data_8Y1S
# 
_entry.id   8Y1S 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.399 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   8Y1S         pdb_00008y1s 10.2210/pdb8y1s/pdb 
WWPDB D_1300044687 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2024-12-04 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        8Y1S 
_pdbx_database_status.recvd_initial_deposition_date   2024-01-25 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBJ 
_pdbx_database_status.process_site                    PDBJ 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              wangzj@sari.ac.cn 
_pdbx_contact_author.name_first         Zhijun 
_pdbx_contact_author.name_last          Wang 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0009-0003-0835-8736 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Wang, Z.J.'  1  0009-0003-0835-8736 
'Wang, S.S.'  2  ?                   
'Pan, Q.Y.'   3  ?                   
'Yu, L.'      4  ?                   
'Su, Z.H.'    5  ?                   
'Yang, T.Y.'  6  ?                   
'Wang, Y.Z.'  7  ?                   
'Zhang, W.Z.' 8  ?                   
'Hao, Q.'     9  ?                   
'Gao, X.Y.'   10 ?                   
# 
_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                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     'BL03HB: Laue crystallography beamline at SSRF' 
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Wang, Z.J.'  1  ? 
primary 'Wang, S.S.'  2  ? 
primary 'Pan, Q.Y.'   3  ? 
primary 'Yu, L.'      4  ? 
primary 'Su, Z.H.'    5  ? 
primary 'Yang, T.Y.'  6  ? 
primary 'Wang, Y.Z.'  7  ? 
primary 'Zhang, W.Z.' 8  ? 
primary 'Wang, Q.S.'  9  ? 
primary 'Hao, Q.'     10 ? 
primary 'Gao, X.Y.'   11 ? 
# 
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 water   nat water        18.015    90 ?        ? ? ? 
# 
_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                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
_pdbx_entity_nonpoly.entity_id   2 
_pdbx_entity_nonpoly.name        water 
_pdbx_entity_nonpoly.comp_id     HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   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 
ALA 'L-peptide linking' y ALANINE         ? 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE        ? 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE      ? 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE        ? 'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE       ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE         ? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE       ? 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER           ? 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE      ? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE         ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE          ? 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE      ? 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE   ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE         ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE          ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE       ? 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN      ? 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE        ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE          ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   LYS 1   1   1   LYS LYS A . n 
A 1 2   VAL 2   2   2   VAL VAL A . n 
A 1 3   PHE 3   3   3   PHE PHE A . n 
A 1 4   GLY 4   4   4   GLY GLY A . n 
A 1 5   ARG 5   5   5   ARG ARG A . n 
A 1 6   CYS 6   6   6   CYS CYS A . n 
A 1 7   GLU 7   7   7   GLU GLU A . n 
A 1 8   LEU 8   8   8   LEU LEU A . n 
A 1 9   ALA 9   9   9   ALA ALA A . n 
A 1 10  ALA 10  10  10  ALA ALA A . n 
A 1 11  ALA 11  11  11  ALA ALA A . n 
A 1 12  MET 12  12  12  MET MET A . n 
A 1 13  LYS 13  13  13  LYS LYS A . n 
A 1 14  ARG 14  14  14  ARG ARG A . n 
A 1 15  HIS 15  15  15  HIS HIS A . n 
A 1 16  GLY 16  16  16  GLY GLY A . n 
A 1 17  LEU 17  17  17  LEU LEU A . n 
A 1 18  ASP 18  18  18  ASP ASP A . n 
A 1 19  ASN 19  19  19  ASN ASN A . n 
A 1 20  TYR 20  20  20  TYR TYR A . n 
A 1 21  ARG 21  21  21  ARG ARG A . n 
A 1 22  GLY 22  22  22  GLY GLY A . n 
A 1 23  TYR 23  23  23  TYR TYR A . n 
A 1 24  SER 24  24  24  SER SER A . n 
A 1 25  LEU 25  25  25  LEU LEU A . n 
A 1 26  GLY 26  26  26  GLY GLY A . n 
A 1 27  ASN 27  27  27  ASN ASN A . n 
A 1 28  TRP 28  28  28  TRP TRP A . n 
A 1 29  VAL 29  29  29  VAL VAL A . n 
A 1 30  CYS 30  30  30  CYS CYS A . n 
A 1 31  ALA 31  31  31  ALA ALA A . n 
A 1 32  ALA 32  32  32  ALA ALA A . n 
A 1 33  LYS 33  33  33  LYS LYS A . n 
A 1 34  PHE 34  34  34  PHE PHE A . n 
A 1 35  GLU 35  35  35  GLU GLU A . n 
A 1 36  SER 36  36  36  SER SER A . n 
A 1 37  ASN 37  37  37  ASN ASN A . n 
A 1 38  PHE 38  38  38  PHE PHE A . n 
A 1 39  ASN 39  39  39  ASN ASN A . n 
A 1 40  THR 40  40  40  THR THR A . n 
A 1 41  GLN 41  41  41  GLN GLN A . n 
A 1 42  ALA 42  42  42  ALA ALA A . n 
A 1 43  THR 43  43  43  THR THR A . n 
A 1 44  ASN 44  44  44  ASN ASN A . n 
A 1 45  ARG 45  45  45  ARG ARG A . n 
A 1 46  ASN 46  46  46  ASN ASN A . n 
A 1 47  THR 47  47  47  THR THR A . n 
A 1 48  ASP 48  48  48  ASP ASP A . n 
A 1 49  GLY 49  49  49  GLY GLY A . n 
A 1 50  SER 50  50  50  SER SER A . n 
A 1 51  THR 51  51  51  THR THR A . n 
A 1 52  ASP 52  52  52  ASP ASP A . n 
A 1 53  TYR 53  53  53  TYR TYR A . n 
A 1 54  GLY 54  54  54  GLY GLY A . n 
A 1 55  ILE 55  55  55  ILE ILE A . n 
A 1 56  LEU 56  56  56  LEU LEU A . n 
A 1 57  GLN 57  57  57  GLN GLN A . n 
A 1 58  ILE 58  58  58  ILE ILE A . n 
A 1 59  ASN 59  59  59  ASN ASN A . n 
A 1 60  SER 60  60  60  SER SER A . n 
A 1 61  ARG 61  61  61  ARG ARG A . n 
A 1 62  TRP 62  62  62  TRP TRP A . n 
A 1 63  TRP 63  63  63  TRP TRP A . n 
A 1 64  CYS 64  64  64  CYS CYS A . n 
A 1 65  ASN 65  65  65  ASN ASN A . n 
A 1 66  ASP 66  66  66  ASP ASP A . n 
A 1 67  GLY 67  67  67  GLY GLY A . n 
A 1 68  ARG 68  68  68  ARG ARG A . n 
A 1 69  THR 69  69  69  THR THR A . n 
A 1 70  PRO 70  70  70  PRO PRO A . n 
A 1 71  GLY 71  71  71  GLY GLY A . n 
A 1 72  SER 72  72  72  SER SER A . n 
A 1 73  ARG 73  73  73  ARG ARG A . n 
A 1 74  ASN 74  74  74  ASN ASN A . n 
A 1 75  LEU 75  75  75  LEU LEU A . n 
A 1 76  CYS 76  76  76  CYS CYS A . n 
A 1 77  ASN 77  77  77  ASN ASN A . n 
A 1 78  ILE 78  78  78  ILE ILE A . n 
A 1 79  PRO 79  79  79  PRO PRO A . n 
A 1 80  CYS 80  80  80  CYS CYS A . n 
A 1 81  SER 81  81  81  SER SER A . n 
A 1 82  ALA 82  82  82  ALA ALA A . n 
A 1 83  LEU 83  83  83  LEU LEU A . n 
A 1 84  LEU 84  84  84  LEU LEU A . n 
A 1 85  SER 85  85  85  SER SER A . n 
A 1 86  SER 86  86  86  SER SER A . n 
A 1 87  ASP 87  87  87  ASP ASP A . n 
A 1 88  ILE 88  88  88  ILE ILE A . n 
A 1 89  THR 89  89  89  THR THR A . n 
A 1 90  ALA 90  90  90  ALA ALA A . n 
A 1 91  SER 91  91  91  SER SER A . n 
A 1 92  VAL 92  92  92  VAL VAL A . n 
A 1 93  ASN 93  93  93  ASN ASN A . n 
A 1 94  CYS 94  94  94  CYS CYS A . n 
A 1 95  ALA 95  95  95  ALA ALA A . n 
A 1 96  LYS 96  96  96  LYS LYS A . n 
A 1 97  LYS 97  97  97  LYS LYS A . n 
A 1 98  ILE 98  98  98  ILE ILE A . n 
A 1 99  VAL 99  99  99  VAL VAL A . n 
A 1 100 SER 100 100 100 SER SER A . n 
A 1 101 ASP 101 101 101 ASP ASP A . n 
A 1 102 GLY 102 102 102 GLY GLY A . n 
A 1 103 ASN 103 103 103 ASN ASN A . n 
A 1 104 GLY 104 104 104 GLY GLY A . n 
A 1 105 MET 105 105 105 MET MET A . n 
A 1 106 ASN 106 106 106 ASN ASN A . n 
A 1 107 ALA 107 107 107 ALA ALA A . n 
A 1 108 TRP 108 108 108 TRP TRP A . n 
A 1 109 VAL 109 109 109 VAL VAL A . n 
A 1 110 ALA 110 110 110 ALA ALA A . n 
A 1 111 TRP 111 111 111 TRP TRP A . n 
A 1 112 ARG 112 112 112 ARG ARG A . n 
A 1 113 ASN 113 113 113 ASN ASN A . n 
A 1 114 ARG 114 114 114 ARG ARG A . n 
A 1 115 CYS 115 115 115 CYS CYS A . n 
A 1 116 LYS 116 116 116 LYS LYS A . n 
A 1 117 GLY 117 117 117 GLY GLY A . n 
A 1 118 THR 118 118 118 THR THR A . n 
A 1 119 ASP 119 119 119 ASP ASP A . n 
A 1 120 VAL 120 120 120 VAL VAL A . n 
A 1 121 GLN 121 121 121 GLN GLN A . n 
A 1 122 ALA 122 122 122 ALA ALA A . n 
A 1 123 TRP 123 123 123 TRP TRP A . n 
A 1 124 ILE 124 124 124 ILE ILE A . n 
A 1 125 ARG 125 125 125 ARG ARG A . n 
A 1 126 GLY 126 126 126 GLY GLY A . n 
A 1 127 CYS 127 127 127 CYS CYS A . n 
A 1 128 ARG 128 128 128 ARG ARG A . n 
A 1 129 LEU 129 129 129 LEU LEU A . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 HOH 1  201 30 HOH HOH A . 
B 2 HOH 2  202 81 HOH HOH A . 
B 2 HOH 3  203 73 HOH HOH A . 
B 2 HOH 4  204 59 HOH HOH A . 
B 2 HOH 5  205 42 HOH HOH A . 
B 2 HOH 6  206 79 HOH HOH A . 
B 2 HOH 7  207 12 HOH HOH A . 
B 2 HOH 8  208 60 HOH HOH A . 
B 2 HOH 9  209 77 HOH HOH A . 
B 2 HOH 10 210 52 HOH HOH A . 
B 2 HOH 11 211 47 HOH HOH A . 
B 2 HOH 12 212 36 HOH HOH A . 
B 2 HOH 13 213 23 HOH HOH A . 
B 2 HOH 14 214 49 HOH HOH A . 
B 2 HOH 15 215 24 HOH HOH A . 
B 2 HOH 16 216 64 HOH HOH A . 
B 2 HOH 17 217 51 HOH HOH A . 
B 2 HOH 18 218 50 HOH HOH A . 
B 2 HOH 19 219 62 HOH HOH A . 
B 2 HOH 20 220 63 HOH HOH A . 
B 2 HOH 21 221 38 HOH HOH A . 
B 2 HOH 22 222 34 HOH HOH A . 
B 2 HOH 23 223 71 HOH HOH A . 
B 2 HOH 24 224 82 HOH HOH A . 
B 2 HOH 25 225 26 HOH HOH A . 
B 2 HOH 26 226 66 HOH HOH A . 
B 2 HOH 27 227 6  HOH HOH A . 
B 2 HOH 28 228 54 HOH HOH A . 
B 2 HOH 29 229 41 HOH HOH A . 
B 2 HOH 30 230 67 HOH HOH A . 
B 2 HOH 31 231 53 HOH HOH A . 
B 2 HOH 32 232 4  HOH HOH A . 
B 2 HOH 33 233 27 HOH HOH A . 
B 2 HOH 34 234 3  HOH HOH A . 
B 2 HOH 35 235 22 HOH HOH A . 
B 2 HOH 36 236 21 HOH HOH A . 
B 2 HOH 37 237 2  HOH HOH A . 
B 2 HOH 38 238 10 HOH HOH A . 
B 2 HOH 39 239 28 HOH HOH A . 
B 2 HOH 40 240 13 HOH HOH A . 
B 2 HOH 41 241 14 HOH HOH A . 
B 2 HOH 42 242 45 HOH HOH A . 
B 2 HOH 43 243 5  HOH HOH A . 
B 2 HOH 44 244 9  HOH HOH A . 
B 2 HOH 45 245 16 HOH HOH A . 
B 2 HOH 46 246 1  HOH HOH A . 
B 2 HOH 47 247 32 HOH HOH A . 
B 2 HOH 48 248 20 HOH HOH A . 
B 2 HOH 49 249 11 HOH HOH A . 
B 2 HOH 50 250 7  HOH HOH A . 
B 2 HOH 51 251 25 HOH HOH A . 
B 2 HOH 52 252 48 HOH HOH A . 
B 2 HOH 53 253 15 HOH HOH A . 
B 2 HOH 54 254 18 HOH HOH A . 
B 2 HOH 55 255 68 HOH HOH A . 
B 2 HOH 56 256 35 HOH HOH A . 
B 2 HOH 57 257 40 HOH HOH A . 
B 2 HOH 58 258 43 HOH HOH A . 
B 2 HOH 59 259 89 HOH HOH A . 
B 2 HOH 60 260 29 HOH HOH A . 
B 2 HOH 61 261 44 HOH HOH A . 
B 2 HOH 62 262 46 HOH HOH A . 
B 2 HOH 63 263 69 HOH HOH A . 
B 2 HOH 64 264 33 HOH HOH A . 
B 2 HOH 65 265 72 HOH HOH A . 
B 2 HOH 66 266 78 HOH HOH A . 
B 2 HOH 67 267 58 HOH HOH A . 
B 2 HOH 68 268 37 HOH HOH A . 
B 2 HOH 69 269 65 HOH HOH A . 
B 2 HOH 70 270 56 HOH HOH A . 
B 2 HOH 71 271 8  HOH HOH A . 
B 2 HOH 72 272 87 HOH HOH A . 
B 2 HOH 73 273 80 HOH HOH A . 
B 2 HOH 74 274 61 HOH HOH A . 
B 2 HOH 75 275 19 HOH HOH A . 
B 2 HOH 76 276 55 HOH HOH A . 
B 2 HOH 77 277 75 HOH HOH A . 
B 2 HOH 78 278 57 HOH HOH A . 
B 2 HOH 79 279 39 HOH HOH A . 
B 2 HOH 80 280 83 HOH HOH A . 
B 2 HOH 81 281 86 HOH HOH A . 
B 2 HOH 82 282 76 HOH HOH A . 
B 2 HOH 83 283 88 HOH HOH A . 
B 2 HOH 84 284 84 HOH HOH A . 
B 2 HOH 85 285 85 HOH HOH A . 
B 2 HOH 86 286 17 HOH HOH A . 
B 2 HOH 87 287 31 HOH HOH A . 
B 2 HOH 88 288 70 HOH HOH A . 
B 2 HOH 89 289 74 HOH HOH A . 
B 2 HOH 90 290 90 HOH HOH A . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX   ? ? ? 1.20.1_4487 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? LaueView ? ? ? Laugen      2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? LaueView ? ? ? Laugen      3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHENIX   ? ? ? .           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                     8Y1S 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     78.560 
_cell.length_a_esd                 ? 
_cell.length_b                     78.560 
_cell.length_b_esd                 ? 
_cell.length_c                     37.560 
_cell.length_c_esd                 ? 
_cell.volume                       231808.060 
_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                         8Y1S 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                96 
_symmetry.space_group_name_Hall            'P 4nw 2abw' 
_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                   8Y1S 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.02 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          39.17 
_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          EVAPORATION 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    'Crystals were grown from NaCl as a crystallizing agent at pH 4.3' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            290 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     293 
_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 2M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2024-01-19 
_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   L 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             LAUE 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
loop_
_diffrn_radiation_wavelength.id 
_diffrn_radiation_wavelength.wavelength 
_diffrn_radiation_wavelength.wt 
1 0.6  1.0 
2 1.58 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                        'SSRF BEAMLINE BL03HB' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.6-1.58 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   BL03HB 
_diffrn_source.pdbx_synchrotron_site       SSRF 
# 
_reflns.B_iso_Wilson_estimate                          5.16 
_reflns.entry_id                                       8Y1S 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.51143 
_reflns.d_resolution_low                               34.1385 
_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                                     15481 
_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                           79.72 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                1 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          7 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.91 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.52 
_reflns_shell.d_res_low                                     1.8168 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             5521 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.89 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          68.4 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               10.56 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 8Y1S 
_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                            1.52 
_refine.ls_d_res_low                             33.89 
_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                     15442 
_refine.ls_number_reflns_R_free                  1545 
_refine.ls_number_reflns_R_work                  13897 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    79.69 
_refine.ls_percent_reflns_R_free                 10.01 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2748 
_refine.ls_R_factor_R_free                       ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2696 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.33 
_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                      2EPE 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_refine.pdbx_R_Free_selection_details            0.25 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.1000 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            0.2877 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.52 
_refine_hist.d_res_low                        33.89 
_refine_hist.number_atoms_solvent             90 
_refine_hist.number_atoms_total               1091 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        1001 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         0 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.0089  ? 1021 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.2561  ? 1381 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0559  ? 144  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0088  ? 181  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 15.9803 ? 365  ? f_dihedral_angle_d ? ? 
# 
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' 1.53 1.55  . . 108 970  62.82 . . . . .      . . . . . . . . . . . 0.4443 
'X-RAY DIFFRACTION' 1.55 1.60  . . 116 1048 67.17 . . . . 0.40   . . . . . . . . . . . 0.4177 
'X-RAY DIFFRACTION' 1.60 1.67  . . 118 1060 68.73 . . . . 0.3616 . . . . . . . . . . . 0.4322 
'X-RAY DIFFRACTION' 1.67 1.74  . . 122 1104 70.34 . . . . 0.3184 . . . . . . . . . . . 0.3776 
'X-RAY DIFFRACTION' 1.74 1.84  . . 132 1183 76.06 . . . . 0.2725 . . . . . . . . . . . 0.3282 
'X-RAY DIFFRACTION' 1.84 1.95  . . 143 1290 81.89 . . . . 0.2464 . . . . . . . . . . . 0.3006 
'X-RAY DIFFRACTION' 1.95 2.10  . . 152 1362 86.91 . . . . 0.2325 . . . . . . . . . . . 0.2985 
'X-RAY DIFFRACTION' 2.10 2.31  . . 157 1412 89.00 . . . . 0.2361 . . . . . . . . . . . 0.2760 
'X-RAY DIFFRACTION' 2.31 2.65  . . 159 1432 89.48 . . . . 0.2503 . . . . . . . . . . . 0.3161 
'X-RAY DIFFRACTION' 2.65 3.33  . . 164 1476 91.72 . . . . 0.2610 . . . . . . . . . . . 0.3438 
'X-RAY DIFFRACTION' 3.34 33.89 . . 174 1560 90.36 . . . . 0.2096 . . . . . . . . . . . 0.2539 
# 
_struct.entry_id                     8Y1S 
_struct.title                        'in situ room temperature Laue crystallography' 
_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        8Y1S 
_struct_keywords.text            'Complex, LYASE' 
_struct_keywords.pdbx_keywords   LYASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    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              8Y1S 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 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_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   microscopy 
_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 A 4   HIS A 15  1 ? 12 
HELX_P HELX_P2 AA2 ASN A 19  ? TYR A 23  ? ASN A 19  TYR A 23  5 ? 5  
HELX_P HELX_P3 AA3 SER A 24  ? ASN A 37  ? SER A 24  ASN A 37  1 ? 14 
HELX_P HELX_P4 AA4 PRO A 79  ? SER A 85  ? PRO A 79  SER A 85  5 ? 7  
HELX_P HELX_P5 AA5 ILE A 88  ? VAL A 99  ? ILE A 88  VAL A 99  1 ? 12 
HELX_P HELX_P6 AA6 ASN A 103 ? ALA A 107 ? ASN A 103 ALA A 107 5 ? 5  
HELX_P HELX_P7 AA7 TRP A 108 ? CYS A 115 ? TRP A 108 CYS A 115 1 ? 8  
HELX_P HELX_P8 AA8 ASP A 119 ? ILE A 124 ? ASP A 119 ILE A 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 ? ? A CYS 6  A CYS 127 1_555 ? ? ? ? ? ? ? 2.039 ? ? 
disulf2 disulf ? ? A CYS 30 SG ? ? ? 1_555 A CYS 115 SG ? ? A CYS 30 A CYS 115 1_555 ? ? ? ? ? ? ? 2.015 ? ? 
disulf3 disulf ? ? A CYS 64 SG ? ? ? 1_555 A CYS 80  SG ? ? A CYS 64 A CYS 80  1_555 ? ? ? ? ? ? ? 2.021 ? ? 
disulf4 disulf ? ? A CYS 76 SG ? ? ? 1_555 A CYS 94  SG ? ? A CYS 76 A CYS 94  1_555 ? ? ? ? ? ? ? 2.031 ? ? 
# 
_struct_conn_type.id          disulf 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 CYS A 6  ? CYS A 127 ? CYS A 6  ? 1_555 CYS A 127 ? 1_555 SG SG . . . None 'Disulfide bridge' 
2 CYS A 30 ? CYS A 115 ? CYS A 30 ? 1_555 CYS A 115 ? 1_555 SG SG . . . None 'Disulfide bridge' 
3 CYS A 64 ? CYS A 80  ? CYS A 64 ? 1_555 CYS A 80  ? 1_555 SG SG . . . None 'Disulfide bridge' 
4 CYS A 76 ? CYS A 94  ? CYS A 76 ? 1_555 CYS A 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 A 43 ARG A 45 
AA1 2 THR A 51 ? TYR A 53 ? THR A 51 TYR A 53 
AA1 3 ILE A 58 ? ASN A 59 ? ILE A 58 ASN A 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 A 44 O ASP A 52 ? O ASP A 52 
AA1 2 3 N TYR A 53 ? N TYR A 53 O ILE A 58 ? O ILE A 58 
# 
_pdbx_entry_details.entry_id                   8Y1S 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     ? 
_pdbx_entry_details.has_protein_modification   Y 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 OD1 A ASN 77  ? ? O A HOH 201 ? ? 2.01 
2 1 O   A HOH 287 ? ? O A HOH 289 ? ? 2.02 
3 1 NZ  A LYS 97  ? ? O A HOH 202 ? ? 2.07 
4 1 OD1 A ASN 19  ? ? O A HOH 203 ? ? 2.13 
5 1 O   A TRP 28  ? ? O A HOH 204 ? ? 2.15 
6 1 O   A GLN 41  ? ? O A HOH 205 ? ? 2.15 
7 1 O   A HOH 226 ? ? O A HOH 239 ? ? 2.15 
8 1 OG1 A THR 47  ? ? O A HOH 206 ? ? 2.16 
9 1 O   A LEU 83  ? ? O A HOH 207 ? ? 2.17 
# 
loop_
_pdbx_validate_symm_contact.id 
_pdbx_validate_symm_contact.PDB_model_num 
_pdbx_validate_symm_contact.auth_atom_id_1 
_pdbx_validate_symm_contact.auth_asym_id_1 
_pdbx_validate_symm_contact.auth_comp_id_1 
_pdbx_validate_symm_contact.auth_seq_id_1 
_pdbx_validate_symm_contact.PDB_ins_code_1 
_pdbx_validate_symm_contact.label_alt_id_1 
_pdbx_validate_symm_contact.site_symmetry_1 
_pdbx_validate_symm_contact.auth_atom_id_2 
_pdbx_validate_symm_contact.auth_asym_id_2 
_pdbx_validate_symm_contact.auth_comp_id_2 
_pdbx_validate_symm_contact.auth_seq_id_2 
_pdbx_validate_symm_contact.PDB_ins_code_2 
_pdbx_validate_symm_contact.label_alt_id_2 
_pdbx_validate_symm_contact.site_symmetry_2 
_pdbx_validate_symm_contact.dist 
1 1 O A HOH 289 ? ? 1_555 O A HOH 289 ? ? 7_556 2.08 
2 1 O A HOH 282 ? ? 1_555 O A HOH 282 ? ? 7_555 2.17 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    ARG 
_pdbx_validate_torsion.auth_asym_id    A 
_pdbx_validate_torsion.auth_seq_id     68 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -140.80 
_pdbx_validate_torsion.psi             28.57 
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 A HOH 251 ? B HOH . 
