ? 
ATOM   916  C  CG  . ASN A 1 113 ? 6.162   34.031 18.520 1.000 39.815  ? 113 ASN AAA CG  1 ? 
ATOM   917  O  OD1 . ASN A 1 113 ? 5.824   35.058 19.113 1.000 34.838  ? 113 ASN AAA OD1 1 ? 
ATOM   918  N  ND2 . ASN A 1 113 ? 7.071   33.209 19.012 1.000 43.119  ? 113 ASN AAA ND2 1 ? 
ATOM   919  N  N   . ARG A 1 114 ? 2.920   33.016 15.077 1.000 33.648  ? 114 ARG AAA N   1 ? 
ATOM   920  C  CA  . ARG A 1 114 ? 2.646   32.907 13.606 1.000 35.226  ? 114 ARG AAA CA  1 ? 
ATOM   921  C  C   . ARG A 1 114 ? 1.152   32.795 13.250 1.000 36.843  ? 114 ARG AAA C   1 ? 
ATOM   922  O  O   . ARG A 1 114 ? 0.811   32.982 12.056 1.000 35.477  ? 114 ARG AAA O   1 ? 
ATOM   923  C  CB  . ARG A 1 114 ? 3.486   31.745 13.080 1.000 35.721  ? 114 ARG AAA CB  1 ? 
ATOM   924  C  CG  . ARG A 1 114 ? 4.936   31.877 13.515 1.000 42.416  ? 114 ARG AAA CG  1 ? 
ATOM   925  C  CD  . ARG A 1 114 ? 5.852   30.841 12.939 1.000 40.557  ? 114 ARG AAA CD  1 ? 
ATOM   926  N  NE  . ARG A 1 114 ? 5.915   30.834 11.476 1.000 37.783  ? 114 ARG AAA NE  1 ? 
ATOM   927  C  CZ  . ARG A 1 114 ? 6.601   29.941 10.808 1.000 36.839  ? 114 ARG AAA CZ  1 ? 
ATOM   928  N  NH1 . ARG A 1 114 ? 7.221   28.981 11.486 1.000 36.855  ? 114 ARG AAA NH1 1 ? 
ATOM   929  N  NH2 . ARG A 1 114 ? 6.648   29.981 9.488  1.000 33.575  ? 114 ARG AAA NH2 1 ? 
ATOM   930  N  N   . CYS A 1 115 ? 0.272   32.545 14.212 1.000 35.161  ? 115 CYS AAA N   1 ? 
ATOM   931  C  CA  . CYS A 1 115 ? -1.179  32.304 13.942 1.000 41.300  ? 115 CYS AAA CA  1 ? 
ATOM   932  C  C   . CYS A 1 115 ? -2.063  33.316 14.675 1.000 40.333  ? 115 CYS AAA C   1 ? 
ATOM   933  O  O   . CYS A 1 115 ? -3.061  33.734 14.101 1.000 39.486  ? 115 CYS AAA O   1 ? 
ATOM   934  C  CB  . CYS A 1 115 ? -1.600  30.908 14.371 1.000 36.435  ? 115 CYS AAA CB  1 ? 
ATOM   935  S  SG  . CYS A 1 115 ? -0.629  29.601 13.568 1.000 38.048  ? 115 CYS AAA SG  1 ? 
ATOM   936  N  N   . LYS A 1 116 ? -1.773  33.566 15.949 1.000 39.783  ? 116 LYS AAA N   1 ? 
ATOM   937  C  CA  . LYS A 1 116 ? -2.532  34.519 16.795 1.000 38.914  ? 116 LYS AAA CA  1 ? 
ATOM   938  C  C   . LYS A 1 116 ? -2.727  35.834 16.022 1.000 43.734  ? 116 LYS AAA C   1 ? 
ATOM   939  O  O   . LYS A 1 116 ? -1.726  36.324 15.470 1.000 35.091  ? 116 LYS AAA O   1 ? 
ATOM   940  C  CB  . LYS A 1 116 ? -1.792  34.719 18.115 1.000 38.675  ? 116 LYS AAA CB  1 ? 
ATOM   941  C  CG  . LYS A 1 116 ? -2.535  35.464 19.201 1.000 40.558  ? 116 LYS AAA CG  1 ? 
ATOM   942  C  CD  . LYS A 1 116 ? -1.668  35.759 20.378 1.000 41.011  ? 116 LYS AAA CD  1 ? 
ATOM   943  C  CE  . LYS A 1 116 ? -2.421  36.375 21.530 1.000 36.901  ? 116 LYS AAA CE  1 ? 
ATOM   944  N  NZ  . LYS A 1 116 ? -1.595  36.305 22.753 1.000 40.633  ? 116 LYS AAA NZ  1 ? 
ATOM   945  N  N   . GLY A 1 117 ? -3.972  36.318 15.947 1.000 45.394  ? 117 GLY AAA N   1 ? 
ATOM   946  C  CA  . GLY A 1 117 ? -4.377  37.599 15.325 1.000 47.959  ? 117 GLY AAA CA  1 ? 
ATOM   947  C  C   . GLY A 1 117 ? -4.284  37.608 13.802 1.000 48.219  ? 117 GLY AAA C   1 ? 
ATOM   948  O  O   . GLY A 1 117 ? -4.237  38.728 13.229 1.000 52.702  ? 117 GLY AAA O   1 ? 
ATOM   949  N  N   . THR A 1 118 ? -4.230  36.440 13.160 1.000 40.726  ? 118 THR AAA N   1 ? 
ATOM   950  C  CA  . THR A 1 118 ? -4.144  36.280 11.683 1.000 45.017  ? 118 THR AAA CA  1 ? 
ATOM   951  C  C   . THR A 1 118 ? -5.518  35.845 11.159 1.000 44.746  ? 118 THR AAA C   1 ? 
ATOM   952  O  O   . THR A 1 118 ? -6.436  35.509 11.994 1.000 44.199  ? 118 THR AAA O   1 ? 
ATOM   953  C  CB  . THR A 1 118 ? -3.001  35.340 11.231 1.000 47.015  ? 118 THR AAA CB  1 ? 
ATOM   954  O  OG1 . THR A 1 118 ? -3.164  33.941 11.511 1.000 40.097  ? 118 THR AAA OG1 1 ? 
ATOM   955  C  CG2 . THR A 1 118 ? -1.667  35.739 11.823 1.000 48.753  ? 118 THR AAA CG2 1 ? 
ATOM   956  N  N   . ASP A 1 119 ? -5.653  35.819 9.834  1.000 46.533  ? 119 ASP AAA N   1 ? 
ATOM   957  C  CA  . ASP A 1 119 ? -6.848  35.240 9.169  1.000 52.231  ? 119 ASP AAA CA  1 ? 
ATOM   958  C  C   . ASP A 1 119 ? -6.707  33.712 9.188  1.000 47.552  ? 119 ASP AAA C   1 ? 
ATOM   959  O  O   . ASP A 1 119 ? -6.474  33.114 8.121  1.000 47.146  ? 119 ASP AAA O   1 ? 
ATOM   960  C  CB  . ASP A 1 119 ? -7.059  35.793 7.757  1.000 58.273  ? 119 ASP AAA CB  1 ? 
ATOM   961  C  CG  . ASP A 1 119 ? -8.364  35.318 7.121  1.000 65.183  ? 119 ASP AAA CG  1 ? 
ATOM   962  O  OD1 . ASP A 1 119 ? -9.372  35.153 7.865  1.000 54.710  ? 119 ASP AAA OD1 1 ? 
ATOM   963  O  OD2 . ASP A 1 119 ? -8.362  35.093 5.893  1.000 67.854  ? 119 ASP AAA OD2 1 ? 
ATOM   964  N  N   . VAL A 1 120 ? -6.929  33.096 10.350 1.000 46.806  ? 120 VAL AAA N   1 ? 
ATOM   965  C  CA  . VAL A 1 120 ? -6.770  31.623 10.529 1.000 44.443  ? 120 VAL AAA CA  1 ? 
ATOM   966  C  C   . VAL A 1 120 ? -7.846  30.839 9.768  1.000 43.108  ? 120 VAL AAA C   1 ? 
ATOM   967  O  O   . VAL A 1 120 ? -7.545  29.694 9.441  1.000 37.448  ? 120 VAL AAA O   1 ? 
ATOM   968  C  CB  . VAL A 1 120 ? -6.732  31.228 12.010 1.000 42.863  ? 120 VAL AAA CB  1 ? 
ATOM   969  C  CG1 . VAL A 1 120 ? -5.466  31.791 12.644 1.000 36.567  ? 120 VAL AAA CG1 1 ? 
ATOM   970  C  CG2 . VAL A 1 120 ? -7.975  31.651 12.780 1.000 39.655  ? 120 VAL AAA CG2 1 ? 