2 1 A HOH 276 ? B HOH . 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1 x,y,z               
2 -y+1/2,x+1/2,z+3/4  
3 y+1/2,-x+1/2,z+1/4  
4 x+1/2,-y+1/2,-z+1/4 
5 -x+1/2,y+1/2,-z+3/4 
6 -x,-y,z+1/2         
7 y,x,-z              
8 -y,-x,-z+1/2        
# 
loop_
_pdbx_distant_solvent_atoms.id 
_pdbx_distant_solvent_atoms.PDB_model_num 
_pdbx_distant_solvent_atoms.auth_atom_id 
_pdbx_distant_solvent_atoms.label_alt_id 
_pdbx_distant_solvent_atoms.auth_asym_id 
_pdbx_distant_solvent_atoms.auth_comp_id 
_pdbx_distant_solvent_atoms.auth_seq_id 
_pdbx_distant_solvent_atoms.PDB_ins_code 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance 
1 1 O ? A HOH 287 ? 5.94 . 
2 1 O ? A HOH 288 ? 7.62 . 
3 1 O ? A HOH 289 ? 7.76 . 
4 1 O ? A HOH 290 ? 8.31 . 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
GLN N    N N N 88  
GLN CA   C N S 89  
GLN C    C N N 90  
GLN O    O N N 91  
GLN CB   C N N 92  
GLN CG   C N N 93  
GLN CD   C N N 94  
GLN OE1  O N N 95  
GLN NE2  N N N 96  
GLN OXT  O N N 97  
GLN H    H N N 98  
GLN H2   H N N 99  
GLN HA   H N N 100 
GLN HB2  H N N 101 
GLN HB3  H N N 102 
GLN HG2  H N N 103 
GLN HG3  H N N 104 
GLN HE21 H N N 105 
GLN HE22 H N N 106 
GLN HXT  H N N 107 
GLU N    N N N 108 
GLU CA   C N S 109 
GLU C    C N N 110 
GLU O    O N N 111 
GLU CB   C N N 112 
GLU CG   C N N 113 
GLU CD   C N N 114 
GLU OE1  O N N 115 
GLU OE2  O N N 116 
GLU OXT  O N N 117 
GLU H    H N N 118 
GLU H2   H N N 119 
GLU HA   H N N 120 
GLU HB2  H N N 121 
GLU HB3  H N N 122 
GLU HG2  H N N 123 
GLU HG3  H N N 124 
GLU HE2  H N N 125 
GLU HXT  H N N 126 
GLY N    N N N 127 
GLY CA   C N N 128 
GLY C    C N N 129 
GLY O    O N N 130 
GLY OXT  O N N 131 
GLY H    H N N 132 
GLY H2   H N N 133 
GLY HA2  H N N 134 
GLY HA3  H N N 135 
GLY HXT  H N N 136 
HIS N    N N N 137 
HIS CA   C N S 138 
HIS C    C N N 139 
HIS O    O N N 140 
HIS CB   C N N 141 
HIS CG   C Y N 142 
HIS ND1  N Y N 143 
HIS CD2  C Y N 144 
HIS CE1  C Y N 145 
HIS NE2  N Y N 146 
HIS OXT  O N N 147 
HIS H    H N N 148 
HIS H2   H N N 149 
HIS HA   H N N 150 
HIS HB2  H N N 151 
HIS HB3  H N N 152 
HIS HD1  H N N 153 
HIS HD2  H N N 154 
HIS HE1  H N N 155 
HIS HE2  H N N 156 
HIS HXT  H N N 157 
HOH O    O N N 158 
HOH H1   H N N 159 
HOH H2   H N N 160 
ILE N    N N N 161 
ILE CA   C N S 162 
ILE C    C N N 163 
ILE O    O N N 164 
ILE CB   C N S 165 
ILE CG1  C N N 166 
ILE CG2  C N N 167 
ILE CD1  C N N 168 
ILE OXT  O N N 169 
ILE H    H N N 170 
ILE H2   H N N 171 
ILE HA   H N N 172 
ILE HB   H N N 173 
ILE HG12 H N N 174 
ILE HG13 H N N 175 
ILE HG21 H N N 176 
ILE HG22 H N N 177 
ILE HG23 H N N 178 
ILE HD11 H N N 179 
ILE HD12 H N N 180 
ILE HD13 H N N 181 
ILE HXT  H N N 182 
LEU N    N N N 183 
LEU CA   C N S 184 
LEU C    C N N 185 
LEU O    O N N 186 
LEU CB   C N N 187 
LEU CG   C N N 188 
LEU CD1  C N N 189 
LEU CD2  C N N 190 
LEU OXT  O N N 191 
LEU H    H N N 192 
LEU H2   H N N 193 
LEU HA   H N N 194 
LEU HB2  H N N 195 
LEU HB3  H N N 196 
LEU HG   H N N 197 
LEU HD11 H N N 198 
LEU HD12 H N N 199 
LEU HD13 H N N 200 
LEU HD21 H N N 201 
LEU HD22 H N N 202 
LEU HD23 H N N 203 
LEU HXT  H N N 204 
LYS N    N N N 205 
LYS CA   C N S 206 
LYS C    C N N 207 
LYS O    O N N 208 
LYS CB   C N N 209 
LYS CG   C N N 210 
LYS CD   C N N 211 
LYS CE   C N N 212 
LYS NZ   N N N 213 
LYS OXT  O N N 214 
LYS H    H N N 215 
LYS H2   H N N 216 
LYS HA   H N N 217 
LYS HB2  H N N 218 
LYS HB3  H N N 219 
LYS HG2  H N N 220 
LYS HG3  H N N 221 
LYS HD2  H N N 222 
LYS HD3  H N N 223 
LYS HE2  H N N 224 
LYS HE3  H N N 225 
LYS HZ1  H N N 226 
LYS HZ2  H N N 227 
LYS HZ3  H N N 228 
LYS HXT  H N N 229 
MET N    N N N 230 
MET CA   C N S 231 
MET C    C N N 232 
MET O    O N N 233 
MET CB   C N N 234 
MET CG   C N N 235 
MET SD   S N N 236 
MET CE   C N N 237 
MET OXT  O N N 238 
MET H    H N N 239 
MET H2   H N N 240 
MET HA   H N N 241 
MET HB2  H N N 242 
MET HB3  H N N 243 
MET HG2  H N N 244 
MET HG3  H N N 245 
MET HE1  H N N 246 
MET HE2  H N N 247 
MET HE3  H N N 248 
MET HXT  H N N 249 
PHE N    N N N 250 
PHE CA   C N S 251 
PHE C    C N N 252 
PHE O    O N N 253 
PHE CB   C N N 254 
PHE CG   C Y N 255 
PHE CD1  C Y N 256 
PHE CD2  C Y N 257 
PHE CE1  C Y N 258 
PHE CE2  C Y N 259 
PHE CZ   C Y N 260 
PHE OXT  O N N 261 
PHE H    H N N 262 
PHE H2   H N N 263 
PHE HA   H N N 264 
PHE HB2  H N N 265 
PHE HB3  H N N 266 
PHE HD1  H N N 267 
PHE HD2  H N N 268 
PHE HE1  H N N 269 
PHE HE2  H N N 270 
PHE HZ   H N N 271 
PHE HXT  H N N 272 
PRO N    N N N 273 
PRO CA   C N S 274 
PRO C    C N N 275 
PRO O    O N N 276 
PRO CB   C N N 277 
PRO CG   C N N 278 
PRO CD   C N N 279 
PRO OXT  O N N 280 
PRO H    H N N 281 
PRO HA   H N N 282 
PRO HB2  H N N 283 
PRO HB3  H N N 284 
PRO HG2  H N N 285 
PRO HG3  H N N 286 
PRO HD2  H N N 287 
PRO HD3  H N N 288 
PRO HXT  H N N 289 
SER N    N N N 290 
SER CA   C N S 291 
SER C    C N N 292 
SER O    O N N 293 
SER CB   C N N 294 
SER OG   O N N 295 
SER OXT  O N N 296 
SER H    H N N 297 
SER H2   H N N 298 
SER HA   H N N 299 
SER HB2  H N N 300 
SER HB3  H N N 301 
SER HG   H N N 302 
SER HXT  H N N 303 
THR N    N N N 304 
THR CA   C N S 305 
THR C    C N N 306 
THR O    O N N 307 
THR CB   C N R 308 
THR OG1  O N N 309 
THR CG2  C N N 310 
THR OXT  O N N 311 
THR H    H N N 312 
THR H2   H N N 313 
THR HA   H N N 314 
THR HB   H N N 315 
THR HG1  H N N 316 
THR HG21 H N N 317 
THR HG22 H N N 318 
THR HG23 H N N 319 
THR HXT  H N N 320 
TRP N    N N N 321 
TRP CA   C N S 322 
TRP C    C N N 323 
TRP O    O N N 324 
TRP CB   C N N 325 
TRP CG   C Y N 326 
TRP CD1  C Y N 327 
TRP CD2  C Y N 328 
TRP NE1  N Y N 329 
TRP CE2  C Y N 330 
TRP CE3  C Y N 331 
TRP CZ2  C Y N 332 
TRP CZ3  C Y N 333 
TRP CH2  C Y N 334 
TRP OXT  O N N 335 
TRP H    H N N 336 
TRP H2   H N N 337 
TRP HA   H N N 338 
TRP HB2  H N N 339 
TRP HB3  H N N 340 
TRP HD1  H N N 341 
TRP HE1  H N N 342 
TRP HE3  H N N 343 
TRP HZ2  H N N 344 
TRP HZ3  H N N 345 
TRP HH2  H N N 346 
TRP HXT  H N N 347 
TYR N    N N N 348 
TYR CA   C N S 349 
TYR C    C N N 350 
TYR O    O N N 351 
TYR CB   C N N 352 
TYR CG   C Y N 353 
TYR CD1  C Y N 354 
TYR CD2  C Y N 355 
TYR CE1  C Y N 356 
TYR CE2  C Y N 357 
TYR CZ   C Y N 358 
TYR OH   O N N 359 
TYR OXT  O N N 360 
TYR H    H N N 361 
TYR H2   H N N 362 
TYR HA   H N N 363 
TYR HB2  H N N 364 
TYR HB3  H N N 365 
TYR HD1  H N N 366 
TYR HD2  H N N 367 
TYR HE1  H N N 368 
TYR HE2  H N N 369 
TYR HH   H N N 370 
TYR HXT  H N N 371 
VAL N    N N N 372 
VAL CA   C N S 373 
VAL C    C N N 374 
VAL O    O N N 375 
VAL CB   C N N 376 
VAL CG1  C N N 377 
VAL CG2  C N N 378 
VAL OXT  O N N 379 
VAL H    H N N 380 
VAL H2   H N N 381 
VAL HA   H N N 382 
VAL HB   H N N 383 
VAL HG11 H N N 384 
VAL HG12 H N N 385 
VAL HG13 H N N 386 
VAL HG21 H N N 387 
VAL HG22 H N N 388 
VAL HG23 H N N 389 
VAL HXT  H N N 390 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
HIS N   CA   sing N N 129 
HIS N   H    sing N N 130 
HIS N   H2   sing N N 131 
HIS CA  C    sing N N 132 
HIS CA  CB   sing N N 133 
HIS CA  HA   sing N N 134 
HIS C   O    doub N N 135 
HIS C   OXT  sing N N 136 
HIS CB  CG   sing N N 137 
HIS CB  HB2  sing N N 138 
HIS CB  HB3  sing N N 139 
HIS CG  ND1  sing Y N 140 
HIS CG  CD2  doub Y N 141 
HIS ND1 CE1  doub Y N 142 
HIS ND1 HD1  sing N N 143 
HIS CD2 NE2  sing Y N 144 
HIS CD2 HD2  sing N N 145 
HIS CE1 NE2  sing Y N 146 
HIS CE1 HE1  sing N N 147 
HIS NE2 HE2  sing N N 148 
HIS OXT HXT  sing N N 149 
HOH O   H1   sing N N 150 
HOH O   H2   sing N N 151 
ILE N   CA   sing N N 152 
ILE N   H    sing N N 153 
ILE N   H2   sing N N 154 
ILE CA  C    sing N N 155 
ILE CA  CB   sing N N 156 
ILE CA  HA   sing N N 157 
ILE C   O    doub N N 158 
ILE C   OXT  sing N N 159 
ILE CB  CG1  sing N N 160 
ILE CB  CG2  sing N N 161 
ILE CB  HB   sing N N 162 
ILE CG1 CD1  sing N N 163 
ILE CG1 HG12 sing N N 164 
ILE CG1 HG13 sing N N 165 
ILE CG2 HG21 sing N N 166 
ILE CG2 HG22 sing N N 167 
ILE CG2 HG23 sing N N 168 
ILE CD1 HD11 sing N N 169 
ILE CD1 HD12 sing N N 170 
ILE CD1 HD13 sing N N 171 
ILE OXT HXT  sing N N 172 
LEU N   CA   sing N N 173 
LEU N   H    sing N N 174 
LEU N   H2   sing N N 175 
LEU CA  C    sing N N 176 
LEU CA  CB   sing N N 177 
LEU CA  HA   sing N N 178 
LEU C   O    doub N N 179 
LEU C   OXT  sing N N 180 
LEU CB  CG   sing N N 181 
LEU CB  HB2  sing N N 182 
LEU CB  HB3  sing N N 183 
LEU CG  CD1  sing N N 184 
LEU CG  CD2  sing N N 185 
LEU CG  HG   sing N N 186 
LEU CD1 HD11 sing N N 187 
LEU CD1 HD12 sing N N 188 
LEU CD1 HD13 sing N N 189 
LEU CD2 HD21 sing N N 190 
LEU CD2 HD22 sing N N 191 
LEU CD2 HD23 sing N N 192 
LEU OXT HXT  sing N N 193 
LYS N   CA   sing N N 194 
LYS N   H    sing N N 195 
LYS N   H2   sing N N 196 
LYS CA  C    sing N N 197 
LYS CA  CB   sing N N 198 
LYS CA  HA   sing N N 199 
LYS C   O    doub N N 200 
LYS C   OXT  sing N N 201 
LYS CB  CG   sing N N 202 
LYS CB  HB2  sing N N 203 
LYS CB  HB3  sing N N 204 
LYS CG  CD   sing N N 205 
LYS CG  HG2  sing N N 206 
LYS CG  HG3  sing N N 207 
LYS CD  CE   sing N N 208 
LYS CD  HD2  sing N N 209 
LYS CD  HD3  sing N N 210 
LYS CE  NZ   sing N N 211 
LYS CE  HE2  sing N N 212 
LYS CE  HE3  sing N N 213 
LYS NZ  HZ1  sing N N 214 
LYS NZ  HZ2  sing N N 215 
LYS NZ  HZ3  sing N N 216 
LYS OXT HXT  sing N N 217 
MET N   CA   sing N N 218 
MET N   H    sing N N 219 
MET N   H2   sing N N 220 
MET CA  C    sing N N 221 
MET CA  CB   sing N N 222 
MET CA  HA   sing N N 223 
MET C   O    doub N N 224 
MET C   OXT  sing N N 225 
MET CB  CG   sing N N 226 
MET CB  HB2  sing N N 227 
MET CB  HB3  sing N N 228 
MET CG  SD   sing N N 229 
MET CG  HG2  sing N N 230 
MET CG  HG3  sing N N 231 
MET SD  CE   sing N N 232 
MET CE  HE1  sing N N 233 
MET CE  HE2  sing N N 234 
MET CE  HE3  sing N N 235 
MET OXT HXT  sing N N 236 
PHE N   CA   sing N N 237 
PHE N   H    sing N N 238 
PHE N   H2   sing N N 239 
PHE CA  C    sing N N 240 
PHE CA  CB   sing N N 241 
PHE CA  HA   sing N N 242 
PHE C   O    doub N N 243 
PHE C   OXT  sing N N 244 
PHE CB  CG   sing N N 245 
PHE CB  HB2  sing N N 246 
PHE CB  HB3  sing N N 247 
PHE CG  CD1  doub Y N 248 
PHE CG  CD2  sing Y N 249 
PHE CD1 CE1  sing Y N 250 
PHE CD1 HD1  sing N N 251 
PHE CD2 CE2  doub Y N 252 
PHE CD2 HD2  sing N N 253 
PHE CE1 CZ   doub Y N 254 
PHE CE1 HE1  sing N N 255 
PHE CE2 CZ   sing Y N 256 
PHE CE2 HE2  sing N N 257 
PHE CZ  HZ   sing N N 258 
PHE OXT HXT  sing N N 259 
PRO N   CA   sing N N 260 
PRO N   CD   sing N N 261 
PRO N   H    sing N N 262 
PRO CA  C    sing N N 263 
PRO CA  CB   sing N N 264 
PRO CA  HA   sing N N 265 
PRO C   O    doub N N 266 
PRO C   OXT  sing N N 267 
PRO CB  CG   sing N N 268 
PRO CB  HB2  sing N N 269 
PRO CB  HB3  sing N N 270 
PRO CG  CD   sing N N 271 
PRO CG  HG2  sing N N 272 
PRO CG  HG3  sing N N 273 
PRO CD  HD2  sing N N 274 
PRO CD  HD3  sing N N 275 
PRO OXT HXT  sing N N 276 
SER N   CA   sing N N 277 
SER N   H    sing N N 278 
SER N   H2   sing N N 279 
SER CA  C    sing N N 280 
SER CA  CB   sing N N 281 
SER CA  HA   sing N N 282 
SER C   O    doub N N 283 
SER C   OXT  sing N N 284 
SER CB  OG   sing N N 285 
SER CB  HB2  sing N N 286 
SER CB  HB3  sing N N 287 
SER OG  HG   sing N N 288 
SER OXT HXT  sing N N 289 
THR N   CA   sing N N 290 
THR N   H    sing N N 291 
THR N   H2   sing N N 292 
THR CA  C    sing N N 293 
THR CA  CB   sing N N 294 
THR CA  HA   sing N N 295 
THR C   O    doub N N 296 
THR C   OXT  sing N N 297 
THR CB  OG1  sing N N 298 
THR CB  CG2  sing N N 299 
THR CB  HB   sing N N 300 
THR OG1 HG1  sing N N 301 
THR CG2 HG21 sing N N 302 
THR CG2 HG22 sing N N 303 
THR CG2 HG23 sing N N 304 
THR OXT HXT  sing N N 305 
TRP N   CA   sing N N 306 
TRP N   H    sing N N 307 
TRP N   H2   sing N N 308 
TRP CA  C    sing N N 309 
TRP CA  CB   sing N N 310 
TRP CA  HA   sing N N 311 
TRP C   O    doub N N 312 
TRP C   OXT  sing N N 313 
TRP CB  CG   sing N N 314 
TRP CB  HB2  sing N N 315 
TRP CB  HB3  sing N N 316 
TRP CG  CD1  doub Y N 317 
TRP CG  CD2  sing Y N 318 
TRP CD1 NE1  sing Y N 319 
TRP CD1 HD1  sing N N 320 
TRP CD2 CE2  doub Y N 321 
TRP CD2 CE3  sing Y N 322 
TRP NE1 CE2  sing Y N 323 
TRP NE1 HE1  sing N N 324 
TRP CE2 CZ2  sing Y N 325 
TRP CE3 CZ3  doub Y N 326 
TRP CE3 HE3  sing N N 327 
TRP CZ2 CH2  doub Y N 328 
TRP CZ2 HZ2  sing N N 329 
TRP CZ3 CH2  sing Y N 330 
TRP CZ3 HZ3  sing N N 331 
TRP CH2 HH2  sing N N 332 
TRP OXT HXT  sing N N 333 
TYR N   CA   sing N N 334 
TYR N   H    sing N N 335 
TYR N   H2   sing N N 336 
TYR CA  C    sing N N 337 
TYR CA  CB   sing N N 338 
TYR CA  HA   sing N N 339 
TYR C   O    doub N N 340 
TYR C   OXT  sing N N 341 
TYR CB  CG   sing N N 342 
TYR CB  HB2  sing N N 343 
TYR CB  HB3  sing N N 344 
TYR CG  CD1  doub Y N 345 
TYR CG  CD2  sing Y N 346 
TYR CD1 CE1  sing Y N 347 
TYR CD1 HD1  sing N N 348 
TYR CD2 CE2  doub Y N 349 
TYR CD2 HD2  sing N N 350 
TYR CE1 CZ   doub Y N 351 
TYR CE1 HE1  sing N N 352 
TYR CE2 CZ   sing Y N 353 
TYR CE2 HE2  sing N N 354 
TYR CZ  OH   sing N N 355 
TYR OH  HH   sing N N 356 
TYR OXT HXT  sing N N 357 
VAL N   CA   sing N N 358 
VAL N   H    sing N N 359 
VAL N   H2   sing N N 360 
VAL CA  C    sing N N 361 
VAL CA  CB   sing N N 362 
VAL CA  HA   sing N N 363 
VAL C   O    doub N N 364 
VAL C   OXT  sing N N 365 
VAL CB  CG1  sing N N 366 
VAL CB  CG2  sing N N 367 
VAL CB  HB   sing N N 368 
VAL CG1 HG11 sing N N 369 
VAL CG1 HG12 sing N N 370 
VAL CG1 HG13 sing N N 371 
VAL CG2 HG21 sing N N 372 
VAL CG2 HG22 sing N N 373 
VAL CG2 HG23 sing N N 374 
VAL OXT HXT  sing N N 375 
# 
_pdbx_audit_support.funding_organization   'National Basic Research Program of China (973 Program)' 
_pdbx_audit_support.country                China 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   2EPE 
_pdbx_initial_refinement_model.details          ? 
# 
_space_group.name_H-M_alt     'P 43 21 2' 
_space_group.name_Hall        'P 4nw 2abw' 
_space_group.IT_number        96 
_space_group.crystal_system   tetragonal 
_space_group.id               1 
# 
_atom_sites.entry_id                    8Y1S 
_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]   0.012729 
_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]   0.012729 
_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]   0.026624 
_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.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C ? ? 3.54356 2.42580 ? ? 25.62398 1.50364  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N ? ? 4.01032 2.96436 ? ? 19.97189 1.75589  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O ? ? 4.49882 3.47563 ? ? 15.80542 1.70748  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
S ? ? 9.55732 6.39887 ? ? 1.23737  29.19336 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N   . LYS A 1 1   ? -3.18600  -10.05100 -8.58100  1.000 5.90033  ? 1   LYS A N   1 
ATOM   2    C CA  . LYS A 1 1   ? -2.50400  -10.40800 -9.81700  1.000 9.19033  ? 1   LYS A CA  1 
ATOM   3    C C   . LYS A 1 1   ? -2.51800  -11.93200 -10.01200 1.000 7.17033  ? 1   LYS A C   1 
ATOM   4    O O   . LYS A 1 1   ? -2.50600  -12.71500 -9.03600  1.000 5.66033  ? 1   LYS A O   1 
ATOM   5    C CB  . LYS A 1 1   ? -1.07200  -9.85100  -9.79800  1.000 9.46033  ? 1   LYS A CB  1 
ATOM   6    C CG  . LYS A 1 1   ? 0.03200   -10.81300 -10.24400 1.000 5.09033  ? 1   LYS A CG  1 
ATOM   7    C CD  . LYS A 1 1   ? 1.42500   -10.20500 -10.11100 1.000 10.49033 ? 1   LYS A CD  1 
ATOM   8    C CE  . LYS A 1 1   ? 2.43400   -10.96400 -10.96900 1.000 15.85033 ? 1   LYS A CE  1 
ATOM   9    N NZ  . LYS A 1 1   ? 3.69500   -10.18600 -11.13600 1.000 18.05033 ? 1   LYS A NZ  1 
ATOM   10   N N   . VAL A 1 2   ? -2.58500  -12.36200 -11.26600 1.000 9.06033  ? 2   VAL A N   1 
ATOM   11   C CA  . VAL A 1 2   ? -2.45500  -13.77600 -11.55300 1.000 7.57033  ? 2   VAL A CA  1 
ATOM   12   C C   . VAL A 1 2   ? -1.01600  -13.98900 -12.00400 1.000 7.53033  ? 2   VAL A C   1 
ATOM   13   O O   . VAL A 1 2   ? -0.55800  -13.36400 -12.95200 1.000 8.93033  ? 2   VAL A O   1 
ATOM   14   C CB  . VAL A 1 2   ? -3.48000  -14.26700 -12.60800 1.000 4.55033  ? 2   VAL A CB  1 
ATOM   15   C CG1 . VAL A 1 2   ? -3.36100  -15.76600 -12.79300 1.000 6.70033  ? 2   VAL A CG1 1 
ATOM   16   C CG2 . VAL A 1 2   ? -4.89900  -13.92700 -12.17900 1.000 7.65033  ? 2   VAL A CG2 1 
ATOM   17   N N   . PHE A 1 3   ? -0.29900  -14.86100 -11.30800 1.000 7.19033  ? 3   PHE A N   1 
ATOM   18   C CA  . PHE A 1 3   ? 1.10900   -15.10000 -11.60600 1.000 11.59033 ? 3   PHE A CA  1 
ATOM   19   C C   . PHE A 1 3   ? 1.30400   -16.07900 -12.75100 1.000 13.90033 ? 3   PHE A C   1 
ATOM   20   O O   . PHE A 1 3   ? 0.48000   -16.97200 -12.99300 1.000 6.53033  ? 3   PHE A O   1 
ATOM   21   C CB  . PHE A 1 3   ? 1.83400   -15.64900 -10.36800 1.000 6.05033  ? 3   PHE A CB  1 
ATOM   22   C CG  . PHE A 1 3   ? 2.39700   -14.59400 -9.47500  1.000 8.47033  ? 3   PHE A CG  1 
ATOM   23   C CD1 . PHE A 1 3   ? 1.59000   -13.97400 -8.53100  1.000 13.02033 ? 3   PHE A CD1 1 
ATOM   24   C CD2 . PHE A 1 3   ? 3.73500   -14.23600 -9.55100  1.000 10.63033 ? 3   PHE A CD2 1 
ATOM   25   C CE1 . PHE A 1 3   ? 2.10000   -13.00300 -7.70000  1.000 7.95033  ? 3   PHE A CE1 1 
ATOM   26   C CE2 . PHE A 1 3   ? 4.25400   -13.26600 -8.71500  1.000 12.22033 ? 3   PHE A CE2 1 
ATOM   27   C CZ  . PHE A 1 3   ? 3.43200   -12.64900 -7.78000  1.000 8.77033  ? 3   PHE A CZ  1 
ATOM   28   N N   . GLY A 1 4   ? 2.41400   -15.92600 -13.45500 1.000 12.34033 ? 4   GLY A N   1 
ATOM   29   C CA  . GLY A 1 4   ? 2.84500   -16.99300 -14.32900 1.000 16.64033 ? 4   GLY A CA  1 
ATOM   30   C C   . GLY A 1 4   ? 3.48500   -18.03800 -13.43200 1.000 12.24033 ? 4   GLY A C   1 
ATOM   31   O O   . GLY A 1 4   ? 3.95400   -17.71700 -12.33800 1.000 13.63033 ? 4   GLY A O   1 
ATOM   32   N N   . ARG A 1 5   ? 3.46100   -19.28900 -13.88000 1.000 16.75033 ? 5   ARG A N   1 
ATOM   33   C CA  . ARG A 1 5   ? 4.11300   -20.38400 -13.18300 1.000 8.14033  ? 5   ARG A CA  1 
ATOM   34   C C   . ARG A 1 5   ? 5.58500   -20.02600 -12.91600 1.000 13.21033 ? 5   ARG A C   1 
ATOM   35   O O   . ARG A 1 5   ? 6.00300   -19.88100 -11.76600 1.000 6.99033  ? 5   ARG A O   1 
ATOM   36   C CB  . ARG A 1 5   ? 3.97700   -21.67100 -14.00700 1.000 4.17033  ? 5   ARG A CB  1 
ATOM   37   C CG  . ARG A 1 5   ? 4.67400   -22.88000 -13.42900 1.000 12.87033 ? 5   ARG A CG  1 
ATOM   38   C CD  . ARG A 1 5   ? 4.37500   -24.09900 -14.29500 1.000 10.80033 ? 5   ARG A CD  1 
ATOM   39   N NE  . ARG A 1 5   ? 5.02500   -23.96600 -15.59400 1.000 14.01033 ? 5   ARG A NE  1 
ATOM   40   C CZ  . ARG A 1 5   ? 6.31500   -24.17800 -15.82500 1.000 19.12033 ? 5   ARG A CZ  1 
ATOM   41   N NH1 . ARG A 1 5   ? 7.11900   -24.67000 -14.89000 1.000 21.20033 ? 5   ARG A NH1 1 
ATOM   42   N NH2 . ARG A 1 5   ? 6.81700   -23.87800 -17.02000 1.000 13.86033 ? 5   ARG A NH2 1 
ATOM   43   N N   . CYS A 1 6   ? 6.37500   -19.84400 -13.96900 1.000 10.52033 ? 6   CYS A N   1 
ATOM   44   C CA  . CYS A 1 6   ? 7.77700   -19.47700 -13.76400 1.000 7.90033  ? 6   CYS A CA  1 
ATOM   45   C C   . CYS A 1 6   ? 7.97100   -18.15600 -13.00500 1.000 9.29033  ? 6   CYS A C   1 
ATOM   46   O O   . CYS A 1 6   ? 8.90900   -18.01500 -12.21200 1.000 10.10033 ? 6   CYS A O   1 
ATOM   47   C CB  . CYS A 1 6   ? 8.50300   -19.41400 -15.10200 1.000 10.30033 ? 6   CYS A CB  1 
ATOM   48   S SG  . CYS A 1 6   ? 8.59500   -20.99600 -15.83800 1.000 13.02033 ? 6   CYS A SG  1 
ATOM   49   N N   . GLU A 1 7   ? 7.07600   -17.19500 -13.23300 1.000 10.15033 ? 7   GLU A N   1 
ATOM   50   C CA  . GLU A 1 7   ? 7.18200   -15.90100 -12.57300 1.000 7.43033  ? 7   GLU A CA  1 
ATOM   51   C C   . GLU A 1 7   ? 7.04100   -16.05700 -11.05900 1.000 14.21033 ? 7   GLU A C   1 
ATOM   52   O O   . GLU A 1 7   ? 7.84500   -15.53000 -10.28300 1.000 4.00033  ? 7   GLU A O   1 
ATOM   53   C CB  . GLU A 1 7   ? 6.12400   -14.93800 -13.12300 1.000 14.61033 ? 7   GLU A CB  1 
ATOM   54   C CG  . GLU A 1 7   ? 6.17300   -13.53300 -12.53000 1.000 16.97033 ? 7   GLU A CG  1 
ATOM   55   C CD  . GLU A 1 7   ? 4.99000   -12.69100 -12.97200 1.000 17.55033 ? 7   GLU A CD  1 
ATOM   56   O OE1 . GLU A 1 7   ? 3.96700   -13.28300 -13.38300 1.000 17.29033 ? 7   GLU A OE1 1 
ATOM   57   O OE2 . GLU A 1 7   ? 5.07700   -11.44600 -12.91200 1.000 24.27033 ? 7   GLU A OE2 1 
ATOM   58   N N   . LEU A 1 8   ? 6.02300   -16.80500 -10.64800 1.000 7.59033  ? 8   LEU A N   1 
ATOM   59   C CA  . LEU A 1 8   ? 5.80700   -17.10000 -9.24300  1.000 8.72033  ? 8   LEU A CA  1 
ATOM   60   C C   . LEU A 1 8   ? 6.94800   -17.93400 -8.69900  1.000 6.69033  ? 8   LEU A C   1 
ATOM   61   O O   . LEU A 1 8   ? 7.38200   -17.72300 -7.58000  1.000 5.43033  ? 8   LEU A O   1 
ATOM   62   C CB  . LEU A 1 8   ? 4.47600   -17.82500 -9.04300  1.000 6.75033  ? 8   LEU A CB  1 
ATOM   63   C CG  . LEU A 1 8   ? 4.20900   -18.27500 -7.61400  1.000 6.17033  ? 8   LEU A CG  1 
ATOM   64   C CD1 . LEU A 1 8   ? 4.14800   -17.02900 -6.73300  1.000 11.14033 ? 8   LEU A CD1 1 
ATOM   65   C CD2 . LEU A 1 8   ? 2.88600   -19.05000 -7.52100  1.000 6.70033  ? 8   LEU A CD2 1 
ATOM   66   N N   . ALA A 1 9   ? 7.42100   -18.88200 -9.50300  1.000 9.01033  ? 9   ALA A N   1 
ATOM   67   C CA  . ALA A 1 9   ? 8.58100   -19.69100 -9.13600  1.000 7.59033  ? 9   ALA A CA  1 
ATOM   68   C C   . ALA A 1 9   ? 9.74600   -18.79500 -8.74200  1.000 9.86033  ? 9   ALA A C   1 
ATOM   69   O O   . ALA A 1 9   ? 10.38400  -19.01000 -7.71400  1.000 10.05033 ? 9   ALA A O   1 
ATOM   70   C CB  . ALA A 1 9   ? 8.97900   -20.60600 -10.27900 1.000 9.32033  ? 9   ALA A CB  1 
ATOM   71   N N   . ALA A 1 10  ? 9.99000   -17.76600 -9.55200  1.000 7.14033  ? 10  ALA A N   1 
ATOM   72   C CA  . ALA A 1 10  ? 11.09100  -16.82800 -9.30200  1.000 9.41033  ? 10  ALA A CA  1 
ATOM   73   C C   . ALA A 1 10  ? 10.88000  -15.94800 -8.06200  1.000 8.12033  ? 10  ALA A C   1 
ATOM   74   O O   . ALA A 1 10  ? 11.79200  -15.75300 -7.28400  1.000 10.59033 ? 10  ALA A O   1 
ATOM   75   C CB  . ALA A 1 10  ? 11.30500  -15.96500 -10.52000 1.000 8.85033  ? 10  ALA A CB  1 
ATOM   76   N N   . ALA A 1 11  ? 9.68400   -15.41000 -7.87300  1.000 10.24033 ? 11  ALA A N   1 
ATOM   77   C CA  . ALA A 1 11  ? 9.42600   -14.59700 -6.69100  1.000 6.80033  ? 11  ALA A CA  1 
ATOM   78   C C   . ALA A 1 11  ? 9.53400   -15.44000 -5.42400  1.000 8.27033  ? 11  ALA A C   1 
ATOM   79   O O   . ALA A 1 11  ? 10.00300  -14.96500 -4.38700  1.000 9.98033  ? 11  ALA A O   1 
ATOM   80   C CB  . ALA A 1 11  ? 8.05200   -13.94800 -6.77300  1.000 13.94033 ? 11  ALA A CB  1 
ATOM   81   N N   . MET A 1 12  ? 9.09100   -16.69600 -5.51100  1.000 7.23033  ? 12  MET A N   1 
ATOM   82   C CA  . MET A 1 12  ? 9.10900   -17.61000 -4.36800  1.000 5.08033  ? 12  MET A CA  1 
ATOM   83   C C   . MET A 1 12  ? 10.51900  -17.91200 -3.92200  1.000 11.32033 ? 12  MET A C   1 
ATOM   84   O O   . MET A 1 12  ? 10.82200  -17.84500 -2.73400  1.000 11.08033 ? 12  MET A O   1 
ATOM   85   C CB  . MET A 1 12  ? 8.36800   -18.89500 -4.72100  1.000 5.94033  ? 12  MET A CB  1 
ATOM   86   C CG  . MET A 1 12  ? 6.88800   -18.69400 -4.91900  1.000 8.28033  ? 12  MET A CG  1 
ATOM   87   S SD  . MET A 1 12  ? 5.95500   -20.18200 -4.61400  1.000 5.85033  ? 12  MET A SD  1 
ATOM   88   C CE  . MET A 1 12  ? 4.45100   -19.52700 -3.90300  1.000 7.14033  ? 12  MET A CE  1 
ATOM   89   N N   . LYS A 1 13  ? 11.37600  -18.23900 -4.88300  1.000 8.87033  ? 13  LYS A N   1 
ATOM   90   C CA  . LYS A 1 13  ? 12.79500  -18.46500 -4.61500  1.000 13.33033 ? 13  LYS A CA  1 
ATOM   91   C C   . LYS A 1 13  ? 13.50600  -17.19800 -4.13100  1.000 11.62033 ? 13  LYS A C   1 
ATOM   92   O O   . LYS A 1 13  ? 14.34800  -17.25600 -3.23700  1.000 8.54033  ? 13  LYS A O   1 
ATOM   93   C CB  . LYS A 1 13  ? 13.49100  -19.00200 -5.87100  1.000 12.14033 ? 13  LYS A CB  1 
ATOM   94   C CG  . LYS A 1 13  ? 15.00800  -18.92400 -5.82400  1.000 17.31033 ? 13  LYS A CG  1 
ATOM   95   C CD  . LYS A 1 13  ? 15.66300  -19.63900 -7.01200  1.000 30.73033 ? 13  LYS A CD  1 
ATOM   96   C CE  . LYS A 1 13  ? 16.73400  -20.64400 -6.56400  1.000 27.92033 ? 13  LYS A CE  1 
ATOM   97   N NZ  . LYS A 1 13  ? 17.09400  -21.60600 -7.66300  1.000 24.97033 ? 13  LYS A NZ  1 
ATOM   98   N N   . ARG A 1 14  ? 13.17100  -16.05500 -4.72600  1.000 8.25033  ? 14  ARG A N   1 
ATOM   99   C CA  . ARG A 1 14  ? 13.74400  -14.77900 -4.30900  1.000 6.93033  ? 14  ARG A CA  1 
ATOM   100  C C   . ARG A 1 14  ? 13.44300  -14.55900 -2.83700  1.000 14.47033 ? 14  ARG A C   1 
ATOM   101  O O   . ARG A 1 14  ? 14.22800  -13.95400 -2.11500  1.000 17.88033 ? 14  ARG A O   1 
ATOM   102  C CB  . ARG A 1 14  ? 13.17100  -13.62700 -5.13700  1.000 9.99033  ? 14  ARG A CB  1 
ATOM   103  C CG  . ARG A 1 14  ? 13.42500  -12.24400 -4.55300  1.000 23.61033 ? 14  ARG A CG  1 
ATOM   104  C CD  . ARG A 1 14  ? 13.63900  -11.19100 -5.63100  1.000 24.92033 ? 14  ARG A CD  1 
ATOM   105  N NE  . ARG A 1 14  ? 12.37000  -10.56000 -5.97700  1.000 31.85033 ? 14  ARG A NE  1 
ATOM   106  C CZ  . ARG A 1 14  ? 11.70400  -9.72800  -5.18400  1.000 27.56033 ? 14  ARG A CZ  1 
ATOM   107  N NH1 . ARG A 1 14  ? 12.21600  -9.30500  -4.03900  1.000 23.89033 ? 14  ARG A NH1 1 
ATOM   108  N NH2 . ARG A 1 14  ? 10.49700  -9.30700  -5.55300  1.000 31.53033 ? 14  ARG A NH2 1 
ATOM   109  N N   . HIS A 1 15  ? 12.29100  -15.06500 -2.40800  1.000 9.93033  ? 15  HIS A N   1 
ATOM   110  C CA  . HIS A 1 15  ? 11.80700  -14.83600 -1.05500  1.000 12.52033 ? 15  HIS A CA  1 
ATOM   111  C C   . HIS A 1 15  ? 12.17700  -15.95600 -0.09700  1.000 9.00033  ? 15  HIS A C   1 
ATOM   112  O O   . HIS A 1 15  ? 11.64500  -16.02000 1.00800   1.000 13.33033 ? 15  HIS A O   1 
ATOM   113  C CB  . HIS A 1 15  ? 10.29200  -14.65000 -1.06100  1.000 16.96033 ? 15  HIS A CB  1 
ATOM   114  C CG  . HIS A 1 15  ? 9.85600   -13.26900 -1.44100  1.000 14.61033 ? 15  HIS A CG  1 
ATOM   115  N ND1 . HIS A 1 15  ? 9.59000   -12.90200 -2.74100  1.000 14.41033 ? 15  HIS A ND1 1 
ATOM   116  C CD2 . HIS A 1 15  ? 9.67600   -12.15800 -0.69000  1.000 16.76033 ? 15  HIS A CD2 1 
ATOM   117  C CE1 . HIS A 1 15  ? 9.23200   -11.63000 -2.77200  1.000 19.32033 ? 15  HIS A CE1 1 
ATOM   118  N NE2 . HIS A 1 15  ? 9.28500   -11.15400 -1.54300  1.000 24.14033 ? 15  HIS A NE2 1 
ATOM   119  N N   . GLY A 1 16  ? 13.07600  -16.83900 -0.53100  1.000 13.69033 ? 16  GLY A N   1 
ATOM   120  C CA  . GLY A 1 16  ? 13.66400  -17.84800 0.33100   1.000 14.16033 ? 16  GLY A CA  1 
ATOM   121  C C   . GLY A 1 16  ? 12.85300  -19.12100 0.52500   1.000 18.63033 ? 16  GLY A C   1 
ATOM   122  O O   . GLY A 1 16  ? 13.11300  -19.90000 1.44400   1.000 17.40033 ? 16  GLY A O   1 
ATOM   123  N N   . LEU A 1 17  ? 11.87100  -19.35000 -0.34100  1.000 15.32033 ? 17  LEU A N   1 
ATOM   124  C CA  . LEU A 1 17  ? 11.01400  -20.52200 -0.17800  1.000 17.69033 ? 17  LEU A CA  1 
ATOM   125  C C   . LEU A 1 17  ? 11.64600  -21.81000 -0.70200  1.000 16.57033 ? 17  LEU A C   1 
ATOM   126  O O   . LEU A 1 17  ? 11.25700  -22.90000 -0.27800  1.000 14.93033 ? 17  LEU A O   1 
ATOM   127  C CB  . LEU A 1 17  ? 9.65600   -20.28100 -0.84400  1.000 9.18033  ? 17  LEU A CB  1 
ATOM   128  C CG  . LEU A 1 17  ? 8.65600   -19.52000 0.05100   1.000 8.94033  ? 17  LEU A CG  1 
ATOM   129  C CD1 . LEU A 1 17  ? 7.29600   -19.39700 -0.60500  1.000 5.91033  ? 17  LEU A CD1 1 
ATOM   130  C CD2 . LEU A 1 17  ? 8.50500   -20.20000 1.41700   1.000 8.66033  ? 17  LEU A CD2 1 
ATOM   131  N N   . ASP A 1 18  ? 12.63200  -21.70400 -1.59400  1.000 11.26033 ? 18  ASP A N   1 
ATOM   132  C CA  . ASP A 1 18  ? 13.27200  -22.90700 -2.11600  1.000 15.05033 ? 18  ASP A CA  1 
ATOM   133  C C   . ASP A 1 18  ? 13.97400  -23.63800 -0.96900  1.000 13.73033 ? 18  ASP A C   1 
ATOM   134  O O   . ASP A 1 18  ? 14.77700  -23.04900 -0.23400  1.000 16.20033 ? 18  ASP A O   1 
ATOM   135  C CB  . ASP A 1 18  ? 14.24900  -22.56300 -3.24300  1.000 7.21033  ? 18  ASP A CB  1 
ATOM   136  C CG  . ASP A 1 18  ? 14.74600  -23.78900 -3.99300  1.000 20.05033 ? 18  ASP A CG  1 
ATOM   137  O OD1 . ASP A 1 18  ? 14.10400  -24.85500 -3.90600  1.000 13.49033 ? 18  ASP A OD1 1 
ATOM   138  O OD2 . ASP A 1 18  ? 15.77100  -23.67300 -4.69900  1.000 25.16033 ? 18  ASP A OD2 1 
ATOM   139  N N   . ASN A 1 19  ? 13.61400  -24.91300 -0.80600  1.000 12.08033 ? 19  ASN A N   1 
ATOM   140  C CA  . ASN A 1 19  ? 14.12500  -25.79600 0.24900   1.000 12.43033 ? 19  ASN A CA  1 
ATOM   141  C C   . ASN A 1 19  ? 13.91400  -25.25800 1.65600   1.000 17.04033 ? 19  ASN A C   1 
ATOM   142  O O   . ASN A 1 19  ? 14.63600  -25.63000 2.58200   1.000 12.80033 ? 19  ASN A O   1 
ATOM   143  C CB  . ASN A 1 19  ? 15.60500  -26.08900 0.03100   1.000 13.75033 ? 19  ASN A CB  1 
ATOM   144  C CG  . ASN A 1 19  ? 15.89600  -26.51100 -1.38100  1.000 19.12033 ? 19  ASN A CG  1 
ATOM   145  O OD1 . ASN A 1 19  ? 15.34900  -27.50100 -1.86400  1.000 19.45033 ? 19  ASN A OD1 1 
ATOM   146  N ND2 . ASN A 1 19  ? 16.75600  -25.76400 -2.06200  1.000 15.92033 ? 19  ASN A ND2 1 
ATOM   147  N N   . TYR A 1 20  ? 12.92400  -24.38900 1.82700   1.000 6.25033  ? 20  TYR A N   1 
ATOM   148  C CA  . TYR A 1 20  ? 12.57500  -23.96200 3.17100   1.000 7.45033  ? 20  TYR A CA  1 