ATOM   971  N  N   . GLN A 1 121 ? -9.003  31.440 9.444  1.000 42.618  ? 121 GLN AAA N   1 ? 
ATOM   972  C  CA  . GLN A 1 121 ? -10.115 30.814 8.663  1.000 48.970  ? 121 GLN AAA CA  1 ? 
ATOM   973  C  C   . GLN A 1 121 ? -9.527  30.347 7.327  1.000 43.201  ? 121 GLN AAA C   1 ? 
ATOM   974  O  O   . GLN A 1 121 ? -9.996  29.320 6.802  1.000 48.210  ? 121 GLN AAA O   1 ? 
ATOM   975  C  CB  . GLN A 1 121 ? -11.311 31.773 8.454  1.000 58.422  ? 121 GLN AAA CB  1 ? 
ATOM   976  C  CG  . GLN A 1 121 ? -12.032 32.213 9.740  1.000 73.826  ? 121 GLN AAA CG  1 ? 
ATOM   977  C  CD  . GLN A 1 121 ? -13.021 33.364 9.600  1.000 85.063  ? 121 GLN AAA CD  1 ? 
ATOM   978  O  OE1 . GLN A 1 121 ? -13.308 33.847 8.501  1.000 91.060  ? 121 GLN AAA OE1 1 ? 
ATOM   979  N  NE2 . GLN A 1 121 ? -13.567 33.821 10.724 1.000 73.136  ? 121 GLN AAA NE2 1 ? 
ATOM   980  N  N   . ALA A 1 122 ? -8.501  31.041 6.816  1.000 43.563  ? 122 ALA AAA N   1 ? 
ATOM   981  C  CA  . ALA A 1 122 ? -7.850  30.708 5.527  1.000 43.133  ? 122 ALA AAA CA  1 ? 
ATOM   982  C  C   . ALA A 1 122 ? -7.232  29.302 5.604  1.000 47.175  ? 122 ALA AAA C   1 ? 
ATOM   983  O  O   . ALA A 1 122 ? -7.079  28.665 4.551  1.000 44.327  ? 122 ALA AAA O   1 ? 
ATOM   984  C  CB  . ALA A 1 122 ? -6.808  31.738 5.160  1.000 49.135  ? 122 ALA AAA CB  1 ? 
ATOM   985  N  N   . TRP A 1 123 ? -6.873  28.828 6.799  1.000 39.798  ? 123 TRP AAA N   1 ? 
ATOM   986  C  CA  . TRP A 1 123 ? -6.312  27.464 6.965  1.000 44.155  ? 123 TRP AAA CA  1 ? 
ATOM   987  C  C   . TRP A 1 123 ? -7.399  26.420 6.702  1.000 45.094  ? 123 TRP AAA C   1 ? 
ATOM   988  O  O   . TRP A 1 123 ? -7.046  25.275 6.417  1.000 39.719  ? 123 TRP AAA O   1 ? 
ATOM   989  C  CB  . TRP A 1 123 ? -5.633  27.306 8.331  1.000 42.219  ? 123 TRP AAA CB  1 ? 
ATOM   990  C  CG  . TRP A 1 123 ? -4.355  28.091 8.359  1.000 39.137  ? 123 TRP AAA CG  1 ? 
ATOM   991  C  CD1 . TRP A 1 123 ? -4.128  29.320 8.907  1.000 42.647  ? 123 TRP AAA CD1 1 ? 
ATOM   992  C  CD2 . TRP A 1 123 ? -3.131  27.712 7.714  1.000 42.978  ? 123 TRP AAA CD2 1 ? 
ATOM   993  N  NE1 . TRP A 1 123 ? -2.841  29.724 8.656  1.000 44.751  ? 123 TRP AAA NE1 1 ? 
ATOM   994  C  CE2 . TRP A 1 123 ? -2.205  28.751 7.936  1.000 41.184  ? 123 TRP AAA CE2 1 ? 
ATOM   995  C  CE3 . TRP A 1 123 ? -2.719  26.582 6.996  1.000 41.879  ? 123 TRP AAA CE3 1 ? 
ATOM   996  C  CZ2 . TRP A 1 123 ? -0.903  28.688 7.456  1.000 42.023  ? 123 TRP AAA CZ2 1 ? 
ATOM   997  C  CZ3 . TRP A 1 123 ? -1.435  26.536 6.500  1.000 47.735  ? 123 TRP AAA CZ3 1 ? 
ATOM   998  C  CH2 . TRP A 1 123 ? -0.553  27.595 6.705  1.000 43.410  ? 123 TRP AAA CH2 1 ? 
ATOM   999  N  N   . ILE A 1 124 ? -8.684  26.782 6.730  1.000 43.509  ? 124 ILE AAA N   1 ? 
ATOM   1000 C  CA  . ILE A 1 124 ? -9.743  25.754 6.483  1.000 44.151  ? 124 ILE AAA CA  1 ? 
ATOM   1001 C  C   . ILE A 1 124 ? -10.508 26.048 5.185  1.000 48.549  ? 124 ILE AAA C   1 ? 
ATOM   1002 O  O   . ILE A 1 124 ? -11.388 25.235 4.880  1.000 44.112  ? 124 ILE AAA O   1 ? 
ATOM   1003 C  CB  . ILE A 1 124 ? -10.646 25.545 7.723  1.000 46.200  ? 124 ILE AAA CB  1 ? 
ATOM   1004 C  CG1 . ILE A 1 124 ? -11.220 26.852 8.280  1.000 49.808  ? 124 ILE AAA CG1 1 ? 
ATOM   1005 C  CG2 . ILE A 1 124 ? -9.892  24.761 8.799  1.000 48.430  ? 124 ILE AAA CG2 1 ? 
ATOM   1006 C  CD1 . ILE A 1 124 ? -12.405 26.655 9.221  1.000 59.125  ? 124 ILE AAA CD1 1 ? 
ATOM   1007 N  N   . ARG A 1 125 ? -10.145 27.075 4.403  1.000 54.383  ? 125 ARG AAA N   1 ? 
ATOM   1008 C  CA  . ARG A 1 125 ? -10.882 27.389 3.139  1.000 61.898  ? 125 ARG AAA CA  1 ? 
ATOM   1009 C  C   . ARG A 1 125 ? -10.703 26.208 2.166  1.000 54.723  ? 125 ARG AAA C   1 ? 
ATOM   1010 O  O   . ARG A 1 125 ? -9.608  25.668 2.071  1.000 49.998  ? 125 ARG AAA O   1 ? 
ATOM   1011 C  CB  . ARG A 1 125 ? -10.529 28.769 2.555  1.000 74.268  ? 125 ARG AAA CB  1 ? 
ATOM   1012 C  CG  . ARG A 1 125 ? -9.050  29.080 2.357  1.000 87.848  ? 125 ARG AAA CG  1 ? 
ATOM   1013 C  CD  . ARG A 1 125 ? -8.472  28.609 1.029  1.000 103.319 ? 125 ARG AAA CD  1 ? 
ATOM   1014 N  NE  . ARG A 1 125 ? -7.090  29.014 0.719  1.000 115.121 ? 125 ARG AAA NE  1 ? 
ATOM   1015 C  CZ  . ARG A 1 125 ? -5.968  28.467 1.216  1.000 114.689 ? 125 ARG AAA CZ  1 ? 
ATOM   1016 N  NH1 . ARG A 1 125 ? -6.018  27.494 2.111  1.000 115.748 ? 125 ARG AAA NH1 1 ? 
ATOM   1017 N  NH2 . ARG A 1 125 ? -4.786  28.912 0.819  1.000 116.432 ? 125 ARG AAA NH2 1 ? 
ATOM   1018 N  N   . GLY A 1 126 ? -11.781 25.765 1.514  1.000 59.852  ? 126 GLY AAA N   1 ? 
ATOM   1019 C  CA  . GLY A 1 126 ? -11.714 24.759 0.436  1.000 56.270  ? 126 GLY AAA CA  1 ? 
ATOM   1020 C  C   . GLY A 1 126 ? -11.851 23.345 0.967  1.000 57.588  ? 126 GLY AAA C   1 ? 
ATOM   1021 O  O   . GLY A 1 126 ? -11.785 22.397 0.159  1.000 62.647  ? 126 GLY AAA O   1 ? 
ATOM   1022 N  N   . CYS A 1 127 ? -12.012 23.193 2.281  1.000 52.990  ? 127 CYS AAA N   1 ? 
ATOM   1023 C  CA  . CYS A 1 127 ? -12.036 21.876 2.963  1.000 53.996  ? 127 CYS AAA CA  1 ? 
ATOM   1024 C  C   . CYS A 1 127 ? -13.494 21.486 3.202  1.000 52.950  ? 127 CYS AAA C   1 ? 