ATOM   149  C C   . TYR A 1 20  ? 11.99100  -25.16000 3.89700   1.000 11.40033 ? 20  TYR A C   1 
ATOM   150  O O   . TYR A 1 20  ? 11.00700  -25.75100 3.44800   1.000 9.77033  ? 20  TYR A O   1 
ATOM   151  C CB  . TYR A 1 20  ? 11.61000  -22.77500 3.15200   1.000 7.48033  ? 20  TYR A CB  1 
ATOM   152  C CG  . TYR A 1 20  ? 11.44200  -22.15600 4.51300   1.000 8.11033  ? 20  TYR A CG  1 
ATOM   153  C CD1 . TYR A 1 20  ? 12.40100  -21.28400 5.01800   1.000 6.30033  ? 20  TYR A CD1 1 
ATOM   154  C CD2 . TYR A 1 20  ? 10.33000  -22.44700 5.30100   1.000 7.76033  ? 20  TYR A CD2 1 
ATOM   155  C CE1 . TYR A 1 20  ? 12.26200  -20.71900 6.28600   1.000 17.60033 ? 20  TYR A CE1 1 
ATOM   156  C CE2 . TYR A 1 20  ? 10.17300  -21.88300 6.55900   1.000 12.23033 ? 20  TYR A CE2 1 
ATOM   157  C CZ  . TYR A 1 20  ? 11.14200  -21.02500 7.05200   1.000 24.13033 ? 20  TYR A CZ  1 
ATOM   158  O OH  . TYR A 1 20  ? 10.99100  -20.47400 8.30900   1.000 12.18033 ? 20  TYR A OH  1 
ATOM   159  N N   . ARG A 1 21  ? 12.63200  -25.53400 5.00400   1.000 9.96033  ? 21  ARG A N   1 
ATOM   160  C CA  . ARG A 1 21  ? 12.19800  -26.67500 5.81100   1.000 10.64033 ? 21  ARG A CA  1 
ATOM   161  C C   . ARG A 1 21  ? 12.16600  -27.94600 4.98600   1.000 14.01033 ? 21  ARG A C   1 
ATOM   162  O O   . ARG A 1 21  ? 11.35000  -28.83100 5.23400   1.000 16.45033 ? 21  ARG A O   1 
ATOM   163  C CB  . ARG A 1 21  ? 10.81200  -26.43800 6.41400   1.000 13.96033 ? 21  ARG A CB  1 
ATOM   164  C CG  . ARG A 1 21  ? 10.73300  -25.36400 7.49900   1.000 21.08033 ? 21  ARG A CG  1 
ATOM   165  C CD  . ARG A 1 21  ? 11.40100  -25.80100 8.79400   1.000 22.90033 ? 21  ARG A CD  1 
ATOM   166  N NE  . ARG A 1 21  ? 10.45200  -26.32600 9.77100   1.000 30.97033 ? 21  ARG A NE  1 
ATOM   167  C CZ  . ARG A 1 21  ? 10.80900  -26.93100 10.89700  1.000 33.90033 ? 21  ARG A CZ  1 
ATOM   168  N NH1 . ARG A 1 21  ? 12.08300  -27.05200 11.23900  1.000 23.98033 ? 21  ARG A NH1 1 
ATOM   169  N NH2 . ARG A 1 21  ? 9.86800   -27.42700 11.69800  1.000 23.26033 ? 21  ARG A NH2 1 
ATOM   170  N N   . GLY A 1 22  ? 13.04300  -28.03500 3.99300   1.000 17.19033 ? 22  GLY A N   1 
ATOM   171  C CA  . GLY A 1 22  ? 13.14000  -29.22900 3.17400   1.000 10.42033 ? 22  GLY A CA  1 
ATOM   172  C C   . GLY A 1 22  ? 12.18600  -29.31600 1.99300   1.000 6.76033  ? 22  GLY A C   1 
ATOM   173  O O   . GLY A 1 22  ? 12.16300  -30.31600 1.26900   1.000 7.72033  ? 22  GLY A O   1 
ATOM   174  N N   . TYR A 1 23  ? 11.38500  -28.28100 1.77100   1.000 9.85033  ? 23  TYR A N   1 
ATOM   175  C CA  . TYR A 1 23  ? 10.45200  -28.36000 0.65500   1.000 8.59033  ? 23  TYR A CA  1 
ATOM   176  C C   . TYR A 1 23  ? 10.98600  -27.60900 -0.55300  1.000 8.58033  ? 23  TYR A C   1 
ATOM   177  O O   . TYR A 1 23  ? 11.09300  -26.37800 -0.54500  1.000 7.68033  ? 23  TYR A O   1 
ATOM   178  C CB  . TYR A 1 23  ? 9.07800   -27.83100 1.03300   1.000 5.62033  ? 23  TYR A CB  1 
ATOM   179  C CG  . TYR A 1 23  ? 8.36600   -28.64000 2.08100   1.000 2.84033  ? 23  TYR A CG  1 
ATOM   180  C CD1 . TYR A 1 23  ? 8.53900   -28.36400 3.43000   1.000 6.18033  ? 23  TYR A CD1 1 
ATOM   181  C CD2 . TYR A 1 23  ? 7.53500   -29.70000 1.72000   1.000 4.06033  ? 23  TYR A CD2 1 
ATOM   182  C CE1 . TYR A 1 23  ? 7.87000   -29.08700 4.39400   1.000 4.21033  ? 23  TYR A CE1 1 
ATOM   183  C CE2 . TYR A 1 23  ? 6.87000   -30.45200 2.68500   1.000 5.06033  ? 23  TYR A CE2 1 
ATOM   184  C CZ  . TYR A 1 23  ? 7.04100   -30.13900 4.01800   1.000 4.14033  ? 23  TYR A CZ  1 
ATOM   185  O OH  . TYR A 1 23  ? 6.38900   -30.85400 5.00300   1.000 2.86033  ? 23  TYR A OH  1 
ATOM   186  N N   . SER A 1 24  ? 11.32500  -28.37900 -1.58200  1.000 11.23033 ? 24  SER A N   1 
ATOM   187  C CA  . SER A 1 24  ? 11.86000  -27.84500 -2.81400  1.000 9.29033  ? 24  SER A CA  1 
ATOM   188  C C   . SER A 1 24  ? 10.85700  -26.86900 -3.39200  1.000 11.55033 ? 24  SER A C   1 
ATOM   189  O O   . SER A 1 24  ? 9.69100   -26.88100 -3.00800  1.000 6.20033  ? 24  SER A O   1 
ATOM   190  C CB  . SER A 1 24  ? 12.15300  -28.96700 -3.80000  1.000 9.89033  ? 24  SER A CB  1 
ATOM   191  O OG  . SER A 1 24  ? 10.94800  -29.61100 -4.19600  1.000 6.53033  ? 24  SER A OG  1 
ATOM   192  N N   . LEU A 1 25  ? 11.31000  -26.03500 -4.32100  1.000 8.07033  ? 25  LEU A N   1 
ATOM   193  C CA  . LEU A 1 25  ? 10.47800  -24.96100 -4.84800  1.000 7.93033  ? 25  LEU A CA  1 
ATOM   194  C C   . LEU A 1 25  ? 9.19900   -25.43600 -5.54400  1.000 6.20033  ? 25  LEU A C   1 
ATOM   195  O O   . LEU A 1 25  ? 8.14800   -24.82200 -5.38400  1.000 6.50033  ? 25  LEU A O   1 
ATOM   196  C CB  . LEU A 1 25  ? 11.30500  -24.09500 -5.80000  1.000 12.39033 ? 25  LEU A CB  1 
ATOM   197  C CG  . LEU A 1 25  ? 10.67600  -22.73700 -6.08000  1.000 13.60033 ? 25  LEU A CG  1 
ATOM   198  C CD1 . LEU A 1 25  ? 10.36000  -22.02000 -4.77200  1.000 10.24033 ? 25  LEU A CD1 1 
ATOM   199  C CD2 . LEU A 1 25  ? 11.66900  -21.93500 -6.85300  1.000 11.55033 ? 25  LEU A CD2 1 
ATOM   200  N N   . GLY A 1 26  ? 9.27200   -26.53100 -6.28700  1.000 7.35033  ? 26  GLY A N   1 
ATOM   201  C CA  . GLY A 1 26  ? 8.08800   -27.05300 -6.94800  1.000 4.79033  ? 26  GLY A CA  1 
ATOM   202  C C   . GLY A 1 26  ? 6.92300   -27.39500 -6.03500  1.000 5.71033  ? 26  GLY A C   1 
ATOM   203  O O   . GLY A 1 26  ? 5.76900   -27.39500 -6.48800  1.000 4.64033  ? 26  GLY A O   1 
ATOM   204  N N   . ASN A 1 27  ? 7.19900   -27.71300 -4.76900  1.000 6.53033  ? 27  ASN A N   1 
ATOM   205  C CA  . ASN A 1 27  ? 6.12700   -27.94800 -3.78900  1.000 5.46033  ? 27  ASN A CA  1 
ATOM   206  C C   . ASN A 1 27  ? 5.30400   -26.68600 -3.56400  1.000 4.56033  ? 27  ASN A C   1 
ATOM   207  O O   . ASN A 1 27  ? 4.06900   -26.71100 -3.50900  1.000 4.18033  ? 27  ASN A O   1 
ATOM   208  C CB  . ASN A 1 27  ? 6.68400   -28.43600 -2.44700  1.000 4.39033  ? 27  ASN A CB  1 
ATOM   209  C CG  . ASN A 1 27  ? 7.09000   -29.89900 -2.47400  1.000 6.31033  ? 27  ASN A CG  1 
ATOM   210  O OD1 . ASN A 1 27  ? 6.24400   -30.78800 -2.43500  1.000 5.19033  ? 27  ASN A OD1 1 
ATOM   211  N ND2 . ASN A 1 27  ? 8.38300   -30.15400 -2.50300  1.000 5.35033  ? 27  ASN A ND2 1 
ATOM   212  N N   . TRP A 1 28  ? 6.00900   -25.58100 -3.44800  1.000 4.11033  ? 28  TRP A N   1 
ATOM   213  C CA  . TRP A 1 28  ? 5.38800   -24.31100 -3.18700  1.000 4.76033  ? 28  TRP A CA  1 
ATOM   214  C C   . TRP A 1 28  ? 4.57600   -23.86400 -4.40500  1.000 4.43033  ? 28  TRP A C   1 
ATOM   215  O O   . TRP A 1 28  ? 3.48700   -23.30500 -4.27400  1.000 2.61033  ? 28  TRP A O   1 
ATOM   216  C CB  . TRP A 1 28  ? 6.47400   -23.30300 -2.81100  1.000 3.30033  ? 28  TRP A CB  1 
ATOM   217  C CG  . TRP A 1 28  ? 7.11900   -23.67400 -1.49600  1.000 5.54033  ? 28  TRP A CG  1 
ATOM   218  C CD1 . TRP A 1 28  ? 8.35300   -24.22600 -1.29600  1.000 4.61033  ? 28  TRP A CD1 1 
ATOM   219  C CD2 . TRP A 1 28  ? 6.54200   -23.51200 -0.20300  1.000 7.61033  ? 28  TRP A CD2 1 
ATOM   220  N NE1 . TRP A 1 28  ? 8.57600   -24.43300 0.05000   1.000 8.33033  ? 28  TRP A NE1 1 
ATOM   221  C CE2 . TRP A 1 28  ? 7.47900   -23.99300 0.74000   1.000 6.79033  ? 28  TRP A CE2 1 
ATOM   222  C CE3 . TRP A 1 28  ? 5.32000   -23.00300 0.25000   1.000 6.25033  ? 28  TRP A CE3 1 
ATOM   223  C CZ2 . TRP A 1 28  ? 7.22700   -23.97600 2.09900   1.000 10.18033 ? 28  TRP A CZ2 1 
ATOM   224  C CZ3 . TRP A 1 28  ? 5.07400   -22.98800 1.58300   1.000 6.67033  ? 28  TRP A CZ3 1 
ATOM   225  C CH2 . TRP A 1 28  ? 6.01500   -23.47800 2.50100   1.000 1.18033  ? 28  TRP A CH2 1 
ATOM   226  N N   . VAL A 1 29  ? 5.11300   -24.10600 -5.58700  1.000 3.61033  ? 29  VAL A N   1 
ATOM   227  C CA  . VAL A 1 29  ? 4.46100   -23.66400 -6.79100  1.000 4.60033  ? 29  VAL A CA  1 
ATOM   228  C C   . VAL A 1 29  ? 3.22900   -24.51600 -7.01300  1.000 3.44033  ? 29  VAL A C   1 
ATOM   229  O O   . VAL A 1 29  ? 2.17700   -24.00300 -7.36800  1.000 3.41033  ? 29  VAL A O   1 
ATOM   230  C CB  . VAL A 1 29  ? 5.40200   -23.72800 -7.98400  1.000 3.17033  ? 29  VAL A CB  1 
ATOM   231  C CG1 . VAL A 1 29  ? 4.63300   -23.48600 -9.27200  1.000 11.03033 ? 29  VAL A CG1 1 
ATOM   232  C CG2 . VAL A 1 29  ? 6.54400   -22.72500 -7.81500  1.000 4.43033  ? 29  VAL A CG2 1 
ATOM   233  N N   . CYS A 1 30  ? 3.35700   -25.81700 -6.77600  1.000 3.21033  ? 30  CYS A N   1 
ATOM   234  C CA  . CYS A 1 30  ? 2.23000   -26.74100 -6.91600  1.000 2.07033  ? 30  CYS A CA  1 
ATOM   235  C C   . CYS A 1 30  ? 1.10700   -26.39500 -5.94400  1.000 2.39033  ? 30  CYS A C   1 
ATOM   236  O O   . CYS A 1 30  ? -0.06200  -26.42100 -6.29700  1.000 3.64033  ? 30  CYS A O   1 
ATOM   237  C CB  . CYS A 1 30  ? 2.70800   -28.18100 -6.68400  1.000 2.77033  ? 30  CYS A CB  1 
ATOM   238  S SG  . CYS A 1 30  ? 1.44600   -29.44600 -6.87600  1.000 6.77033  ? 30  CYS A SG  1 
ATOM   239  N N   . ALA A 1 31  ? 1.46500   -26.07400 -4.70300  1.000 4.14033  ? 31  ALA A N   1 
ATOM   240  C CA  . ALA A 1 31  ? 0.45100   -25.71700 -3.72200  1.000 5.13033  ? 31  ALA A CA  1 
ATOM   241  C C   . ALA A 1 31  ? -0.27300  -24.45100 -4.14700  1.000 4.64033  ? 31  ALA A C   1 
ATOM   242  O O   . ALA A 1 31  ? -1.47600  -24.34800 -3.97200  1.000 3.56033  ? 31  ALA A O   1 
ATOM   243  C CB  . ALA A 1 31  ? 1.06100   -25.52700 -2.33500  1.000 3.63033  ? 31  ALA A CB  1 
ATOM   244  N N   . ALA A 1 32  ? 0.45300   -23.49100 -4.70100  1.000 4.73033  ? 32  ALA A N   1 
ATOM   245  C CA  . ALA A 1 32  ? -0.18100  -22.25000 -5.11200  1.000 5.54033  ? 32  ALA A CA  1 
ATOM   246  C C   . ALA A 1 32  ? -1.11900  -22.50100 -6.27800  1.000 3.87033  ? 32  ALA A C   1 
ATOM   247  O O   . ALA A 1 32  ? -2.21000  -21.92400 -6.32600  1.000 4.67033  ? 32  ALA A O   1 
ATOM   248  C CB  . ALA A 1 32  ? 0.84700   -21.20200 -5.48300  1.000 1.41033  ? 32  ALA A CB  1 
ATOM   249  N N   . LYS A 1 33  ? -0.72200  -23.37300 -7.20200  1.000 2.32033  ? 33  LYS A N   1 
ATOM   250  C CA  . LYS A 1 33  ? -1.55700  -23.61000 -8.36900  1.000 3.91033  ? 33  LYS A CA  1 
ATOM   251  C C   . LYS A 1 33  ? -2.89500  -24.17600 -7.95500  1.000 5.94033  ? 33  LYS A C   1 
ATOM   252  O O   . LYS A 1 33  ? -3.94400  -23.72600 -8.42100  1.000 6.12033  ? 33  LYS A O   1 
ATOM   253  C CB  . LYS A 1 33  ? -0.88100  -24.53700 -9.38200  1.000 4.58033  ? 33  LYS A CB  1 
ATOM   254  C CG  . LYS A 1 33  ? -1.88500  -25.13200 -10.36400 1.000 7.76033  ? 33  LYS A CG  1 
ATOM   255  C CD  . LYS A 1 33  ? -2.12700  -24.20000 -11.54600 1.000 11.42033 ? 33  LYS A CD  1 
ATOM   256  C CE  . LYS A 1 33  ? -3.16100  -24.79200 -12.51500 1.000 18.55033 ? 33  LYS A CE  1 
ATOM   257  N NZ  . LYS A 1 33  ? -3.72200  -23.75800 -13.43800 1.000 15.58033 ? 33  LYS A NZ  1 
ATOM   258  N N   . PHE A 1 34  ? -2.88500  -25.12300 -7.03300  1.000 6.33033  ? 34  PHE A N   1 
ATOM   259  C CA  . PHE A 1 34  ? -4.12900  -25.77800 -6.72200  1.000 7.78033  ? 34  PHE A CA  1 
ATOM   260  C C   . PHE A 1 34  ? -4.89900  -25.03300 -5.65000  1.000 9.21033  ? 34  PHE A C   1 
ATOM   261  O O   . PHE A 1 34  ? -6.11400  -25.15900 -5.56900  1.000 12.39033 ? 34  PHE A O   1 
ATOM   262  C CB  . PHE A 1 34  ? -3.86900  -27.23900 -6.36100  1.000 8.80033  ? 34  PHE A CB  1 
ATOM   263  C CG  . PHE A 1 34  ? -3.36100  -28.02700 -7.52900  1.000 8.24033  ? 34  PHE A CG  1 
ATOM   264  C CD1 . PHE A 1 34  ? -4.02300  -27.94600 -8.75200  1.000 11.59033 ? 34  PHE A CD1 1 
ATOM   265  C CD2 . PHE A 1 34  ? -2.24400  -28.81600 -7.43100  1.000 7.38033  ? 34  PHE A CD2 1 
ATOM   266  C CE1 . PHE A 1 34  ? -3.56500  -28.64000 -9.86600  1.000 4.62033  ? 34  PHE A CE1 1 
ATOM   267  C CE2 . PHE A 1 34  ? -1.77200  -29.52800 -8.54200  1.000 15.08033 ? 34  PHE A CE2 1 
ATOM   268  C CZ  . PHE A 1 34  ? -2.44100  -29.44200 -9.76100  1.000 9.71033  ? 34  PHE A CZ  1 
ATOM   269  N N   . GLU A 1 35  ? -4.21600  -24.19700 -4.88400  1.000 4.13033  ? 35  GLU A N   1 
ATOM   270  C CA  . GLU A 1 35  ? -4.89700  -23.46300 -3.84400  1.000 7.97033  ? 35  GLU A CA  1 
ATOM   271  C C   . GLU A 1 35  ? -5.61300  -22.25400 -4.42300  1.000 5.23033  ? 35  GLU A C   1 
ATOM   272  O O   . GLU A 1 35  ? -6.72600  -21.95400 -4.02600  1.000 7.00033  ? 35  GLU A O   1 
ATOM   273  C CB  . GLU A 1 35  ? -3.92000  -23.01500 -2.74800  1.000 7.04033  ? 35  GLU A CB  1 
ATOM   274  C CG  . GLU A 1 35  ? -3.47300  -24.11000 -1.75500  1.000 4.70033  ? 35  GLU A CG  1 
ATOM   275  C CD  . GLU A 1 35  ? -4.59300  -24.70100 -0.90500  1.000 6.74033  ? 35  GLU A CD  1 
ATOM   276  O OE1 . GLU A 1 35  ? -5.68700  -24.09500 -0.79900  1.000 6.64033  ? 35  GLU A OE1 1 
ATOM   277  O OE2 . GLU A 1 35  ? -4.36400  -25.79100 -0.34900  1.000 8.74033  ? 35  GLU A OE2 1 
ATOM   278  N N   . SER A 1 36  ? -4.97100  -21.56300 -5.36200  1.000 6.28033  ? 36  SER A N   1 
ATOM   279  C CA  . SER A 1 36  ? -5.42700  -20.24100 -5.78200  1.000 4.52033  ? 36  SER A CA  1 
ATOM   280  C C   . SER A 1 36  ? -5.42300  -20.01400 -7.29400  1.000 4.46033  ? 36  SER A C   1 
ATOM   281  O O   . SER A 1 36  ? -5.86200  -18.95600 -7.75400  1.000 9.93033  ? 36  SER A O   1 
ATOM   282  C CB  . SER A 1 36  ? -4.55000  -19.17200 -5.13700  1.000 6.99033  ? 36  SER A CB  1 
ATOM   283  O OG  . SER A 1 36  ? -3.24600  -19.16800 -5.70200  1.000 5.34033  ? 36  SER A OG  1 
ATOM   284  N N   . ASN A 1 37  ? -4.92500  -20.99500 -8.04500  1.000 5.85033  ? 37  ASN A N   1 
ATOM   285  C CA  . ASN A 1 37  ? -4.63800  -20.83300 -9.47300  1.000 10.60033 ? 37  ASN A CA  1 
ATOM   286  C C   . ASN A 1 37  ? -3.70200  -19.67000 -9.74600  1.000 7.88033  ? 37  ASN A C   1 
ATOM   287  O O   . ASN A 1 37  ? -3.83100  -18.99900 -10.76100 1.000 8.93033  ? 37  ASN A O   1 
ATOM   288  C CB  . ASN A 1 37  ? -5.91900  -20.65400 -10.28100 1.000 10.86033 ? 37  ASN A CB  1 
ATOM   289  C CG  . ASN A 1 37  ? -5.79700  -21.20000 -11.68700 1.000 18.57033 ? 37  ASN A CG  1 
ATOM   290  O OD1 . ASN A 1 37  ? -5.09100  -22.18500 -11.93100 1.000 13.09033 ? 37  ASN A OD1 1 
ATOM   291  N ND2 . ASN A 1 37  ? -6.48000  -20.55800 -12.62700 1.000 24.23033 ? 37  ASN A ND2 1 
ATOM   292  N N   . PHE A 1 38  ? -2.76600  -19.45300 -8.82700  1.000 8.11033  ? 38  PHE A N   1 
ATOM   293  C CA  . PHE A 1 38  ? -1.74100  -18.42100 -8.94900  1.000 7.31033  ? 38  PHE A CA  1 
ATOM   294  C C   . PHE A 1 38  ? -2.33800  -17.01700 -8.81900  1.000 5.36033  ? 38  PHE A C   1 
ATOM   295  O O   . PHE A 1 38  ? -1.67500  -16.02500 -9.14600  1.000 14.39033 ? 38  PHE A O   1 
ATOM   296  C CB  . PHE A 1 38  ? -0.99800  -18.54100 -10.29000 1.000 3.86033  ? 38  PHE A CB  1 
ATOM   297  C CG  . PHE A 1 38  ? -0.22800  -19.83200 -10.46900 1.000 2.80033  ? 38  PHE A CG  1 
ATOM   298  C CD1 . PHE A 1 38  ? 0.32600   -20.48800 -9.38700  1.000 5.69033  ? 38  PHE A CD1 1 
ATOM   299  C CD2 . PHE A 1 38  ? -0.04900  -20.37300 -11.72400 1.000 4.98033  ? 38  PHE A CD2 1 
ATOM   300  C CE1 . PHE A 1 38  ? 1.05800   -21.65400 -9.56400  1.000 3.36033  ? 38  PHE A CE1 1 
ATOM   301  C CE2 . PHE A 1 38  ? 0.67700   -21.55000 -11.89700 1.000 6.76033  ? 38  PHE A CE2 1 
ATOM   302  C CZ  . PHE A 1 38  ? 1.22000   -22.18100 -10.81200 1.000 5.50033  ? 38  PHE A CZ  1 
ATOM   303  N N   . ASN A 1 39  ? -3.57300  -16.93600 -8.32100  1.000 3.16033  ? 39  ASN A N   1 
ATOM   304  C CA  . ASN A 1 39  ? -4.28600  -15.65400 -8.18300  1.000 6.33033  ? 39  ASN A CA  1 
ATOM   305  C C   . ASN A 1 39  ? -4.12100  -15.08000 -6.78900  1.000 5.71033  ? 39  ASN A C   1 
ATOM   306  O O   . ASN A 1 39  ? -4.63400  -15.63600 -5.82500  1.000 4.05033  ? 39  ASN A O   1 