ATOM   1025 O  O   . CYS A 1 127 ? -14.231 22.310 3.763  1.000 46.520  ? 127 CYS AAA O   1 ? 
ATOM   1026 C  CB  . CYS A 1 127 ? -11.244 21.925 4.270  1.000 57.410  ? 127 CYS AAA CB  1 ? 
ATOM   1027 S  SG  . CYS A 1 127 ? -9.547  22.561 4.076  1.000 56.223  ? 127 CYS AAA SG  1 ? 
ATOM   1028 N  N   . ARG A 1 128 ? -13.883 20.288 2.767  1.000 58.899  ? 128 ARG AAA N   1 ? 
ATOM   1029 C  CA  . ARG A 1 128 ? -15.234 19.718 3.008  1.000 71.677  ? 128 ARG AAA CA  1 ? 
ATOM   1030 C  C   . ARG A 1 128 ? -15.465 19.638 4.516  1.000 84.547  ? 128 ARG AAA C   1 ? 
ATOM   1031 O  O   . ARG A 1 128 ? -15.321 18.534 5.089  1.000 80.989  ? 128 ARG AAA O   1 ? 
ATOM   1032 C  CB  . ARG A 1 128 ? -15.376 18.357 2.333  1.000 67.703  ? 128 ARG AAA CB  1 ? 
ATOM   1033 C  CG  . ARG A 1 128 ? -16.795 17.821 2.357  1.000 66.809  ? 128 ARG AAA CG  1 ? 
ATOM   1034 C  CD  . ARG A 1 128 ? -17.192 17.289 0.999  1.000 70.925  ? 128 ARG AAA CD  1 ? 
ATOM   1035 N  NE  . ARG A 1 128 ? -16.097 16.597 0.328  1.000 72.499  ? 128 ARG AAA NE  1 ? 
ATOM   1036 C  CZ  . ARG A 1 128 ? -15.684 16.827 -0.919 1.000 73.797  ? 128 ARG AAA CZ  1 ? 
ATOM   1037 N  NH1 . ARG A 1 128 ? -16.274 17.744 -1.676 1.000 76.196  ? 128 ARG AAA NH1 1 ? 
ATOM   1038 N  NH2 . ARG A 1 128 ? -14.681 16.118 -1.414 1.000 68.625  ? 128 ARG AAA NH2 1 ? 
ATOM   1039 N  N   . LEU A 1 129 ? -15.797 20.795 5.104  1.000 108.830 ? 129 LEU AAA N   1 ? 
ATOM   1040 C  CA  . LEU A 1 129 ? -15.828 21.068 6.567  1.000 124.149 ? 129 LEU AAA CA  1 ? 
ATOM   1041 C  C   . LEU A 1 129 ? -15.891 22.585 6.821  1.000 147.094 ? 129 LEU AAA C   1 ? 
ATOM   1042 O  O   . LEU A 1 129 ? -16.554 23.346 6.104  1.000 151.981 ? 129 LEU AAA O   1 ? 
ATOM   1043 C  CB  . LEU A 1 129 ? -14.574 20.472 7.209  1.000 115.227 ? 129 LEU AAA CB  1 ? 
ATOM   1044 C  CG  . LEU A 1 129 ? -14.854 19.628 8.441  1.000 111.364 ? 129 LEU AAA CG  1 ? 
ATOM   1045 C  CD1 . LEU A 1 129 ? -15.472 18.288 8.053  1.000 106.069 ? 129 LEU AAA CD1 1 ? 
ATOM   1046 C  CD2 . LEU A 1 129 ? -13.579 19.448 9.241  1.000 116.150 ? 129 LEU AAA CD2 1 ? 
ATOM   1047 O  OXT . LEU A 1 129 ? -15.273 23.109 7.763  1.000 148.335 ? 129 LEU AAA OXT 1 ? 
HETATM 1048 N  N   . NH3 B 2 .   ? -13.548 10.989 18.354 0.500 46.656  ? 201 NH3 AAA N   1 ? 
HETATM 1049 N  N   . NH3 C 2 .   ? -9.036  8.366  11.954 0.700 65.481  ? 202 NH3 AAA N   1 ? 
HETATM 1050 C  C   . ACT D 3 .   ? 2.979   22.773 24.637 1.000 56.986  ? 203 ACT AAA C   1 ? 
HETATM 1051 O  O   . ACT D 3 .   ? 2.560   22.837 23.442 1.000 57.117  ? 203 ACT AAA O   1 ? 