ATOM   307  C CB  . ASN A 1 39  ? -5.78000  -15.84600 -8.48500  1.000 3.69033  ? 39  ASN A CB  1 
ATOM   308  C CG  . ASN A 1 39  ? -6.57800  -14.53900 -8.46400  1.000 7.09033  ? 39  ASN A CG  1 
ATOM   309  O OD1 . ASN A 1 39  ? -6.04100  -13.45700 -8.24900  1.000 4.77033  ? 39  ASN A OD1 1 
ATOM   310  N ND2 . ASN A 1 39  ? -7.87700  -14.64900 -8.73000  1.000 10.17033 ? 39  ASN A ND2 1 
ATOM   311  N N   . THR A 1 40  ? -3.44700  -13.93700 -6.66300  1.000 5.31033  ? 40  THR A N   1 
ATOM   312  C CA  . THR A 1 40  ? -3.19700  -13.41600 -5.33400  1.000 4.01033  ? 40  THR A CA  1 
ATOM   313  C C   . THR A 1 40  ? -4.49800  -12.97600 -4.68500  1.000 4.12033  ? 40  THR A C   1 
ATOM   314  O O   . THR A 1 40  ? -4.53300  -12.78100 -3.48900  1.000 3.92033  ? 40  THR A O   1 
ATOM   315  C CB  . THR A 1 40  ? -2.21600  -12.21700 -5.33700  1.000 9.01033  ? 40  THR A CB  1 
ATOM   316  O OG1 . THR A 1 40  ? -2.83200  -11.08400 -5.96300  1.000 5.60033  ? 40  THR A OG1 1 
ATOM   317  C CG2 . THR A 1 40  ? -0.95300  -12.58600 -6.09100  1.000 8.43033  ? 40  THR A CG2 1 
ATOM   318  N N   . GLN A 1 41  ? -5.57400  -12.84800 -5.46200  1.000 4.74033  ? 41  GLN A N   1 
ATOM   319  C CA  . GLN A 1 41  ? -6.80300  -12.26200 -4.92600  1.000 4.42033  ? 41  GLN A CA  1 
ATOM   320  C C   . GLN A 1 41  ? -7.84600  -13.30500 -4.53200  1.000 7.05033  ? 41  GLN A C   1 
ATOM   321  O O   . GLN A 1 41  ? -8.92600  -12.97100 -4.07400  1.000 7.89033  ? 41  GLN A O   1 
ATOM   322  C CB  . GLN A 1 41  ? -7.38600  -11.27700 -5.94300  1.000 3.85033  ? 41  GLN A CB  1 
ATOM   323  C CG  . GLN A 1 41  ? -6.52200  -10.02800 -6.08900  1.000 10.60033 ? 41  GLN A CG  1 
ATOM   324  C CD  . GLN A 1 41  ? -7.20900  -8.94100  -6.87700  1.000 11.97033 ? 41  GLN A CD  1 
ATOM   325  O OE1 . GLN A 1 41  ? -7.07400  -8.86000  -8.10100  1.000 11.24033 ? 41  GLN A OE1 1 
ATOM   326  N NE2 . GLN A 1 41  ? -8.00400  -8.13400  -6.19500  1.000 6.92033  ? 41  GLN A NE2 1 
ATOM   327  N N   . ALA A 1 42  ? -7.50100  -14.57600 -4.69400  1.000 3.39033  ? 42  ALA A N   1 
ATOM   328  C CA  . ALA A 1 42  ? -8.38400  -15.65300 -4.26800  1.000 7.69033  ? 42  ALA A CA  1 
ATOM   329  C C   . ALA A 1 42  ? -8.80100  -15.55600 -2.79700  1.000 4.83033  ? 42  ALA A C   1 
ATOM   330  O O   . ALA A 1 42  ? -7.97300  -15.47200 -1.88200  1.000 4.16033  ? 42  ALA A O   1 
ATOM   331  C CB  . ALA A 1 42  ? -7.72400  -16.98900 -4.52500  1.000 4.08033  ? 42  ALA A CB  1 
ATOM   332  N N   . THR A 1 43  ? -10.10800 -15.59100 -2.58400  1.000 8.12033  ? 43  THR A N   1 
ATOM   333  C CA  . THR A 1 43  ? -10.64700 -15.81100 -1.25400  1.000 5.59033  ? 43  THR A CA  1 
ATOM   334  C C   . THR A 1 43  ? -11.59100 -17.00300 -1.29400  1.000 7.44033  ? 43  THR A C   1 
ATOM   335  O O   . THR A 1 43  ? -12.24100 -17.25800 -2.31100  1.000 6.73033  ? 43  THR A O   1 
ATOM   336  C CB  . THR A 1 43  ? -11.38300 -14.57000 -0.73300  1.000 5.11033  ? 43  THR A CB  1 
ATOM   337  O OG1 . THR A 1 43  ? -12.39600 -14.19100 -1.66800  1.000 3.40033  ? 43  THR A OG1 1 
ATOM   338  C CG2 . THR A 1 43  ? -10.40800 -13.40800 -0.57700  1.000 3.31033  ? 43  THR A CG2 1 
ATOM   339  N N   . ASN A 1 44  ? -11.66100 -17.74600 -0.19500  1.000 5.66033  ? 44  ASN A N   1 
ATOM   340  C CA  . ASN A 1 44  ? -12.68300 -18.81000 -0.05300  1.000 8.25033  ? 44  ASN A CA  1 
ATOM   341  C C   . ASN A 1 44  ? -13.15300 -18.95100 1.38500   1.000 4.21033  ? 44  ASN A C   1 
ATOM   342  O O   . ASN A 1 44  ? -12.35100 -18.93700 2.31100   1.000 6.28033  ? 44  ASN A O   1 
ATOM   343  C CB  . ASN A 1 44  ? -12.16100 -20.15000 -0.54400  1.000 7.85033  ? 44  ASN A CB  1 
ATOM   344  C CG  . ASN A 1 44  ? -12.00400 -20.19300 -2.05000  1.000 7.54033  ? 44  ASN A CG  1 
ATOM   345  O OD1 . ASN A 1 44  ? -12.98500 -20.35200 -2.77800  1.000 5.04033  ? 44  ASN A OD1 1 
ATOM   346  N ND2 . ASN A 1 44  ? -10.76700 -20.05700 -2.52700  1.000 15.50033 ? 44  ASN A ND2 1 
ATOM   347  N N   . ARG A 1 45  ? -14.46400 -19.08900 1.53600   1.000 7.04033  ? 45  ARG A N   1 
ATOM   348  C CA  . ARG A 1 45  ? -15.08600 -19.17100 2.84400   1.000 6.97033  ? 45  ARG A CA  1 
ATOM   349  C C   . ARG A 1 45  ? -15.12500 -20.61800 3.27000   1.000 12.40033 ? 45  ARG A C   1 
ATOM   350  O O   . ARG A 1 45  ? -15.51500 -21.49100 2.49900   1.000 14.93033 ? 45  ARG A O   1 
ATOM   351  C CB  . ARG A 1 45  ? -16.50400 -18.59100 2.80300   1.000 6.03033  ? 45  ARG A CB  1 
ATOM   352  C CG  . ARG A 1 45  ? -17.05000 -18.19200 4.15800   1.000 7.93033  ? 45  ARG A CG  1 
ATOM   353  C CD  . ARG A 1 45  ? -16.68900 -16.75800 4.49700   1.000 14.42033 ? 45  ARG A CD  1 
ATOM   354  N NE  . ARG A 1 45  ? -16.81900 -16.51300 5.92700   1.000 18.97033 ? 45  ARG A NE  1 
ATOM   355  C CZ  . ARG A 1 45  ? -17.77200 -15.76000 6.46300   1.000 18.34033 ? 45  ARG A CZ  1 
ATOM   356  N NH1 . ARG A 1 45  ? -18.65400 -15.12900 5.69700   1.000 21.79033 ? 45  ARG A NH1 1 
ATOM   357  N NH2 . ARG A 1 45  ? -17.82100 -15.58600 7.77600   1.000 19.62033 ? 45  ARG A NH2 1 
ATOM   358  N N   . ASN A 1 46  ? -14.75900 -20.87800 4.51700   1.000 13.43033 ? 46  ASN A N   1 
ATOM   359  C CA  . ASN A 1 46  ? -14.91500 -22.21600 5.05400   1.000 12.77033 ? 46  ASN A CA  1 
ATOM   360  C C   . ASN A 1 46  ? -16.22100 -22.32600 5.79100   1.000 10.40033 ? 46  ASN A C   1 
ATOM   361  O O   . ASN A 1 46  ? -16.74200 -21.34800 6.33900   1.000 14.85033 ? 46  ASN A O   1 
ATOM   362  C CB  . ASN A 1 46  ? -13.75700 -22.58000 5.97800   1.000 13.78033 ? 46  ASN A CB  1 
ATOM   363  C CG  . ASN A 1 46  ? -12.43000 -22.50600 5.27100   1.000 10.64033 ? 46  ASN A CG  1 
ATOM   364  O OD1 . ASN A 1 46  ? -11.48900 -21.86000 5.73400   1.000 13.15033 ? 46  ASN A OD1 1 
ATOM   365  N ND2 . ASN A 1 46  ? -12.35800 -23.14500 4.12000   1.000 12.87033 ? 46  ASN A ND2 1 
ATOM   366  N N   . THR A 1 47  ? -16.75200 -23.53700 5.78700   1.000 16.86033 ? 47  THR A N   1 
ATOM   367  C CA  . THR A 1 47  ? -17.95200 -23.86800 6.53400   1.000 12.04033 ? 47  THR A CA  1 
ATOM   368  C C   . THR A 1 47  ? -17.93600 -23.37000 7.99700   1.000 17.71033 ? 47  THR A C   1 
ATOM   369  O O   . THR A 1 47  ? -18.99500 -23.06600 8.55800   1.000 14.70033 ? 47  THR A O   1 
ATOM   370  C CB  . THR A 1 47  ? -18.17500 -25.39400 6.48200   1.000 23.39033 ? 47  THR A CB  1 
ATOM   371  O OG1 . THR A 1 47  ? -17.40600 -26.04100 7.50500   1.000 10.71033 ? 47  THR A OG1 1 
ATOM   372  C CG2 . THR A 1 47  ? -17.76200 -25.94200 5.12500   1.000 24.36033 ? 47  THR A CG2 1 
ATOM   373  N N   . ASP A 1 48  ? -16.75400 -23.24900 8.60500   1.000 12.95033 ? 48  ASP A N   1 
ATOM   374  C CA  . ASP A 1 48  ? -16.68300 -22.78500 9.99100   1.000 15.33033 ? 48  ASP A CA  1 
ATOM   375  C C   . ASP A 1 48  ? -16.70300 -21.25900 10.06300  1.000 13.94033 ? 48  ASP A C   1 
ATOM   376  O O   . ASP A 1 48  ? -16.66300 -20.68000 11.14700  1.000 20.29033 ? 48  ASP A O   1 
ATOM   377  C CB  . ASP A 1 48  ? -15.44300 -23.34500 10.71000  1.000 19.88033 ? 48  ASP A CB  1 
ATOM   378  C CG  . ASP A 1 48  ? -14.13600 -22.67100 10.29500  1.000 16.87033 ? 48  ASP A CG  1 
ATOM   379  O OD1 . ASP A 1 48  ? -14.08300 -21.92700 9.30100   1.000 13.20033 ? 48  ASP A OD1 1 
ATOM   380  O OD2 . ASP A 1 48  ? -13.13800 -22.88000 11.00400  1.000 19.79033 ? 48  ASP A OD2 1 
ATOM   381  N N   . GLY A 1 49  ? -16.76000 -20.61100 8.90700   1.000 8.34033  ? 49  GLY A N   1 
ATOM   382  C CA  . GLY A 1 49  ? -16.90800 -19.16400 8.87600   1.000 8.35033  ? 49  GLY A CA  1 
ATOM   383  C C   . GLY A 1 49  ? -15.59500 -18.41000 8.83900   1.000 14.81033 ? 49  GLY A C   1 
ATOM   384  O O   . GLY A 1 49  ? -15.55800 -17.16800 8.79700   1.000 9.34033  ? 49  GLY A O   1 
ATOM   385  N N   . SER A 1 50  ? -14.50000 -19.15800 8.89000   1.000 12.74033 ? 50  SER A N   1 
ATOM   386  C CA  . SER A 1 50  ? -13.20600 -18.57900 8.58900   1.000 9.76033  ? 50  SER A CA  1 
ATOM   387  C C   . SER A 1 50  ? -13.08400 -18.45400 7.06400   1.000 9.49033  ? 50  SER A C   1 
ATOM   388  O O   . SER A 1 50  ? -13.88500 -19.03100 6.33700   1.000 8.21033  ? 50  SER A O   1 
ATOM   389  C CB  . SER A 1 50  ? -12.09000 -19.43300 9.18600   1.000 9.93033  ? 50  SER A CB  1 
ATOM   390  O OG  . SER A 1 50  ? -12.07900 -20.71700 8.59400   1.000 10.48033 ? 50  SER A OG  1 
ATOM   391  N N   . THR A 1 51  ? -12.10100 -17.68200 6.59600   1.000 5.47033  ? 51  THR A N   1 
ATOM   392  C CA  . THR A 1 51  ? -11.89400 -17.44900 5.17100   1.000 7.88033  ? 51  THR A CA  1 
ATOM   393  C C   . THR A 1 51  ? -10.42300 -17.69900 4.82300   1.000 7.12033  ? 51  THR A C   1 
ATOM   394  O O   . THR A 1 51  ? -9.53100  -17.38100 5.61700   1.000 4.82033  ? 51  THR A O   1 
ATOM   395  C CB  . THR A 1 51  ? -12.29600 -16.01100 4.78800   1.000 7.85033  ? 51  THR A CB  1 
ATOM   396  O OG1 . THR A 1 51  ? -13.68500 -15.81100 5.08100   1.000 5.79033  ? 51  THR A OG1 1 
ATOM   397  C CG2 . THR A 1 51  ? -12.03600 -15.74000 3.30900   1.000 5.43033  ? 51  THR A CG2 1 
ATOM   398  N N   . ASP A 1 52  ? -10.16900 -18.29700 3.66300   1.000 5.52033  ? 52  ASP A N   1 
ATOM   399  C CA  . ASP A 1 52  ? -8.80600  -18.52000 3.18300   1.000 6.96033  ? 52  ASP A CA  1 
ATOM   400  C C   . ASP A 1 52  ? -8.41300  -17.37300 2.26200   1.000 3.94033  ? 52  ASP A C   1 
ATOM   401  O O   . ASP A 1 52  ? -9.21600  -16.94000 1.44700   1.000 6.16033  ? 52  ASP A O   1 
ATOM   402  C CB  . ASP A 1 52  ? -8.70600  -19.86800 2.46400   1.000 4.90033  ? 52  ASP A CB  1 
ATOM   403  C CG  . ASP A 1 52  ? -8.99600  -21.03600 3.38500   1.000 8.03033  ? 52  ASP A CG  1 
ATOM   404  O OD1 . ASP A 1 52  ? -8.82800  -20.89300 4.60700   1.000 12.22033 ? 52  ASP A OD1 1 
ATOM   405  O OD2 . ASP A 1 52  ? -9.40600  -22.10100 2.90500   1.000 17.00033 ? 52  ASP A OD2 1 
ATOM   406  N N   . TYR A 1 53  ? -7.18600  -16.87600 2.39300   1.000 5.33033  ? 53  TYR A N   1 
ATOM   407  C CA  . TYR A 1 53  ? -6.76900  -15.69300 1.63400   1.000 5.12033  ? 53  TYR A CA  1 
ATOM   408  C C   . TYR A 1 53  ? -5.51200  -15.86000 0.78900   1.000 7.52033  ? 53  TYR A C   1 
ATOM   409  O O   . TYR A 1 53  ? -4.47500  -16.35600 1.25500   1.000 3.24033  ? 53  TYR A O   1 
ATOM   410  C CB  . TYR A 1 53  ? -6.56600  -14.49400 2.56900   1.000 8.75033  ? 53  TYR A CB  1 
ATOM   411  C CG  . TYR A 1 53  ? -7.82900  -14.02000 3.24100   1.000 6.19033  ? 53  TYR A CG  1 
ATOM   412  C CD1 . TYR A 1 53  ? -8.26200  -14.59600 4.42700   1.000 5.62033  ? 53  TYR A CD1 1 
ATOM   413  C CD2 . TYR A 1 53  ? -8.61600  -13.01000 2.66700   1.000 5.37033  ? 53  TYR A CD2 1 
ATOM   414  C CE1 . TYR A 1 53  ? -9.41500  -14.16200 5.04100   1.000 6.20033  ? 53  TYR A CE1 1 
ATOM   415  C CE2 . TYR A 1 53  ? -9.78100  -12.56800 3.29000   1.000 4.46033  ? 53  TYR A CE2 1 
ATOM   416  C CZ  . TYR A 1 53  ? -10.17400 -13.15700 4.46300   1.000 4.57033  ? 53  TYR A CZ  1 
ATOM   417  O OH  . TYR A 1 53  ? -11.31800 -12.75100 5.09900   1.000 6.41033  ? 53  TYR A OH  1 
ATOM   418  N N   . GLY A 1 54  ? -5.62100  -15.43100 -0.46300  1.000 2.53033  ? 54  GLY A N   1 
ATOM   419  C CA  . GLY A 1 54  ? -4.46300  -15.21300 -1.30000  1.000 6.16033  ? 54  GLY A CA  1 
ATOM   420  C C   . GLY A 1 54  ? -3.90400  -16.43000 -1.99100  1.000 3.32033  ? 54  GLY A C   1 
ATOM   421  O O   . GLY A 1 54  ? -4.53500  -17.48200 -2.08600  1.000 3.97033  ? 54  GLY A O   1 
ATOM   422  N N   . ILE A 1 55  ? -2.67400  -16.25300 -2.44900  1.000 3.46033  ? 55  ILE A N   1 
ATOM   423  C CA  . ILE A 1 55  ? -1.94900  -17.18700 -3.29300  1.000 6.79033  ? 55  ILE A CA  1 
ATOM   424  C C   . ILE A 1 55  ? -1.79200  -18.55700 -2.64500  1.000 2.71033  ? 55  ILE A C   1 
ATOM   425  O O   . ILE A 1 55  ? -1.81100  -19.59200 -3.34300  1.000 3.08033  ? 55  ILE A O   1 
ATOM   426  C CB  . ILE A 1 55  ? -0.57400  -16.56800 -3.68000  1.000 5.28033  ? 55  ILE A CB  1 
ATOM   427  C CG1 . ILE A 1 55  ? 0.03700   -17.32700 -4.84900  1.000 11.63033 ? 55  ILE A CG1 1 
ATOM   428  C CG2 . ILE A 1 55  ? 0.35300   -16.43200 -2.47400  1.000 4.32033  ? 55  ILE A CG2 1 
ATOM   429  C CD1 . ILE A 1 55  ? 0.69600   -16.43400 -5.87100  1.000 13.83033 ? 55  ILE A CD1 1 
ATOM   430  N N   . LEU A 1 56  ? -1.67900  -18.55500 -1.31600  1.000 6.22033  ? 56  LEU A N   1 
ATOM   431  C CA  . LEU A 1 56  ? -1.47900  -19.76500 -0.53200  1.000 4.73033  ? 56  LEU A CA  1 
ATOM   432  C C   . LEU A 1 56  ? -2.64400  -20.05100 0.40800   1.000 4.94033  ? 56  LEU A C   1 
ATOM   433  O O   . LEU A 1 56  ? -2.52900  -20.86600 1.31400   1.000 6.04033  ? 56  LEU A O   1 
ATOM   434  C CB  . LEU A 1 56  ? -0.17700  -19.69100 0.26200   1.000 2.75033  ? 56  LEU A CB  1 
ATOM   435  C CG  . LEU A 1 56  ? 1.04200   -19.93000 -0.60600  1.000 5.92033  ? 56  LEU A CG  1 
ATOM   436  C CD1 . LEU A 1 56  ? 2.35200   -19.73900 0.18700   1.000 4.90033  ? 56  LEU A CD1 1 
ATOM   437  C CD2 . LEU A 1 56  ? 0.84900   -21.32100 -1.11000  1.000 7.41033  ? 56  LEU A CD2 1 
ATOM   438  N N   . GLN A 1 57  ? -3.76900  -19.39300 0.15800   1.000 4.74033  ? 57  GLN A N   1 
ATOM   439  C CA  . GLN A 1 57  ? -5.02800  -19.67400 0.84600   1.000 5.59033  ? 57  GLN A CA  1 
ATOM   440  C C   . GLN A 1 57  ? -4.88000  -19.79800 2.36100   1.000 6.81033  ? 57  GLN A C   1 
ATOM   441  O O   . GLN A 1 57  ? -5.30300  -20.76900 2.98900   1.000 3.72033  ? 57  GLN A O   1 
ATOM   442  C CB  . GLN A 1 57  ? -5.66300  -20.91900 0.24100   1.000 4.82033  ? 57  GLN A CB  1 
ATOM   443  C CG  . GLN A 1 57  ? -6.21500  -20.61000 -1.14300  1.000 2.65033  ? 57  GLN A CG  1 
ATOM   444  C CD  . GLN A 1 57  ? -7.41200  -19.64900 -1.05700  1.000 3.75033  ? 57  GLN A CD  1 
ATOM   445  O OE1 . GLN A 1 57  ? -8.55900  -20.08900 -0.92600  1.000 8.48033  ? 57  GLN A OE1 1 
ATOM   446  N NE2 . GLN A 1 57  ? -7.14300  -18.34100 -1.09100  1.000 5.60033  ? 57  GLN A NE2 1 
ATOM   447  N N   . ILE A 1 58  ? -4.28000  -18.76500 2.93100   1.000 7.90033  ? 58  ILE A N   1 
ATOM   448  C CA  . ILE A 1 58  ? -3.94700  -18.76000 4.34300   1.000 5.83033  ? 58  ILE A CA  1 
ATOM   449  C C   . ILE A 1 58  ? -5.21300  -18.47800 5.12500   1.000 8.28033  ? 58  ILE A C   1 
ATOM   450  O O   . ILE A 1 58  ? -5.94900  -17.54600 4.80800   1.000 3.83033  ? 58  ILE A O   1 
ATOM   451  C CB  . ILE A 1 58  ? -2.86200  -17.74400 4.63600   1.000 5.81033  ? 58  ILE A CB  1 
ATOM   452  C CG1 . ILE A 1 58  ? -1.54200  -18.20600 4.01900   1.000 6.77033  ? 58  ILE A CG1 1 
ATOM   453  C CG2 . ILE A 1 58  ? -2.69900  -17.59100 6.12500   1.000 10.91033 ? 58  ILE A CG2 1 
ATOM   454  C CD1 . ILE A 1 58  ? -0.49400  -17.12700 4.08100   1.000 8.12033  ? 58  ILE A CD1 1 
ATOM   455  N N   . ASN A 1 59  ? -5.42800  -19.27300 6.16800   1.000 4.69033  ? 59  ASN A N   1 
ATOM   456  C CA  . ASN A 1 59  ? -6.71000  -19.37200 6.83100   1.000 5.33033  ? 59  ASN A CA  1 
ATOM   457  C C   . ASN A 1 59  ? -6.85800  -18.36900 7.99600   1.000 6.57033  ? 59  ASN A C   1 
ATOM   458  O O   . ASN A 1 59  ? -5.98100  -18.25100 8.85000   1.000 9.14033  ? 59  ASN A O   1 
ATOM   459  C CB  . ASN A 1 59  ? -6.89000  -20.81400 7.30900   1.000 10.66033 ? 59  ASN A CB  1 
ATOM   460  C CG  . ASN A 1 59  ? -8.17000  -21.01400 8.04000   1.000 16.00033 ? 59  ASN A CG  1 
ATOM   461  O OD1 . ASN A 1 59  ? -8.21200  -20.90700 9.25100   1.000 20.25033 ? 59  ASN A OD1 1 
ATOM   462  N ND2 . ASN A 1 59  ? -9.24100  -21.26900 7.30600   1.000 14.87033 ? 59  ASN A ND2 1 
ATOM   463  N N   . SER A 1 60  ? -7.97800  -17.64800 8.02100   1.000 5.35033  ? 60  SER A N   1 
ATOM   464  C CA  . SER A 1 60  ? -8.18000  -16.57100 8.98800   1.000 7.17033  ? 60  SER A CA  1 
ATOM   465  C C   . SER A 1 60  ? -8.42100  -17.08900 10.41700  1.000 13.35033 ? 60  SER A C   1 
ATOM   466  O O   . SER A 1 60  ? -8.35800  -16.32400 11.37700  1.000 11.62033 ? 60  SER A O   1 
ATOM   467  C CB  . SER A 1 60  ? -9.34900  -15.69400 8.54300   1.000 6.36033  ? 60  SER A CB  1 
ATOM   468  O OG  . SER A 1 60  ? -10.56400 -16.41700 8.62700   1.000 4.33033  ? 60  SER A OG  1 
ATOM   469  N N   . ARG A 1 61  ? -8.68600  -18.38600 10.56800  1.000 11.49033 ? 61  ARG A N   1 
ATOM   470  C CA  . ARG A 1 61  ? -8.94300  -18.94300 11.89600  1.000 10.74033 ? 61  ARG A CA  1 
ATOM   471  C C   . ARG A 1 61  ? -7.69400  -18.93400 12.76500  1.000 11.46033 ? 61  ARG A C   1 
ATOM   472  O O   . ARG A 1 61  ? -7.77200  -18.73200 13.98100  1.000 13.04033 ? 61  ARG A O   1 
ATOM   473  C CB  . ARG A 1 61  ? -9.51200  -20.35700 11.78200  1.000 14.39033 ? 61  ARG A CB  1 
ATOM   474  C CG  . ARG A 1 61  ? -9.33700  -21.20800 13.00600  1.000 14.62033 ? 61  ARG A CG  1 
ATOM   475  C CD  . ARG A 1 61  ? -10.44100 -22.23900 13.08900  1.000 22.77033 ? 61  ARG A CD  1 
ATOM   476  N NE  . ARG A 1 61  ? -11.70900 -21.72700 12.57400  1.000 25.81033 ? 61  ARG A NE  1 
ATOM   477  C CZ  . ARG A 1 61  ? -12.44500 -20.79100 13.16300  1.000 23.64033 ? 61  ARG A CZ  1 
ATOM   478  N NH1 . ARG A 1 61  ? -12.06000 -20.21200 14.29000  1.000 27.44033 ? 61  ARG A NH1 1 
ATOM   479  N NH2 . ARG A 1 61  ? -13.59400 -20.42500 12.60500  1.000 14.88033 ? 61  ARG A NH2 1 
ATOM   480  N N   . TRP A 1 62  ? -6.53600  -19.10900 12.13600  1.000 13.06033 ? 62  TRP A N   1 
ATOM   481  C CA  . TRP A 1 62  ? -5.28300  -19.14100 12.87200  1.000 10.37033 ? 62  TRP A CA  1 
ATOM   482  C C   . TRP A 1 62  ? -4.27700  -18.05400 12.52500  1.000 12.22033 ? 62  TRP A C   1 
ATOM   483  O O   . TRP A 1 62  ? -3.52500  -17.63100 13.39100  1.000 13.92033 ? 62  TRP A O   1 
ATOM   484  C CB  . TRP A 1 62  ? -4.58300  -20.48700 12.67500  1.000 10.29033 ? 62  TRP A CB  1 
ATOM   485  C CG  . TRP A 1 62  ? -5.31800  -21.69600 13.14900  1.000 16.62033 ? 62  TRP A CG  1 
ATOM   486  C CD1 . TRP A 1 62  ? -6.06600  -22.56500 12.39900  1.000 15.76033 ? 62  TRP A CD1 1 
ATOM   487  C CD2 . TRP A 1 62  ? -5.34000  -22.20100 14.48600  1.000 24.49033 ? 62  TRP A CD2 1 
ATOM   488  N NE1 . TRP A 1 62  ? -6.56300  -23.57100 13.19700  1.000 14.56033 ? 62  TRP A NE1 1 
ATOM   489  C CE2 . TRP A 1 62  ? -6.12800  -23.37100 14.48200  1.000 21.51033 ? 62  TRP A CE2 1 
ATOM   490  C CE3 . TRP A 1 62  ? -4.77400  -21.77300 15.69000  1.000 20.57033 ? 62  TRP A CE3 1 
ATOM   491  C CZ2 . TRP A 1 62  ? -6.36600  -24.11600 15.63800  1.000 26.34033 ? 62  TRP A CZ2 1 
ATOM   492  C CZ3 . TRP A 1 62  ? -5.00700  -22.51500 16.83300  1.000 26.00033 ? 62  TRP A CZ3 1 
ATOM   493  C CH2 . TRP A 1 62  ? -5.79700  -23.67300 16.80000  1.000 27.12033 ? 62  TRP A CH2 1 
ATOM   494  N N   . TRP A 1 63  ? -4.23500  -17.62000 11.26500  1.000 14.47033 ? 63  TRP A N   1 
ATOM   495  C CA  . TRP A 1 63  ? -3.03200  -16.94700 10.78000  1.000 9.11033  ? 63  TRP A CA  1 
ATOM   496  C C   . TRP A 1 63  ? -3.12400  -15.45000 10.51700  1.000 6.44033  ? 63  TRP A C   1 
ATOM   497  O O   . TRP A 1 63  ? -2.12500  -14.76400 10.57700  1.000 11.72033 ? 63  TRP A O   1 
ATOM   498  C CB  . TRP A 1 63  ? -2.54600  -17.64500 9.51400   1.000 9.32033  ? 63  TRP A CB  1 
ATOM   499  C CG  . TRP A 1 63  ? -2.37600  -19.10300 9.74900   1.000 7.22033  ? 63  TRP A CG  1 
ATOM   500  C CD1 . TRP A 1 63  ? -3.18800  -20.11600 9.30900   1.000 13.01033 ? 63  TRP A CD1 1 
ATOM   501  C CD2 . TRP A 1 63  ? -1.34600  -19.72500 10.52700  1.000 10.33033 ? 63  TRP A CD2 1 
ATOM   502  N NE1 . TRP A 1 63  ? -2.71200  -21.32900 9.75400   1.000 11.53033 ? 63  TRP A NE1 1 
ATOM   503  C CE2 . TRP A 1 63  ? -1.58600  -21.11500 10.50400  1.000 9.39033  ? 63  TRP A CE2 1 
ATOM   504  C CE3 . TRP A 1 63  ? -0.24300  -19.24100 11.24900  1.000 5.55033  ? 63  TRP A CE3 1 
ATOM   505  C CZ2 . TRP A 1 63  ? -0.76600  -22.02600 11.17000  1.000 13.18033 ? 63  TRP A CZ2 1 
ATOM   506  C CZ3 . TRP A 1 63  ? 0.56900   -20.15100 11.90300  1.000 10.19033 ? 63  TRP A CZ3 1 
ATOM   507  C CH2 . TRP A 1 63  ? 0.30000   -21.52700 11.85600  1.000 11.03033 ? 63  TRP A CH2 1 
ATOM   508  N N   . CYS A 1 64  ? -4.31000  -14.92500 10.24900  1.000 5.74033  ? 64  CYS A N   1 
ATOM   509  C CA  . CYS A 1 64  ? -4.39300  -13.50100 9.94500   1.000 5.03033  ? 64  CYS A CA  1 
ATOM   510  C C   . CYS A 1 64  ? -5.68500  -12.96300 10.52800  1.000 5.73033  ? 64  CYS A C   1 
ATOM   511  O O   . CYS A 1 64  ? -6.59500  -13.72700 10.83800  1.000 5.96033  ? 64  CYS A O   1 
ATOM   512  C CB  . CYS A 1 64  ? -4.32000  -13.25200 8.43100   1.000 6.78033  ? 64  CYS A CB  1 
ATOM   513  S SG  . CYS A 1 64  ? -5.64800  -14.05100 7.45500   1.000 3.37033  ? 64  CYS A SG  1 
ATOM   514  N N   . ASN A 1 65  ? -5.78500  -11.65100 10.64600  1.000 10.03033 ? 65  ASN A N   1 
ATOM   515  C CA  . ASN A 1 65  ? -6.99000  -11.06500 11.22100  1.000 8.62033  ? 65  ASN A CA  1 
ATOM   516  C C   . ASN A 1 65  ? -7.91300  -10.54700 10.11100  1.000 10.58033 ? 65  ASN A C   1 
ATOM   517  O O   . ASN A 1 65  ? -7.46400  -9.82900  9.21000   1.000 7.56033  ? 65  ASN A O   1 
ATOM   518  C CB  . ASN A 1 65  ? -6.62500  -9.92500  12.17000  1.000 6.00033  ? 65  ASN A CB  1 
ATOM   519  C CG  . ASN A 1 65  ? -7.83300  -9.33600  12.84000  1.000 14.78033 ? 65  ASN A CG  1 
ATOM   520  O OD1 . ASN A 1 65  ? -8.70700  -10.06700 13.30200  1.000 21.79033 ? 65  ASN A OD1 1 
ATOM   521  N ND2 . ASN A 1 65  ? -7.91700  -8.01200  12.86200  1.000 12.24033 ? 65  ASN A ND2 1 
ATOM   522  N N   . ASP A 1 66  ? -9.19100  -10.89600 10.13800  1.000 6.53033  ? 66  ASP A N   1 
ATOM   523  C CA  . ASP A 1 66  ? -10.08300 -10.31400 9.13600   1.000 5.12033  ? 66  ASP A CA  1 
ATOM   524  C C   . ASP A 1 66  ? -11.30500 -9.70700  9.79200   1.000 10.04033 ? 66  ASP A C   1 
ATOM   525  O O   . ASP A 1 66  ? -12.22800 -9.28700  9.10000   1.000 11.22033 ? 66  ASP A O   1 
ATOM   526  C CB  . ASP A 1 66  ? -10.48800 -11.34000 8.05100   1.000 4.66033  ? 66  ASP A CB  1 
ATOM   527  C CG  . ASP A 1 66  ? -11.34800 -12.49100 8.56900   1.000 7.85033  ? 66  ASP A CG  1 
ATOM   528  O OD1 . ASP A 1 66  ? -11.76500 -12.50900 9.75100   1.000 5.84033  ? 66  ASP A OD1 1 
ATOM   529  O OD2 . ASP A 1 66  ? -11.65100 -13.39100 7.74800   1.000 5.76033  ? 66  ASP A OD2 1 
ATOM   530  N N   . GLY A 1 67  ? -11.28600 -9.68200  11.12700  1.000 4.09033  ? 67  GLY A N   1 
ATOM   531  C CA  . GLY A 1 67  ? -12.30200 -9.03600  11.93700  1.000 6.52033  ? 67  GLY A CA  1 
ATOM   532  C C   . GLY A 1 67  ? -13.66200 -9.72300  11.91500  1.000 14.33033 ? 67  GLY A C   1 
ATOM   533  O O   . GLY A 1 67  ? -14.62000 -9.21000  12.49100  1.000 9.20033  ? 67  GLY A O   1 
ATOM   534  N N   . ARG A 1 68  ? -13.77400 -10.87800 11.26800  1.000 6.94033  ? 68  ARG A N   1 
ATOM   535  C CA  . ARG A 1 68  ? -15.06300 -11.53800 11.20700  1.000 8.61033  ? 68  ARG A CA  1 
ATOM   536  C C   . ARG A 1 68  ? -14.93800 -13.05000 11.35000  1.000 11.53033 ? 68  ARG A C   1 
ATOM   537  O O   . ARG A 1 68  ? -15.76600 -13.80700 10.83600  1.000 12.91033 ? 68  ARG A O   1 
ATOM   538  C CB  . ARG A 1 68  ? -15.76200 -11.19000 9.90500   1.000 14.42033 ? 68  ARG A CB  1 
ATOM   539  C CG  . ARG A 1 68  ? -15.08900 -11.78400 8.70300   1.000 14.18033 ? 68  ARG A CG  1 
ATOM   540  C CD  . ARG A 1 68  ? -16.04300 -11.77200 7.54200   1.000 18.38033 ? 68  ARG A CD  1 
ATOM   541  N NE  . ARG A 1 68  ? -15.62800 -12.72100 6.52300   1.000 10.80033 ? 68  ARG A NE  1 
ATOM   542  C CZ  . ARG A 1 68  ? -16.01200 -12.65600 5.25500   1.000 16.97033 ? 68  ARG A CZ  1 
ATOM   543  N NH1 . ARG A 1 68  ? -16.75700 -11.65700 4.81100   1.000 17.20033 ? 68  ARG A NH1 1 
ATOM   544  N NH2 . ARG A 1 68  ? -15.64900 -13.62400 4.41500   1.000 11.21033 ? 68  ARG A NH2 1 
ATOM   545  N N   . THR A 1 69  ? -13.90200 -13.48000 12.05800  1.000 12.12033 ? 69  THR A N   1 
ATOM   546  C CA  . THR A 1 69  ? -13.75200 -14.87800 12.43500  1.000 15.95033 ? 69  THR A CA  1 
ATOM   547  C C   . THR A 1 69  ? -13.68400 -14.96100 13.96100  1.000 12.80033 ? 69  THR A C   1 
ATOM   548  O O   . THR A 1 69  ? -12.59900 -15.05600 14.53200  1.000 13.87033 ? 69  THR A O   1 
ATOM   549  C CB  . THR A 1 69  ? -12.48400 -15.52000 11.80600  1.000 11.14033 ? 69  THR A CB  1 
ATOM   550  O OG1 . THR A 1 69  ? -12.40000 -15.19800 10.40700  1.000 7.17033  ? 69  THR A OG1 1 
ATOM   551  C CG2 . THR A 1 69  ? -12.53900 -17.02800 11.96700  1.000 8.55033  ? 69  THR A CG2 1 
ATOM   552  N N   . PRO A 1 70  ? -14.84600 -14.88100 14.62300  1.000 12.87033 ? 70  PRO A N   1 
ATOM   553  C CA  . PRO A 1 70  ? -14.91600 -14.79500 16.08600  1.000 8.89033  ? 70  PRO A CA  1 
ATOM   554  C C   . PRO A 1 70  ? -14.01200 -15.79000 16.82000  1.000 14.13033 ? 70  PRO A C   1 
ATOM   555  O O   . PRO A 1 70  ? -14.03900 -16.97900 16.52800  1.000 19.99033 ? 70  PRO A O   1 
ATOM   556  C CB  . PRO A 1 70  ? -16.38900 -15.10000 16.38400  1.000 12.01033 ? 70  PRO A CB  1 
ATOM   557  C CG  . PRO A 1 70  ? -17.12300 -15.00100 15.06600  1.000 13.04033 ? 70  PRO A CG  1 
ATOM   558  C CD  . PRO A 1 70  ? -16.15400 -14.61800 14.00100  1.000 10.53033 ? 70  PRO A CD  1 
ATOM   559  N N   . GLY A 1 71  ? -13.21000 -15.29800 17.75400  1.000 20.56033 ? 71  GLY A N   1 
ATOM   560  C CA  . GLY A 1 71  ? -12.35500 -16.17400 18.53300  1.000 20.90033 ? 71  GLY A CA  1 
ATOM   561  C C   . GLY A 1 71  ? -11.29900 -16.87600 17.70600  1.000 25.84033 ? 71  GLY A C   1 
ATOM   562  O O   . GLY A 1 71  ? -11.03400 -18.06800 17.87800  1.000 24.73033 ? 71  GLY A O   1 
ATOM   563  N N   . SER A 1 72  ? -10.70700 -16.12600 16.78600  1.000 13.09033 ? 72  SER A N   1 
ATOM   564  C CA  . SER A 1 72  ? -9.62900  -16.63900 15.95700  1.000 17.47033 ? 72  SER A CA  1 
ATOM   565  C C   . SER A 1 72  ? -8.32900  -16.04000 16.41000  1.000 17.40033 ? 72  SER A C   1 
ATOM   566  O O   . SER A 1 72  ? -8.30300  -15.06400 17.16800  1.000 13.93033 ? 72  SER A O   1 
ATOM   567  C CB  . SER A 1 72  ? -9.85100  -16.31500 14.47800  1.000 18.37033 ? 72  SER A CB  1 
ATOM   568  O OG  . SER A 1 72  ? -9.72600  -14.91700 14.24300  1.000 17.73033 ? 72  SER A OG  1 
ATOM   569  N N   . ARG A 1 73  ? -7.24500  -16.62900 15.92700  1.000 15.11033 ? 73  ARG A N   1 
ATOM   570  C CA  . ARG A 1 73  ? -5.92700  -16.09900 16.18100  1.000 10.60033 ? 73  ARG A CA  1 
ATOM   571  C C   . ARG A 1 73  ? -5.42300  -15.39300 14.92800  1.000 14.58033 ? 73  ARG A C   1 
ATOM   572  O O   . ARG A 1 73  ? -5.89000  -15.64100 13.80900  1.000 16.69033 ? 73  ARG A O   1 
ATOM   573  C CB  . ARG A 1 73  ? -4.96400  -17.21600 16.59000  1.000 9.97033  ? 73  ARG A CB  1 
ATOM   574  C CG  . ARG A 1 73  ? -5.25900  -17.82100 17.95100  1.000 16.15033 ? 73  ARG A CG  1 
ATOM   575  C CD  . ARG A 1 73  ? -4.08900  -18.68400 18.40100  1.000 40.54033 ? 73  ARG A CD  1 
ATOM   576  N NE  . ARG A 1 73  ? -4.49800  -20.04900 18.71700  1.000 38.05033 ? 73  ARG A NE  1 
ATOM   577  C CZ  . ARG A 1 73  ? -3.90100  -20.81900 19.61500  1.000 32.31033 ? 73  ARG A CZ  1 
ATOM   578  N NH1 . ARG A 1 73  ? -2.84200  -20.40000 20.28800  1.000 35.64033 ? 73  ARG A NH1 1 
ATOM   579  N NH2 . ARG A 1 73  ? -4.36400  -22.04700 19.82700  1.000 26.32033 ? 73  ARG A NH2 1 
ATOM   580  N N   . ASN A 1 74  ? -4.46500  -14.50500 15.14800  1.000 9.70033  ? 74  ASN A N   1 
ATOM   581  C CA  . ASN A 1 74  ? -3.73900  -13.80500 14.11100  1.000 7.43033  ? 74  ASN A CA  1 
ATOM   582  C C   . ASN A 1 74  ? -2.27800  -14.13500 14.38200  1.000 7.33033  ? 74  ASN A C   1 
ATOM   583  O O   . ASN A 1 74  ? -1.54700  -13.31800 14.91700  1.000 9.64033  ? 74  ASN A O   1 
ATOM   584  C CB  . ASN A 1 74  ? -4.02200  -12.29300 14.17700  1.000 8.10033  ? 74  ASN A CB  1 
ATOM   585  C CG  . ASN A 1 74  ? -3.30000  -11.49200 13.10500  1.000 9.92033  ? 74  ASN A CG  1 
ATOM   586  O OD1 . ASN A 1 74  ? -2.67500  -12.04600 12.20700  1.000 10.15033 ? 74  ASN A OD1 1 
ATOM   587  N ND2 . ASN A 1 74  ? -3.37800  -10.17300 13.21000  1.000 17.84033 ? 74  ASN A ND2 1 
ATOM   588  N N   . LEU A 1 75  ? -1.85600  -15.35100 14.06000  1.000 9.26033  ? 75  LEU A N   1 
ATOM   589  C CA  . LEU A 1 75  ? -0.48400  -15.75400 14.40800  1.000 12.90033 ? 75  LEU A CA  1 
ATOM   590  C C   . LEU A 1 75  ? 0.57500   -15.15200 13.48600  1.000 9.50033  ? 75  LEU A C   1 
ATOM   591  O O   . LEU A 1 75  ? 1.74500   -15.06600 13.85500  1.000 11.07033 ? 75  LEU A O   1 
ATOM   592  C CB  . LEU A 1 75  ? -0.34600  -17.28200 14.43500  1.000 7.58033  ? 75  LEU A CB  1 
ATOM   593  C CG  . LEU A 1 75  ? -1.09400  -17.99100 15.57400  1.000 7.14033  ? 75  LEU A CG  1 
ATOM   594  C CD1 . LEU A 1 75  ? -0.93600  -19.50900 15.52800  1.000 8.98033  ? 75  LEU A CD1 1 
ATOM   595  C CD2 . LEU A 1 75  ? -0.63100  -17.44100 16.92300  1.000 14.29033 ? 75  LEU A CD2 1 
ATOM   596  N N   . CYS A 1 76  ? 0.19100   -14.71900 12.29000  1.000 12.84033 ? 76  CYS A N   1 
ATOM   597  C CA  . CYS A 1 76  ? 1.17000   -14.04700 11.43900  1.000 7.28033  ? 76  CYS A CA  1 
ATOM   598  C C   . CYS A 1 76  ? 1.15900   -12.54100 11.65300  1.000 14.68033 ? 76  CYS A C   1 
ATOM   599  O O   . CYS A 1 76  ? 1.91600   -11.81800 11.00100  1.000 13.98033 ? 76  CYS A O   1 
ATOM   600  C CB  . CYS A 1 76  ? 0.93000   -14.35600 9.96700   1.000 8.57033  ? 76  CYS A CB  1 
ATOM   601  S SG  . CYS A 1 76  ? 1.28700   -16.04200 9.52300   1.000 6.40033  ? 76  CYS A SG  1 
ATOM   602  N N   . ASN A 1 77  ? 0.31600   -12.07500 12.57100  1.000 8.99033  ? 77  ASN A N   1 
ATOM   603  C CA  . ASN A 1 77  ? 0.21600   -10.64300 12.89400  1.000 13.97033 ? 77  ASN A CA  1 
ATOM   604  C C   . ASN A 1 77  ? 0.01400   -9.72100  11.69200  1.000 16.57033 ? 77  ASN A C   1 
ATOM   605  O O   . ASN A 1 77  ? 0.72700   -8.73300  11.54000  1.000 7.56033  ? 77  ASN A O   1 
ATOM   606  C CB  . ASN A 1 77  ? 1.46300   -10.19800 13.66000  1.000 17.16033 ? 77  ASN A CB  1 
ATOM   607  C CG  . ASN A 1 77  ? 1.12900   -9.60200  15.01000  1.000 28.14033 ? 77  ASN A CG  1 
ATOM   608  O OD1 . ASN A 1 77  ? 0.07100   -8.98700  15.18500  1.000 27.73033 ? 77  ASN A OD1 1 
ATOM   609  N ND2 . ASN A 1 77  ? 2.01400   -9.80700  15.98500  1.000 33.31033 ? 77  ASN A ND2 1 
ATOM   610  N N   . ILE A 1 78  ? -0.96400  -10.03900 10.85000  1.000 12.58033 ? 78  ILE A N   1 
ATOM   611  C CA  . ILE A 1 78  ? -1.21600  -9.26100  9.64200   1.000 10.43033 ? 78  ILE A CA  1 
ATOM   612  C C   . ILE A 1 78  ? -2.69800  -9.17300  9.35100   1.000 10.28033 ? 78  ILE A C   1 
ATOM   613  O O   . ILE A 1 78  ? -3.46000  -10.08100 9.68500   1.000 7.83033  ? 78  ILE A O   1 
ATOM   614  C CB  . ILE A 1 78  ? -0.54100  -9.86800  8.40500   1.000 15.07033 ? 78  ILE A CB  1 
ATOM   615  C CG1 . ILE A 1 78  ? -0.65200  -11.38300 8.48100   1.000 13.68033 ? 78  ILE A CG1 1 
ATOM   616  C CG2 . ILE A 1 78  ? 0.87800   -9.37000  8.24200   1.000 13.26033 ? 78  ILE A CG2 1 
ATOM   617  C CD1 . ILE A 1 78  ? -0.61600  -12.07700 7.15300   1.000 16.84033 ? 78  ILE A CD1 1 
ATOM   618  N N   . PRO A 1 79  ? -3.10400  -8.10700  8.66300   1.000 8.18033  ? 79  PRO A N   1 
ATOM   619  C CA  . PRO A 1 79  ? -4.45400  -8.18700  8.11600   1.000 14.07033 ? 79  PRO A CA  1 
ATOM   620  C C   . PRO A 1 79  ? -4.55600  -9.24500  7.02200   1.000 9.11033  ? 79  PRO A C   1 
ATOM   621  O O   . PRO A 1 79  ? -3.64200  -9.33300  6.20300   1.000 10.63033 ? 79  PRO A O   1 