HETATM 1052 O  OXT . ACT D 3 .   ? 2.979   23.730 25.474 1.000 53.356  ? 203 ACT AAA OXT 1 ? 
HETATM 1053 C  CH3 . ACT D 3 .   ? 3.480   21.440 25.115 1.000 43.629  ? 203 ACT AAA CH3 1 ? 
HETATM 1054 CL CL  . CL  E 4 .   ? 11.560  11.650 32.258 1.000 48.054  ? 204 CL  AAA CL  1 ? 
HETATM 1055 PT PT  . PT  F 5 .   ? -9.104  9.879  13.598 0.700 76.586  ? 205 PT  AAA PT  1 ? 
HETATM 1056 PT PT  . PT  G 5 .   ? -11.846 11.740 19.630 0.500 73.556  ? 206 PT  AAA PT  1 ? 
HETATM 1057 PT PT  . PT  H 5 .   ? -0.448  24.077 3.552  0.300 75.793  ? 207 PT  AAA PT  1 ? 
HETATM 1058 I  I   . IOD I 6 .   ? -7.125  10.602 12.748 0.700 105.702 ? 208 IOD AAA I   1 ? 
HETATM 1059 I  I   . IOD J 6 .   ? -9.998  12.642 20.950 0.500 78.117  ? 209 IOD AAA I   1 ? 
HETATM 1060 I  I   . IOD K 6 .   ? 0.351   27.358 2.854  0.300 75.388  ? 210 IOD AAA I   1 ? 
HETATM 1061 I  I   . IOD L 6 .   ? 0.875   23.659 0.934  0.300 77.338  ? 211 IOD AAA I   1 ? 
HETATM 1062 O  O   . HOH M 7 .   ? 7.624   14.142 31.336 1.000 28.891  ? 301 HOH AAA O   1 ? 
HETATM 1063 O  O   . HOH M 7 .   ? -15.044 24.947 5.111  1.000 60.486  ? 302 HOH AAA O   1 ? 
HETATM 1064 O  O   . HOH M 7 .   ? 14.782  7.646  32.992 1.000 38.675  ? 303 HOH AAA O   1 ? 
HETATM 1065 O  O   . HOH M 7 .   ? 1.126   13.412 16.341 1.000 44.929  ? 304 HOH AAA O   1 ? 
HETATM 1066 O  O   . HOH M 7 .   ? 10.037  9.296  33.679 1.000 50.226  ? 305 HOH AAA O   1 ? 
HETATM 1067 O  O   . HOH M 7 .   ? -10.256 33.626 5.179  1.000 56.923  ? 306 HOH AAA O   1 ? 
HETATM 1068 O  O   . HOH M 7 .   ? 1.541   33.549 9.684  1.000 34.051  ? 307 HOH AAA O   1 ? 
HETATM 1069 O  O   . HOH M 7 .   ? -14.841 19.471 16.519 1.000 38.410  ? 308 HOH AAA O   1 ? 
HETATM 1070 O  O   . HOH M 7 .   ? 2.759   13.788 36.014 1.000 47.716  ? 309 HOH AAA O   1 ? 
HETATM 1071 O  O   . HOH M 7 .   ? -3.378  8.351  18.942 1.000 43.012  ? 310 HOH AAA O   1 ? 
HETATM 1072 O  O   . HOH M 7 .   ? 14.246  14.246 18.460 0.500 35.035  ? 311 HOH AAA O   1 ? 
HETATM 1073 O  O   . HOH M 7 .   ? -2.277  26.478 28.050 1.000 45.800  ? 312 HOH AAA O   1 ? 
HETATM 1074 O  O   . HOH M 7 .   ? 13.100  13.100 36.920 0.500 45.342  ? 313 HOH AAA O   1 ? 
HETATM 1075 O  O   . HOH M 7 .   ? 11.132  22.357 20.088 1.000 45.249  ? 314 HOH AAA O   1 ? 
HETATM 1076 O  O   . HOH M 7 .   ? -4.714  8.854  10.260 1.000 48.516  ? 315 HOH AAA O   1 ? 
HETATM 1077 O  O   . HOH M 7 .   ? -2.503  32.448 9.414  1.000 40.369  ? 316 HOH AAA O   1 ? 
HETATM 1078 O  O   . HOH M 7 .   ? -5.937  17.536 2.790  1.000 48.400  ? 317 HOH AAA O   1 ? 