ATOM   622  C CB  . PRO A 1 79  ? -4.68400  -6.78900  7.54900   1.000 7.95033  ? 79  PRO A CB  1 
ATOM   623  C CG  . PRO A 1 79  ? -3.35800  -6.26400  7.28300   1.000 12.82033 ? 79  PRO A CG  1 
ATOM   624  C CD  . PRO A 1 79  ? -2.45100  -6.82700  8.34600   1.000 7.32033  ? 79  PRO A CD  1 
ATOM   625  N N   . CYS A 1 80  ? -5.63900  -10.02700 6.99700   1.000 9.25033  ? 80  CYS A N   1 
ATOM   626  C CA  . CYS A 1 80  ? -5.80600  -11.03100 5.93700   1.000 6.07033  ? 80  CYS A CA  1 
ATOM   627  C C   . CYS A 1 80  ? -5.72200  -10.38200 4.55300   1.000 6.40033  ? 80  CYS A C   1 
ATOM   628  O O   . CYS A 1 80  ? -5.18800  -10.96900 3.60100   1.000 9.37033  ? 80  CYS A O   1 
ATOM   629  C CB  . CYS A 1 80  ? -7.13000  -11.78200 6.09900   1.000 3.22033  ? 80  CYS A CB  1 
ATOM   630  S SG  . CYS A 1 80  ? -7.23000  -12.79900 7.57500   1.000 3.83033  ? 80  CYS A SG  1 
ATOM   631  N N   . SER A 1 81  ? -6.23300  -9.15900  4.44200   1.000 6.55033  ? 81  SER A N   1 
ATOM   632  C CA  . SER A 1 81  ? -6.19300  -8.43300  3.17100   1.000 4.88033  ? 81  SER A CA  1 
ATOM   633  C C   . SER A 1 81  ? -4.77800  -8.18900  2.64900   1.000 7.08033  ? 81  SER A C   1 
ATOM   634  O O   . SER A 1 81  ? -4.57700  -7.99100  1.44300   1.000 4.25033  ? 81  SER A O   1 
ATOM   635  C CB  . SER A 1 81  ? -6.90800  -7.09300  3.31300   1.000 4.04033  ? 81  SER A CB  1 
ATOM   636  O OG  . SER A 1 81  ? -6.21000  -6.26900  4.22000   1.000 6.35033  ? 81  SER A OG  1 
ATOM   637  N N   . ALA A 1 82  ? -3.79200  -8.21400  3.53900   1.000 3.21033  ? 82  ALA A N   1 
ATOM   638  C CA  . ALA A 1 82  ? -2.40100  -8.07100  3.10900   1.000 10.06033 ? 82  ALA A CA  1 
ATOM   639  C C   . ALA A 1 82  ? -1.94700  -9.29200  2.30500   1.000 4.14033  ? 82  ALA A C   1 
ATOM   640  O O   . ALA A 1 82  ? -0.99800  -9.22800  1.53800   1.000 6.49033  ? 82  ALA A O   1 
ATOM   641  C CB  . ALA A 1 82  ? -1.49300  -7.84600  4.29900   1.000 12.47033 ? 82  ALA A CB  1 
ATOM   642  N N   . LEU A 1 83  ? -2.64300  -10.40100 2.48000   1.000 6.90033  ? 83  LEU A N   1 
ATOM   643  C CA  . LEU A 1 83  ? -2.32800  -11.64300 1.78000   1.000 10.24033 ? 83  LEU A CA  1 
ATOM   644  C C   . LEU A 1 83  ? -2.89700  -11.64400 0.36700   1.000 5.59033  ? 83  LEU A C   1 
ATOM   645  O O   . LEU A 1 83  ? -2.71700  -12.61400 -0.38000  1.000 5.96033  ? 83  LEU A O   1 
ATOM   646  C CB  . LEU A 1 83  ? -2.88900  -12.83700 2.55500   1.000 8.24033  ? 83  LEU A CB  1 
ATOM   647  C CG  . LEU A 1 83  ? -2.38300  -13.00000 3.99300   1.000 5.94033  ? 83  LEU A CG  1 
ATOM   648  C CD1 . LEU A 1 83  ? -3.16800  -14.09600 4.70200   1.000 4.10033  ? 83  LEU A CD1 1 
ATOM   649  C CD2 . LEU A 1 83  ? -0.91000  -13.31800 3.98100   1.000 7.38033  ? 83  LEU A CD2 1 
ATOM   650  N N   . LEU A 1 84  ? -3.61600  -10.57700 0.00700   1.000 5.39033  ? 84  LEU A N   1 
ATOM   651  C CA  . LEU A 1 84  ? -4.19900  -10.46200 -1.32100  1.000 3.89033  ? 84  LEU A CA  1 
ATOM   652  C C   . LEU A 1 84  ? -3.40600  -9.55000  -2.24100  1.000 6.79033  ? 84  LEU A C   1 
ATOM   653  O O   . LEU A 1 84  ? -3.79900  -9.33600  -3.38400  1.000 6.80033  ? 84  LEU A O   1 
ATOM   654  C CB  . LEU A 1 84  ? -5.63100  -9.93900  -1.25100  1.000 4.72033  ? 84  LEU A CB  1 
ATOM   655  C CG  . LEU A 1 84  ? -6.62400  -10.80000 -0.48600  1.000 3.65033  ? 84  LEU A CG  1 
ATOM   656  C CD1 . LEU A 1 84  ? -8.01200  -10.30000 -0.81100  1.000 4.82033  ? 84  LEU A CD1 1 
ATOM   657  C CD2 . LEU A 1 84  ? -6.44100  -12.26700 -0.85500  1.000 4.14033  ? 84  LEU A CD2 1 
ATOM   658  N N   . SER A 1 85  ? -2.31300  -8.99200  -1.73900  1.000 5.66033  ? 85  SER A N   1 
ATOM   659  C CA  . SER A 1 85  ? -1.50000  -8.08100  -2.54200  1.000 5.71033  ? 85  SER A CA  1 
ATOM   660  C C   . SER A 1 85  ? -0.78900  -8.74100  -3.73000  1.000 9.62033  ? 85  SER A C   1 
ATOM   661  O O   . SER A 1 85  ? -0.53700  -9.95100  -3.75900  1.000 10.73033 ? 85  SER A O   1 
ATOM   662  C CB  . SER A 1 85  ? -0.44800  -7.40600  -1.67600  1.000 7.78033  ? 85  SER A CB  1 
ATOM   663  O OG  . SER A 1 85  ? 0.45300   -6.71600  -2.51200  1.000 15.98033 ? 85  SER A OG  1 
ATOM   664  N N   . SER A 1 86  ? -0.42900  -7.91800  -4.70500  1.000 13.04033 ? 86  SER A N   1 
ATOM   665  C CA  . SER A 1 86  ? 0.36800   -8.37900  -5.82800  1.000 9.51033  ? 86  SER A CA  1 
ATOM   666  C C   . SER A 1 86  ? 1.78400   -8.70900  -5.38000  1.000 12.97033 ? 86  SER A C   1 
ATOM   667  O O   . SER A 1 86  ? 2.52200   -9.39200  -6.08800  1.000 16.01033 ? 86  SER A O   1 
ATOM   668  C CB  . SER A 1 86  ? 0.39700   -7.31200  -6.91400  1.000 16.32033 ? 86  SER A CB  1 
ATOM   669  O OG  . SER A 1 86  ? 0.69500   -6.05200  -6.33300  1.000 16.35033 ? 86  SER A OG  1 
ATOM   670  N N   . ASP A 1 87  ? 2.16800   -8.19900  -4.21400  1.000 13.51033 ? 87  ASP A N   1 
ATOM   671  C CA  . ASP A 1 87  ? 3.44500   -8.56300  -3.61100  1.000 18.33033 ? 87  ASP A CA  1 
ATOM   672  C C   . ASP A 1 87  ? 3.22600   -9.74900  -2.67700  1.000 13.97033 ? 87  ASP A C   1 
ATOM   673  O O   . ASP A 1 87  ? 2.37700   -9.69200  -1.78900  1.000 11.71033 ? 87  ASP A O   1 
ATOM   674  C CB  . ASP A 1 87  ? 4.04900   -7.38100  -2.85600  1.000 16.55033 ? 87  ASP A CB  1 
ATOM   675  C CG  . ASP A 1 87  ? 5.49600   -7.62300  -2.45400  1.000 28.92033 ? 87  ASP A CG  1 
ATOM   676  O OD1 . ASP A 1 87  ? 5.78500   -8.68200  -1.86200  1.000 25.67033 ? 87  ASP A OD1 1 
ATOM   677  O OD2 . ASP A 1 87  ? 6.35200   -6.76500  -2.77100  1.000 26.66033 ? 87  ASP A OD2 1 
ATOM   678  N N   . ILE A 1 88  ? 3.98200   -10.82500 -2.87500  1.000 18.42033 ? 88  ILE A N   1 
ATOM   679  C CA  . ILE A 1 88  ? 3.72000   -12.05600 -2.13500  1.000 9.60033  ? 88  ILE A CA  1 
ATOM   680  C C   . ILE A 1 88  ? 4.47000   -12.10400 -0.81600  1.000 12.36033 ? 88  ILE A C   1 
ATOM   681  O O   . ILE A 1 88  ? 4.36600   -13.09100 -0.07800  1.000 9.62033  ? 88  ILE A O   1 
ATOM   682  C CB  . ILE A 1 88  ? 4.06800   -13.30200 -2.96800  1.000 3.43033  ? 88  ILE A CB  1 
ATOM   683  C CG1 . ILE A 1 88  ? 5.57700   -13.35200 -3.25200  1.000 12.18033 ? 88  ILE A CG1 1 
ATOM   684  C CG2 . ILE A 1 88  ? 3.24600   -13.29800 -4.24500  1.000 12.25033 ? 88  ILE A CG2 1 
ATOM   685  C CD1 . ILE A 1 88  ? 6.04600   -14.67000 -3.79300  1.000 10.95033 ? 88  ILE A CD1 1 
ATOM   686  N N   . THR A 1 89  ? 5.23400   -11.05500 -0.51600  1.000 11.80033 ? 89  THR A N   1 
ATOM   687  C CA  . THR A 1 89  ? 6.04700   -11.04100 0.70200   1.000 14.81033 ? 89  THR A CA  1 
ATOM   688  C C   . THR A 1 89  ? 5.24700   -11.44800 1.95000   1.000 8.68033  ? 89  THR A C   1 
ATOM   689  O O   . THR A 1 89  ? 5.66800   -12.32800 2.71600   1.000 6.87033  ? 89  THR A O   1 
ATOM   690  C CB  . THR A 1 89  ? 6.66900   -9.65900  0.94000   1.000 19.15033 ? 89  THR A CB  1 
ATOM   691  O OG1 . THR A 1 89  ? 7.51200   -9.33000  -0.16700  1.000 15.61033 ? 89  THR A OG1 1 
ATOM   692  C CG2 . THR A 1 89  ? 7.50800   -9.65900  2.20600   1.000 9.25033  ? 89  THR A CG2 1 
ATOM   693  N N   . ALA A 1 90  ? 4.09600   -10.81400 2.14400   1.000 9.70033  ? 90  ALA A N   1 
ATOM   694  C CA  . ALA A 1 90  ? 3.27500   -11.10300 3.30700   1.000 9.58033  ? 90  ALA A CA  1 
ATOM   695  C C   . ALA A 1 90  ? 2.89600   -12.56500 3.30400   1.000 6.08033  ? 90  ALA A C   1 
ATOM   696  O O   . ALA A 1 90  ? 3.00900   -13.24400 4.31400   1.000 8.31033  ? 90  ALA A O   1 
ATOM   697  C CB  . ALA A 1 90  ? 2.01700   -10.22300 3.33300   1.000 14.62033 ? 90  ALA A CB  1 
ATOM   698  N N   . SER A 1 91  ? 2.46600   -13.04600 2.14400   1.000 7.66033  ? 91  SER A N   1 
ATOM   699  C CA  . SER A 1 91  ? 1.99100   -14.41700 2.02700   1.000 8.98033  ? 91  SER A CA  1 
ATOM   700  C C   . SER A 1 91  ? 3.10800   -15.40400 2.31800   1.000 9.09033  ? 91  SER A C   1 
ATOM   701  O O   . SER A 1 91  ? 2.90000   -16.41200 2.99700   1.000 9.27033  ? 91  SER A O   1 
ATOM   702  C CB  . SER A 1 91  ? 1.41000   -14.64800 0.64400   1.000 8.85033  ? 91  SER A CB  1 
ATOM   703  O OG  . SER A 1 91  ? 0.07700   -14.18800 0.62200   1.000 10.57033 ? 91  SER A OG  1 
ATOM   704  N N   . VAL A 1 92  ? 4.29200   -15.10000 1.80400   1.000 4.09033  ? 92  VAL A N   1 
ATOM   705  C CA  . VAL A 1 92  ? 5.48200   -15.91800 2.02400   1.000 9.20033  ? 92  VAL A CA  1 
ATOM   706  C C   . VAL A 1 92  ? 5.94300   -15.95700 3.48500   1.000 10.35033 ? 92  VAL A C   1 
ATOM   707  O O   . VAL A 1 92  ? 6.19700   -17.04100 4.04700   1.000 5.51033  ? 92  VAL A O   1 
ATOM   708  C CB  . VAL A 1 92  ? 6.63000   -15.43900 1.11200   1.000 12.54033 ? 92  VAL A CB  1 
ATOM   709  C CG1 . VAL A 1 92  ? 7.93300   -16.14000 1.47700   1.000 9.47033  ? 92  VAL A CG1 1 
ATOM   710  C CG2 . VAL A 1 92  ? 6.29400   -15.74800 -0.33200  1.000 11.75033 ? 92  VAL A CG2 1 
ATOM   711  N N   . ASN A 1 93  ? 6.06700   -14.78700 4.10100   1.000 5.19033  ? 93  ASN A N   1 
ATOM   712  C CA  . ASN A 1 93  ? 6.50000   -14.72800 5.49500   1.000 9.59033  ? 93  ASN A CA  1 
ATOM   713  C C   . ASN A 1 93  ? 5.54800   -15.51100 6.37800   1.000 8.04033  ? 93  ASN A C   1 
ATOM   714  O O   . ASN A 1 93  ? 5.98200   -16.20900 7.27800   1.000 7.06033  ? 93  ASN A O   1 
ATOM   715  C CB  . ASN A 1 93  ? 6.58700   -13.28300 5.99700   1.000 8.39033  ? 93  ASN A CB  1 
ATOM   716  C CG  . ASN A 1 93  ? 7.64900   -12.48000 5.28200   1.000 17.34033 ? 93  ASN A CG  1 
ATOM   717  O OD1 . ASN A 1 93  ? 8.46300   -13.02700 4.54300   1.000 11.76033 ? 93  ASN A OD1 1 
ATOM   718  N ND2 . ASN A 1 93  ? 7.63400   -11.16200 5.49100   1.000 18.77033 ? 93  ASN A ND2 1 
ATOM   719  N N   . CYS A 1 94  ? 4.24800   -15.38200 6.13100   1.000 4.92033  ? 94  CYS A N   1 
ATOM   720  C CA  . CYS A 1 94  ? 3.25800   -16.10200 6.92100   1.000 5.88033  ? 94  CYS A CA  1 
ATOM   721  C C   . CYS A 1 94  ? 3.31800   -17.61700 6.63800   1.000 6.13033  ? 94  CYS A C   1 
ATOM   722  O O   . CYS A 1 94  ? 3.20000   -18.44000 7.55300   1.000 5.68033  ? 94  CYS A O   1 
ATOM   723  C CB  . CYS A 1 94  ? 1.86100   -15.54700 6.63900   1.000 6.56033  ? 94  CYS A CB  1 
ATOM   724  S SG  . CYS A 1 94  ? 0.58200   -16.26900 7.63200   1.000 7.16033  ? 94  CYS A SG  1 
ATOM   725  N N   . ALA A 1 95  ? 3.51800   -17.95700 5.36600   1.000 4.19033  ? 95  ALA A N   1 
ATOM   726  C CA  . ALA A 1 95  ? 3.68800   -19.33300 4.92400   1.000 4.23033  ? 95  ALA A CA  1 
ATOM   727  C C   . ALA A 1 95  ? 4.88200   -19.98300 5.63300   1.000 4.94033  ? 95  ALA A C   1 
ATOM   728  O O   . ALA A 1 95  ? 4.84600   -21.15500 6.03600   1.000 5.15033  ? 95  ALA A O   1 
ATOM   729  C CB  . ALA A 1 95  ? 3.87000   -19.38000 3.44200   1.000 5.10033  ? 95  ALA A CB  1 
ATOM   730  N N   . LYS A 1 96  ? 5.94000   -19.20300 5.79400   1.000 4.77033  ? 96  LYS A N   1 
ATOM   731  C CA  . LYS A 1 96  ? 7.11400   -19.65100 6.52700   1.000 8.33033  ? 96  LYS A CA  1 
ATOM   732  C C   . LYS A 1 96  ? 6.78200   -20.07900 7.95400   1.000 8.77033  ? 96  LYS A C   1 
ATOM   733  O O   . LYS A 1 96  ? 7.31700   -21.06400 8.44400   1.000 9.98033  ? 96  LYS A O   1 
ATOM   734  C CB  . LYS A 1 96  ? 8.15000   -18.53200 6.53500   1.000 7.77033  ? 96  LYS A CB  1 
ATOM   735  C CG  . LYS A 1 96  ? 8.81100   -18.29000 5.21300   1.000 6.20033  ? 96  LYS A CG  1 
ATOM   736  C CD  . LYS A 1 96  ? 10.08700  -17.49900 5.45000   1.000 15.27033 ? 96  LYS A CD  1 
ATOM   737  C CE  . LYS A 1 96  ? 11.20400  -17.88100 4.48300   1.000 18.17033 ? 96  LYS A CE  1 
ATOM   738  N NZ  . LYS A 1 96  ? 11.71300  -16.69900 3.70200   1.000 8.93033  ? 96  LYS A NZ  1 
ATOM   739  N N   . LYS A 1 97  ? 5.90500   -19.34900 8.63900   1.000 6.99033  ? 97  LYS A N   1 
ATOM   740  C CA  . LYS A 1 97  ? 5.53200   -19.78200 9.98900   1.000 7.00033  ? 97  LYS A CA  1 
ATOM   741  C C   . LYS A 1 97  ? 4.59300   -20.97000 9.97800   1.000 9.05033  ? 97  LYS A C   1 
ATOM   742  O O   . LYS A 1 97  ? 4.65400   -21.82800 10.85800  1.000 8.57033  ? 97  LYS A O   1 
ATOM   743  C CB  . LYS A 1 97  ? 4.92600   -18.62900 10.82500  1.000 6.49033  ? 97  LYS A CB  1 
ATOM   744  C CG  . LYS A 1 97  ? 5.15700   -17.21100 10.32300  1.000 13.34033 ? 97  LYS A CG  1 
ATOM   745  C CD  . LYS A 1 97  ? 4.78500   -16.23300 11.45500  1.000 23.83033 ? 97  LYS A CD  1 
ATOM   746  C CE  . LYS A 1 97  ? 5.20300   -14.77100 11.19700  1.000 23.54033 ? 97  LYS A CE  1 
ATOM   747  N NZ  . LYS A 1 97  ? 4.73600   -14.16200 9.91400   1.000 20.69033 ? 97  LYS A NZ  1 
ATOM   748  N N   . ILE A 1 98  ? 3.73800   -21.03900 8.97300   1.000 5.06033  ? 98  ILE A N   1 
ATOM   749  C CA  . ILE A 1 98  ? 2.78100   -22.12800 8.91700   1.000 7.94033  ? 98  ILE A CA  1 
ATOM   750  C C   . ILE A 1 98  ? 3.49800   -23.47000 8.74500   1.000 6.58033  ? 98  ILE A C   1 
ATOM   751  O O   . ILE A 1 98  ? 3.19100   -24.42800 9.44700   1.000 9.19033  ? 98  ILE A O   1 
ATOM   752  C CB  . ILE A 1 98  ? 1.76000   -21.90300 7.79800   1.000 7.29033  ? 98  ILE A CB  1 
ATOM   753  C CG1 . ILE A 1 98  ? 0.91300   -20.65700 8.09200   1.000 6.33033  ? 98  ILE A CG1 1 
ATOM   754  C CG2 . ILE A 1 98  ? 0.86900   -23.10800 7.66000   1.000 4.84033  ? 98  ILE A CG2 1 
ATOM   755  C CD1 . ILE A 1 98  ? 0.02400   -20.26900 6.97000   1.000 4.77033  ? 98  ILE A CD1 1 
ATOM   756  N N   . VAL A 1 99  ? 4.47000   -23.52400 7.82900   1.000 6.10033  ? 99  VAL A N   1 
ATOM   757  C CA  . VAL A 1 99  ? 5.14800   -24.77900 7.46500   1.000 7.31033  ? 99  VAL A CA  1 
ATOM   758  C C   . VAL A 1 99  ? 6.10300   -25.21400 8.56700   1.000 13.48033 ? 99  VAL A C   1 
ATOM   759  O O   . VAL A 1 99  ? 6.63000   -26.33600 8.55400   1.000 5.90033  ? 99  VAL A O   1 
ATOM   760  C CB  . VAL A 1 99  ? 5.88100   -24.63600 6.09500   1.000 1.65033  ? 99  VAL A CB  1 
ATOM   761  C CG1 . VAL A 1 99  ? 7.17800   -23.82000 6.20000   1.000 4.53033  ? 99  VAL A CG1 1 
ATOM   762  C CG2 . VAL A 1 99  ? 6.14700   -25.98400 5.45200   1.000 7.57033  ? 99  VAL A CG2 1 
ATOM   763  N N   . SER A 1 100 ? 6.31600   -24.31700 9.52500   1.000 11.87033 ? 100 SER A N   1 
ATOM   764  C CA  . SER A 1 100 ? 7.16300   -24.59400 10.66800  1.000 13.87033 ? 100 SER A CA  1 
ATOM   765  C C   . SER A 1 100 ? 6.33800   -25.07000 11.85800  1.000 15.69033 ? 100 SER A C   1 
ATOM   766  O O   . SER A 1 100 ? 6.88200   -25.54700 12.84200  1.000 19.98033 ? 100 SER A O   1 
ATOM   767  C CB  . SER A 1 100 ? 7.95300   -23.35000 11.04000  1.000 14.38033 ? 100 SER A CB  1 
ATOM   768  O OG  . SER A 1 100 ? 8.88400   -23.04900 10.02500  1.000 11.74033 ? 100 SER A OG  1 
ATOM   769  N N   . ASP A 1 101 ? 5.01800   -24.96200 11.74800  1.000 16.44033 ? 101 ASP A N   1 
ATOM   770  C CA  . ASP A 1 101 ? 4.13200   -25.15200 12.89600  1.000 19.66033 ? 101 ASP A CA  1 
ATOM   771  C C   . ASP A 1 101 ? 3.96900   -26.63700 13.27300  1.000 23.73033 ? 101 ASP A C   1 
ATOM   772  O O   . ASP A 1 101 ? 3.17300   -26.98100 14.15400  1.000 24.80033 ? 101 ASP A O   1 
ATOM   773  C CB  . ASP A 1 101 ? 2.76200   -24.52000 12.60600  1.000 27.64033 ? 101 ASP A CB  1 
ATOM   774  C CG  . ASP A 1 101 ? 1.90700   -24.37800 13.85000  1.000 28.38033 ? 101 ASP A CG  1 
ATOM   775  O OD1 . ASP A 1 101 ? 2.37100   -23.70400 14.79100  1.000 32.33033 ? 101 ASP A OD1 1 
ATOM   776  O OD2 . ASP A 1 101 ? 0.78000   -24.92800 13.89300  1.000 31.67033 ? 101 ASP A OD2 1 
ATOM   777  N N   . GLY A 1 102 ? 4.72200   -27.51400 12.60900  1.000 21.23033 ? 102 GLY A N   1 
ATOM   778  C CA  . GLY A 1 102 ? 4.73700   -28.92300 12.98000  1.000 22.86033 ? 102 GLY A CA  1 
ATOM   779  C C   . GLY A 1 102 ? 4.20100   -29.94200 11.98400  1.000 20.82033 ? 102 GLY A C   1 