HETATM 1079 O  O   . HOH M 7 .   ? -10.619 30.995 23.226 1.000 38.814  ? 318 HOH AAA O   1 ? 
HETATM 1080 O  O   . HOH M 7 .   ? 11.220  13.167 14.534 1.000 27.495  ? 319 HOH AAA O   1 ? 
HETATM 1081 O  O   . HOH M 7 .   ? 7.706   25.730 15.283 1.000 44.084  ? 320 HOH AAA O   1 ? 
HETATM 1082 O  O   . HOH M 7 .   ? 3.268   7.180  9.784  1.000 42.775  ? 321 HOH AAA O   1 ? 
HETATM 1083 O  O   . HOH M 7 .   ? 5.358   10.926 9.056  1.000 36.775  ? 322 HOH AAA O   1 ? 
HETATM 1084 O  O   . HOH M 7 .   ? -0.661  11.956 16.067 1.000 44.124  ? 323 HOH AAA O   1 ? 
HETATM 1085 O  O   . HOH M 7 .   ? -1.052  6.857  20.275 1.000 41.183  ? 324 HOH AAA O   1 ? 
HETATM 1086 O  O   . HOH M 7 .   ? -14.612 31.768 20.191 1.000 35.964  ? 325 HOH AAA O   1 ? 
HETATM 1087 O  O   . HOH M 7 .   ? -7.355  35.364 14.580 1.000 37.076  ? 326 HOH AAA O   1 ? 
HETATM 1088 O  O   . HOH M 7 .   ? 7.709   24.288 19.302 1.000 39.732  ? 327 HOH AAA O   1 ? 
HETATM 1089 O  O   . HOH M 7 .   ? 13.817  14.685 26.250 1.000 31.281  ? 328 HOH AAA O   1 ? 
HETATM 1090 O  O   . HOH M 7 .   ? 3.891   5.884  17.833 1.000 43.279  ? 329 HOH AAA O   1 ? 
HETATM 1091 O  O   . HOH M 7 .   ? 1.479   16.425 19.304 1.000 37.277  ? 330 HOH AAA O   1 ? 
HETATM 1092 O  O   . HOH M 7 .   ? 7.651   27.816 8.095  1.000 35.002  ? 331 HOH AAA O   1 ? 
HETATM 1093 O  O   . HOH M 7 .   ? -15.643 9.383  15.819 1.000 50.756  ? 332 HOH AAA O   1 ? 
HETATM 1094 O  O   . HOH M 7 .   ? 14.422  24.562 26.387 1.000 45.300  ? 333 HOH AAA O   1 ? 
HETATM 1095 O  O   . HOH M 7 .   ? 10.968  22.948 28.199 1.000 43.167  ? 334 HOH AAA O   1 ? 
HETATM 1096 O  O   . HOH M 7 .   ? -6.434  28.090 29.161 1.000 44.746  ? 335 HOH AAA O   1 ? 
HETATM 1097 O  O   . HOH M 7 .   ? 3.025   19.428 5.129  1.000 45.498  ? 336 HOH AAA O   1 ? 
HETATM 1098 O  O   . HOH M 7 .   ? 14.898  25.073 22.855 1.000 50.287  ? 337 HOH AAA O   1 ? 
HETATM 1099 O  O   . HOH M 7 .   ? -3.389  38.260 23.795 1.000 43.350  ? 338 HOH AAA O   1 ? 
HETATM 1100 O  O   . HOH M 7 .   ? 10.343  5.876  30.728 1.000 33.610  ? 339 HOH AAA O   1 ? 
HETATM 1101 O  O   . HOH M 7 .   ? 9.091   22.409 18.293 1.000 28.373  ? 340 HOH AAA O   1 ? 
HETATM 1102 O  O   . HOH M 7 .   ? 5.236   9.063  34.066 1.000 40.682  ? 341 HOH AAA O   1 ? 
HETATM 1103 O  O   . HOH M 7 .   ? -1.272  11.142 18.894 1.000 34.877  ? 342 HOH AAA O   1 ? 
HETATM 1104 O  O   . HOH M 7 .   ? -8.235  31.544 25.917 1.000 23.552  ? 343 HOH AAA O   1 ? 
HETATM 1105 O  O   . HOH M 7 .   ? -11.223 29.228 11.563 1.000 30.364  ? 344 HOH AAA O   1 ? 
HETATM 1106 O  O   . HOH M 7 .   ? 17.276  15.971 29.470 1.000 53.218  ? 345 HOH AAA O   1 ? 
HETATM 1107 O  O   . HOH M 7 .   ? 9.553   12.789 30.373 1.000 28.289  ? 346 HOH AAA O   1 ? 
HETATM 1108 O  O   . HOH M 7 .   ? 2.347   24.214 28.325 1.000 52.426  ? 347 HOH AAA O   1 ? 
HETATM 1109 O  O   . HOH M 7 .   ? -11.786 18.410 1.774  1.000 50.341  ? 348 HOH AAA O   1 ? 
HETATM 1110 O  O   . HOH M 7 .   ? 7.542   12.124 32.546 1.000 35.175  ? 349 HOH AAA O   1 ? 
HETATM 1111 O  O   . HOH M 7 .   ? 4.404   32.837 9.815  1.000 34.676  ? 350 HOH AAA O   1 ? 
HETATM 1112 O  O   . HOH M 7 .   ? -0.923  24.745 35.812 1.000 61.182  ? 351 HOH AAA O   1 ? 
HETATM 1113 O  O   . HOH M 7 .   ? 17.140  8.026  29.446 1.000 36.784  ? 352 HOH AAA O   1 ? 
HETATM 1114 O  O   . HOH M 7 .   ? 5.643   5.905  29.553 1.000 42.243  ? 353 HOH AAA O   1 ? 
HETATM 1115 O  O   . HOH M 7 .   ? 18.623  9.658  24.575 1.000 38.142  ? 354 HOH AAA O   1 ? 
HETATM 1116 O  O   . HOH M 7 .   ? 2.447   10.095 5.084  1.000 41.818  ? 355 HOH AAA O   1 ? 
HETATM 1117 O  O   . HOH M 7 .   ? -9.668  33.160 15.409 1.000 51.156  ? 356 HOH AAA O   1 ? 
HETATM 1118 O  O   . HOH M 7 .   ? -13.160 11.834 21.456 0.500 57.667  ? 357 HOH AAA O   1 ? 
HETATM 1119 O  O   . HOH M 7 .   ? 1.678   29.369 27.930 1.000 51.632  ? 358 HOH AAA O   1 ? 
HETATM 1120 O  O   . HOH M 7 .   ? 5.389   17.600 41.237 1.000 47.302  ? 359 HOH AAA O   1 ? 
HETATM 1121 O  O   . HOH M 7 .   ? -1.838  22.300 36.320 1.000 50.852  ? 360 HOH AAA O   1 ? 
HETATM 1122 O  O   . HOH M 7 .   ? 2.042   4.655  16.572 1.000 45.852  ? 361 HOH AAA O   1 ? 
HETATM 1123 O  O   . HOH M 7 .   ? 2.952   6.661  30.488 1.000 44.770  ? 362 HOH AAA O   1 ? 
HETATM 1124 O  O   . HOH M 7 .   ? -3.468  39.025 17.956 1.000 42.873  ? 363 HOH AAA O   1 ? 
HETATM 1125 O  O   . HOH M 7 .   ? 9.351   23.447 15.348 1.000 53.532  ? 364 HOH AAA O   1 ? 
HETATM 1126 O  O   . HOH M 7 .   ? -11.985 30.370 27.521 1.000 57.240  ? 365 HOH AAA O   1 ? 
HETATM 1127 O  O   . HOH M 7 .   ? 14.178  11.478 33.981 1.000 46.939  ? 366 HOH AAA O   1 ? 
HETATM 1128 O  O   . HOH M 7 .   ? -3.347  29.180 4.833  1.000 41.802  ? 367 HOH AAA O   1 ? 
HETATM 1129 O  O   . HOH M 7 .   ? -11.808 12.173 10.316 1.000 44.524  ? 368 HOH AAA O   1 ? 
HETATM 1130 O  O   . HOH M 7 .   ? -19.717 17.970 1.635  1.000 47.555  ? 369 HOH AAA O   1 ? 
HETATM 1131 O  O   . HOH M 7 .   ? 2.835   28.424 5.284  1.000 48.687  ? 370 HOH AAA O   1 ? 
HETATM 1132 O  O   . HOH M 7 .   ? 0.005   8.652  39.318 1.000 58.854  ? 371 HOH AAA O   1 ? 
HETATM 1133 O  O   . HOH M 7 .   ? 1.444   6.792  3.274  1.000 48.046  ? 372 HOH AAA O   1 ? 
# 