ATOM   780  O O   . GLY A 1 102 ? 4.70200   -31.06800 11.92600  1.000 18.80033 ? 102 GLY A O   1 
ATOM   781  N N   . ASN A 1 103 ? 3.18600   -29.57000 11.20800  1.000 19.49033 ? 103 ASN A N   1 
ATOM   782  C CA  . ASN A 1 103 ? 2.65100   -30.47400 10.19000  1.000 13.04033 ? 103 ASN A CA  1 
ATOM   783  C C   . ASN A 1 103 ? 3.18400   -30.19800 8.79900   1.000 8.95033  ? 103 ASN A C   1 
ATOM   784  O O   . ASN A 1 103 ? 2.69900   -30.77300 7.83700   1.000 6.38033  ? 103 ASN A O   1 
ATOM   785  C CB  . ASN A 1 103 ? 1.12800   -30.42000 10.16100  1.000 13.12033 ? 103 ASN A CB  1 
ATOM   786  C CG  . ASN A 1 103 ? 0.51200   -30.73700 11.50200  1.000 20.16033 ? 103 ASN A CG  1 
ATOM   787  O OD1 . ASN A 1 103 ? 1.01500   -31.58500 12.25800  1.000 15.15033 ? 103 ASN A OD1 1 
ATOM   788  N ND2 . ASN A 1 103 ? -0.57900  -30.04600 11.81900  1.000 19.04033 ? 103 ASN A ND2 1 
ATOM   789  N N   . GLY A 1 104 ? 4.19900   -29.34700 8.70600   1.000 5.88033  ? 104 GLY A N   1 
ATOM   790  C CA  . GLY A 1 104 ? 4.80500   -28.98700 7.43500   1.000 6.90033  ? 104 GLY A CA  1 
ATOM   791  C C   . GLY A 1 104 ? 3.80200   -28.49200 6.41000   1.000 4.75033  ? 104 GLY A C   1 
ATOM   792  O O   . GLY A 1 104 ? 2.91100   -27.71800 6.72700   1.000 4.20033  ? 104 GLY A O   1 
ATOM   793  N N   . MET A 1 105 ? 3.93800   -28.97100 5.17800   1.000 5.81033  ? 105 MET A N   1 
ATOM   794  C CA  . MET A 1 105 ? 3.12300   -28.48500 4.07100   1.000 5.43033  ? 105 MET A CA  1 
ATOM   795  C C   . MET A 1 105 ? 1.74100   -29.14300 4.10000   1.000 4.96033  ? 105 MET A C   1 
ATOM   796  O O   . MET A 1 105 ? 0.84400   -28.74800 3.35600   1.000 4.37033  ? 105 MET A O   1 
ATOM   797  C CB  . MET A 1 105 ? 3.86200   -28.76000 2.77300   1.000 2.47033  ? 105 MET A CB  1 
ATOM   798  C CG  . MET A 1 105 ? 4.87000   -27.66700 2.46500   1.000 2.20033  ? 105 MET A CG  1 
ATOM   799  S SD  . MET A 1 105 ? 5.14600   -27.33100 0.72600   1.000 7.48033  ? 105 MET A SD  1 
ATOM   800  C CE  . MET A 1 105 ? 3.67500   -26.44200 0.25400   1.000 4.81033  ? 105 MET A CE  1 
ATOM   801  N N   . ASN A 1 106 ? 1.57200   -30.13300 4.98400   1.000 6.91033  ? 106 ASN A N   1 
ATOM   802  C CA  . ASN A 1 106 ? 0.30200   -30.85500 5.13700   1.000 5.74033  ? 106 ASN A CA  1 
ATOM   803  C C   . ASN A 1 106 ? -0.82200  -29.94100 5.58700   1.000 4.10033  ? 106 ASN A C   1 
ATOM   804  O O   . ASN A 1 106 ? -1.99100  -30.30800 5.49700   1.000 6.13033  ? 106 ASN A O   1 
ATOM   805  C CB  . ASN A 1 106 ? 0.43400   -32.01800 6.13500   1.000 5.24033  ? 106 ASN A CB  1 
ATOM   806  C CG  . ASN A 1 106 ? 1.27400   -33.14900 5.60500   1.000 11.09033 ? 106 ASN A CG  1 
ATOM   807  O OD1 . ASN A 1 106 ? 0.91100   -33.79500 4.62500   1.000 10.89033 ? 106 ASN A OD1 1 
ATOM   808  N ND2 . ASN A 1 106 ? 2.39500   -33.41000 6.25700   1.000 6.42033  ? 106 ASN A ND2 1 
ATOM   809  N N   . ALA A 1 107 ? -0.45100  -28.77300 6.10500   1.000 4.93033  ? 107 ALA A N   1 
ATOM   810  C CA  . ALA A 1 107 ? -1.39300  -27.71400 6.46400   1.000 10.73033 ? 107 ALA A CA  1 
ATOM   811  C C   . ALA A 1 107 ? -2.20300  -27.23200 5.25100   1.000 9.32033  ? 107 ALA A C   1 
ATOM   812  O O   . ALA A 1 107 ? -3.31100  -26.70100 5.41300   1.000 7.63033  ? 107 ALA A O   1 
ATOM   813  C CB  . ALA A 1 107 ? -0.64300  -26.54300 7.09300   1.000 3.72033  ? 107 ALA A CB  1 
ATOM   814  N N   . TRP A 1 108 ? -1.64300  -27.41400 4.04800   1.000 6.16033  ? 108 TRP A N   1 
ATOM   815  C CA  . TRP A 1 108 ? -2.31200  -27.05600 2.79500   1.000 2.45033  ? 108 TRP A CA  1 
ATOM   816  C C   . TRP A 1 108 ? -2.95400  -28.30100 2.19400   1.000 3.88033  ? 108 TRP A C   1 
ATOM   817  O O   . TRP A 1 108 ? -2.26500  -29.17500 1.66700   1.000 4.99033  ? 108 TRP A O   1 
ATOM   818  C CB  . TRP A 1 108 ? -1.34100  -26.42500 1.79900   1.000 3.19033  ? 108 TRP A CB  1 
ATOM   819  C CG  . TRP A 1 108 ? -0.92900  -25.03800 2.17700   1.000 4.08033  ? 108 TRP A CG  1 
ATOM   820  C CD1 . TRP A 1 108 ? -1.60100  -23.88100 1.89200   1.000 9.21033  ? 108 TRP A CD1 1 
ATOM   821  C CD2 . TRP A 1 108 ? 0.25400   -24.64400 2.89600   1.000 5.76033  ? 108 TRP A CD2 1 
ATOM   822  N NE1 . TRP A 1 108 ? -0.91800  -22.80700 2.39200   1.000 10.74033 ? 108 TRP A NE1 1 
ATOM   823  C CE2 . TRP A 1 108 ? 0.22100   -23.24700 3.01700   1.000 7.10033  ? 108 TRP A CE2 1 
ATOM   824  C CE3 . TRP A 1 108 ? 1.32500   -25.34100 3.45800   1.000 4.52033  ? 108 TRP A CE3 1 
ATOM   825  C CZ2 . TRP A 1 108 ? 1.22300   -22.53000 3.66600   1.000 6.75033  ? 108 TRP A CZ2 1 
ATOM   826  C CZ3 . TRP A 1 108 ? 2.31800   -24.62200 4.10800   1.000 5.05033  ? 108 TRP A CZ3 1 
ATOM   827  C CH2 . TRP A 1 108 ? 2.25900   -23.23600 4.21000   1.000 5.21033  ? 108 TRP A CH2 1 
ATOM   828  N N   . VAL A 1 109 ? -4.27500  -28.36600 2.28600   1.000 4.06033  ? 109 VAL A N   1 
ATOM   829  C CA  . VAL A 1 109 ? -5.03200  -29.56300 1.94400   1.000 7.62033  ? 109 VAL A CA  1 
ATOM   830  C C   . VAL A 1 109 ? -4.79100  -29.92800 0.47200   1.000 6.74033  ? 109 VAL A C   1 
ATOM   831  O O   . VAL A 1 109 ? -4.63800  -31.12000 0.11600   1.000 7.02033  ? 109 VAL A O   1 
ATOM   832  C CB  . VAL A 1 109 ? -6.52300  -29.34600 2.29400   1.000 6.92033  ? 109 VAL A CB  1 
ATOM   833  C CG1 . VAL A 1 109 ? -7.11300  -28.20900 1.47400   1.000 9.40033  ? 109 VAL A CG1 1 
ATOM   834  C CG2 . VAL A 1 109 ? -7.32500  -30.62400 2.11500   1.000 10.90033 ? 109 VAL A CG2 1 
ATOM   835  N N   . ALA A 1 110 ? -4.67000  -28.91000 -0.37500  1.000 7.31033  ? 110 ALA A N   1 
ATOM   836  C CA  . ALA A 1 110 ? -4.50000  -29.14700 -1.81300  1.000 6.20033  ? 110 ALA A CA  1 
ATOM   837  C C   . ALA A 1 110 ? -3.09500  -29.65500 -2.07900  1.000 6.53033  ? 110 ALA A C   1 
ATOM   838  O O   . ALA A 1 110 ? -2.86400  -30.41700 -3.02300  1.000 6.07033  ? 110 ALA A O   1 
ATOM   839  C CB  . ALA A 1 110 ? -4.79200  -27.87400 -2.63000  1.000 5.29033  ? 110 ALA A CB  1 
ATOM   840  N N   . TRP A 1 111 ? -2.15000  -29.27000 -1.23300  1.000 6.78033  ? 111 TRP A N   1 
ATOM   841  C CA  . TRP A 1 111 ? -0.80200  -29.79600 -1.37500  1.000 5.07033  ? 111 TRP A CA  1 
ATOM   842  C C   . TRP A 1 111 ? -0.75800  -31.26200 -0.98200  1.000 4.83033  ? 111 TRP A C   1 
ATOM   843  O O   . TRP A 1 111 ? -0.15300  -32.10100 -1.67900  1.000 5.81033  ? 111 TRP A O   1 
ATOM   844  C CB  . TRP A 1 111 ? 0.19500   -29.01600 -0.52000  1.000 5.13033  ? 111 TRP A CB  1 
ATOM   845  C CG  . TRP A 1 111 ? 1.54000   -29.66300 -0.61900  1.000 5.06033  ? 111 TRP A CG  1 
ATOM   846  C CD1 . TRP A 1 111 ? 2.46000   -29.49300 -1.61200  1.000 5.34033  ? 111 TRP A CD1 1 
ATOM   847  C CD2 . TRP A 1 111 ? 2.09800   -30.61200 0.29600   1.000 3.36033  ? 111 TRP A CD2 1 
ATOM   848  N NE1 . TRP A 1 111 ? 3.55400   -30.29300 -1.37700  1.000 4.52033  ? 111 TRP A NE1 1 
ATOM   849  C CE2 . TRP A 1 111 ? 3.36600   -30.97200 -0.19800  1.000 6.31033  ? 111 TRP A CE2 1 
ATOM   850  C CE3 . TRP A 1 111 ? 1.64700   -31.18600 1.49600   1.000 6.24033  ? 111 TRP A CE3 1 
ATOM   851  C CZ2 . TRP A 1 111 ? 4.18800   -31.88400 0.46600   1.000 8.90033  ? 111 TRP A CZ2 1 
ATOM   852  C CZ3 . TRP A 1 111 ? 2.46300   -32.08000 2.15900   1.000 7.00033  ? 111 TRP A CZ3 1 
ATOM   853  C CH2 . TRP A 1 111 ? 3.72100   -32.42300 1.64300   1.000 6.94033  ? 111 TRP A CH2 1 
ATOM   854  N N   . ARG A 1 112 ? -1.41000  -31.57000 0.13500   1.000 5.53033  ? 112 ARG A N   1 
ATOM   855  C CA  . ARG A 1 112 ? -1.41700  -32.93300 0.64600   1.000 10.64033 ? 112 ARG A CA  1 
ATOM   856  C C   . ARG A 1 112 ? -2.09600  -33.83300 -0.39500  1.000 9.94033  ? 112 ARG A C   1 
ATOM   857  O O   . ARG A 1 112 ? -1.59900  -34.92600 -0.72800  1.000 8.20033  ? 112 ARG A O   1 
ATOM   858  C CB  . ARG A 1 112 ? -2.12800  -32.98400 2.00900   1.000 8.18033  ? 112 ARG A CB  1 
ATOM   859  C CG  . ARG A 1 112 ? -1.91500  -34.27300 2.79700   1.000 14.20033 ? 112 ARG A CG  1 
ATOM   860  C CD  . ARG A 1 112 ? -2.90200  -34.34000 3.94300   1.000 17.04033 ? 112 ARG A CD  1 
ATOM   861  N NE  . ARG A 1 112 ? -3.32500  -33.00100 4.33400   1.000 23.62033 ? 112 ARG A NE  1 
ATOM   862  C CZ  . ARG A 1 112 ? -4.58800  -32.62000 4.48300   1.000 24.28033 ? 112 ARG A CZ  1 
ATOM   863  N NH1 . ARG A 1 112 ? -5.59500  -33.43400 4.20200   1.000 9.47033  ? 112 ARG A NH1 1 
ATOM   864  N NH2 . ARG A 1 112 ? -4.84700  -31.38400 4.91100   1.000 19.33033 ? 112 ARG A NH2 1 
ATOM   865  N N   . ASN A 1 113 ? -3.20000  -33.34500 -0.96400  1.000 5.10033  ? 113 ASN A N   1 
ATOM   866  C CA  . ASN A 1 113 ? -4.00600  -34.19300 -1.83900  1.000 7.20033  ? 113 ASN A CA  1 
ATOM   867  C C   . ASN A 1 113 ? -3.57600  -34.17300 -3.29800  1.000 8.22033  ? 113 ASN A C   1 
ATOM   868  O O   . ASN A 1 113 ? -3.92800  -35.07700 -4.05600  1.000 8.55033  ? 113 ASN A O   1 
ATOM   869  C CB  . ASN A 1 113 ? -5.48000  -33.79000 -1.73400  1.000 5.53033  ? 113 ASN A CB  1 
ATOM   870  C CG  . ASN A 1 113 ? -6.10400  -34.22500 -0.42800  1.000 9.72033  ? 113 ASN A CG  1 
ATOM   871  O OD1 . ASN A 1 113 ? -5.63900  -35.17500 0.20100   1.000 8.31033  ? 113 ASN A OD1 1 
ATOM   872  N ND2 . ASN A 1 113 ? -7.15500  -33.53400 -0.00900  1.000 7.64033  ? 113 ASN A ND2 1 
ATOM   873  N N   . ARG A 1 114 ? -2.81600  -33.15700 -3.70500  1.000 4.45033  ? 114 ARG A N   1 
ATOM   874  C CA  . ARG A 1 114 ? -2.56300  -32.98500 -5.12300  1.000 10.57033 ? 114 ARG A CA  1 
ATOM   875  C C   . ARG A 1 114 ? -1.08800  -32.81500 -5.46300  1.000 3.20033  ? 114 ARG A C   1 
ATOM   876  O O   . ARG A 1 114 ? -0.71900  -32.92600 -6.62800  1.000 8.64033  ? 114 ARG A O   1 
ATOM   877  C CB  . ARG A 1 114 ? -3.37800  -31.80100 -5.66200  1.000 6.19033  ? 114 ARG A CB  1 
ATOM   878  C CG  . ARG A 1 114 ? -4.89400  -31.87800 -5.30100  1.000 7.22033  ? 114 ARG A CG  1 
ATOM   879  C CD  . ARG A 1 114 ? -5.76200  -30.80500 -5.94700  1.000 4.84033  ? 114 ARG A CD  1 
ATOM   880  N NE  . ARG A 1 114 ? -5.81700  -30.92300 -7.39900  1.000 7.61033  ? 114 ARG A NE  1 
ATOM   881  C CZ  . ARG A 1 114 ? -6.51800  -30.12200 -8.18500  1.000 11.50033 ? 114 ARG A CZ  1 
ATOM   882  N NH1 . ARG A 1 114 ? -7.24600  -29.13100 -7.69100  1.000 4.48033  ? 114 ARG A NH1 1 
ATOM   883  N NH2 . ARG A 1 114 ? -6.49100  -30.32000 -9.50000  1.000 5.78033  ? 114 ARG A NH2 1 
ATOM   884  N N   . CYS A 1 115 ? -0.24100  -32.57800 -4.46800  1.000 4.42033  ? 115 CYS A N   1 
ATOM   885  C CA  . CYS A 1 115 ? 1.16600   -32.32700 -4.75800  1.000 2.26033  ? 115 CYS A CA  1 
ATOM   886  C C   . CYS A 1 115 ? 2.09900   -33.32400 -4.09800  1.000 5.43033  ? 115 CYS A C   1 
ATOM   887  O O   . CYS A 1 115 ? 3.09100   -33.75000 -4.69100  1.000 2.98033  ? 115 CYS A O   1 
ATOM   888  C CB  . CYS A 1 115 ? 1.57000   -30.93200 -4.30200  1.000 4.24033  ? 115 CYS A CB  1 
ATOM   889  S SG  . CYS A 1 115 ? 0.63300   -29.64900 -5.04300  1.000 3.84033  ? 115 CYS A SG  1 
ATOM   890  N N   . LYS A 1 116 ? 1.78700   -33.62200 -2.84000  1.000 2.10033  ? 116 LYS A N   1 
ATOM   891  C CA  . LYS A 1 116 ? 2.52200   -34.56800 -2.03700  1.000 3.24033  ? 116 LYS A CA  1 
ATOM   892  C C   . LYS A 1 116 ? 2.65800   -35.86100 -2.81800  1.000 7.14033  ? 116 LYS A C   1 
ATOM   893  O O   . LYS A 1 116 ? 1.65200   -36.42100 -3.25300  1.000 9.58033  ? 116 LYS A O   1 
ATOM   894  C CB  . LYS A 1 116 ? 1.79300   -34.80200 -0.72000  1.000 4.94033  ? 116 LYS A CB  1 
ATOM   895  C CG  . LYS A 1 116 ? 2.57800   -35.64000 0.27800   1.000 6.44033  ? 116 LYS A CG  1 
ATOM   896  C CD  . LYS A 1 116 ? 1.84200   -35.62100 1.59700   1.000 7.09033  ? 116 LYS A CD  1 
ATOM   897  C CE  . LYS A 1 116 ? 2.65500   -36.22100 2.71700   1.000 7.69033  ? 116 LYS A CE  1 
ATOM   898  N NZ  . LYS A 1 116 ? 1.92400   -36.03000 4.01900   1.000 14.94033 ? 116 LYS A NZ  1 
ATOM   899  N N   . GLY A 1 117 ? 3.89800   -36.30200 -3.01300  1.000 3.71033  ? 117 GLY A N   1 
ATOM   900  C CA  . GLY A 1 117 ? 4.16600   -37.55500 -3.70200  1.000 8.95033  ? 117 GLY A CA  1 
ATOM   901  C C   . GLY A 1 117 ? 4.26800   -37.50600 -5.21300  1.000 16.49033 ? 117 GLY A C   1 
ATOM   902  O O   . GLY A 1 117 ? 4.59900   -38.51200 -5.84300  1.000 16.21033 ? 117 GLY A O   1 
ATOM   903  N N   . THR A 1 118 ? 3.98200   -36.35300 -5.80600  1.000 11.53033 ? 118 THR A N   1 
ATOM   904  C CA  . THR A 1 118 ? 4.01000   -36.24600 -7.25800  1.000 7.99033  ? 118 THR A CA  1 
ATOM   905  C C   . THR A 1 118 ? 5.33400   -35.60400 -7.68900  1.000 8.04033  ? 118 THR A C   1 
ATOM   906  O O   . THR A 1 118 ? 6.11400   -35.13000 -6.85300  1.000 11.84033 ? 118 THR A O   1 
ATOM   907  C CB  . THR A 1 118 ? 2.83900   -35.41800 -7.79500  1.000 14.99033 ? 118 THR A CB  1 
ATOM   908  O OG1 . THR A 1 118 ? 3.05400   -34.03000 -7.50500  1.000 8.68033  ? 118 THR A OG1 1 
ATOM   909  C CG2 . THR A 1 118 ? 1.53200   -35.84900 -7.13000  1.000 10.29033 ? 118 THR A CG2 1 
ATOM   910  N N   . ASP A 1 119 ? 5.58700   -35.58700 -8.99100  1.000 13.21033 ? 119 ASP A N   1 
ATOM   911  C CA  . ASP A 1 119 ? 6.81200   -34.99800 -9.50200  1.000 13.89033 ? 119 ASP A CA  1 
ATOM   912  C C   . ASP A 1 119 ? 6.66800   -33.48500 -9.51100  1.000 10.26033 ? 119 ASP A C   1 
ATOM   913  O O   . ASP A 1 119 ? 6.34600   -32.90100 -10.54100 1.000 16.52033 ? 119 ASP A O   1 
ATOM   914  C CB  . ASP A 1 119 ? 7.12000   -35.51000 -10.90900 1.000 16.81033 ? 119 ASP A CB  1 
ATOM   915  C CG  . ASP A 1 119 ? 8.38500   -34.88500 -11.50100 1.000 24.80033 ? 119 ASP A CG  1 
ATOM   916  O OD1 . ASP A 1 119 ? 9.11700   -34.18300 -10.76700 1.000 24.42033 ? 119 ASP A OD1 1 
ATOM   917  O OD2 . ASP A 1 119 ? 8.65600   -35.11700 -12.69800 1.000 41.99033 ? 119 ASP A OD2 1 
ATOM   918  N N   . VAL A 1 120 ? 6.91800   -32.84900 -8.37100  1.000 12.23033 ? 120 VAL A N   1 
ATOM   919  C CA  . VAL A 1 120 ? 6.70800   -31.40900 -8.25200  1.000 14.09033 ? 120 VAL A CA  1 
ATOM   920  C C   . VAL A 1 120 ? 7.77200   -30.59300 -8.99900  1.000 11.57033 ? 120 VAL A C   1 
ATOM   921  O O   . VAL A 1 120 ? 7.54500   -29.42200 -9.30300  1.000 15.27033 ? 120 VAL A O   1 
ATOM   922  C CB  . VAL A 1 120 ? 6.67400   -30.99300 -6.79700  1.000 9.61033  ? 120 VAL A CB  1 
ATOM   923  C CG1 . VAL A 1 120 ? 5.45000   -31.62200 -6.09100  1.000 6.15033  ? 120 VAL A CG1 1 
ATOM   924  C CG2 . VAL A 1 120 ? 7.97500   -31.38400 -6.13400  1.000 9.03033  ? 120 VAL A CG2 1 
ATOM   925  N N   . GLN A 1 121 ? 8.93000   -31.19500 -9.27100  1.000 11.92033 ? 121 GLN A N   1 
ATOM   926  C CA  . GLN A 1 121 ? 9.97100   -30.52000 -10.04800 1.000 17.29033 ? 121 GLN A CA  1 
ATOM   927  C C   . GLN A 1 121 ? 9.40400   -30.10200 -11.41000 1.000 20.16033 ? 121 GLN A C   1 
ATOM   928  O O   . GLN A 1 121 ? 9.81600   -29.09500 -11.98700 1.000 14.45033 ? 121 GLN A O   1 
ATOM   929  C CB  . GLN A 1 121 ? 11.20100  -31.42600 -10.21000 1.000 24.78033 ? 121 GLN A CB  1 
ATOM   930  C CG  . GLN A 1 121 ? 12.39700  -30.80700 -10.95100 1.000 27.50033 ? 121 GLN A CG  1 
ATOM   931  C CD  . GLN A 1 121 ? 12.29000  -30.93600 -12.46800 1.000 34.77033 ? 121 GLN A CD  1 
ATOM   932  O OE1 . GLN A 1 121 ? 12.42600  -29.95300 -13.20500 1.000 37.80033 ? 121 GLN A OE1 1 
ATOM   933  N NE2 . GLN A 1 121 ? 12.04500  -32.15600 -12.94000 1.000 38.99033 ? 121 GLN A NE2 1 
ATOM   934  N N   . ALA A 1 122 ? 8.42200   -30.85700 -11.89500 1.000 13.48033 ? 122 ALA A N   1 
ATOM   935  C CA  . ALA A 1 122 ? 7.76000   -30.53400 -13.15100 1.000 10.23033 ? 122 ALA A CA  1 
ATOM   936  C C   . ALA A 1 122 ? 7.16100   -29.12600 -13.14100 1.000 18.65033 ? 122 ALA A C   1 
ATOM   937  O O   . ALA A 1 122 ? 6.91700   -28.54400 -14.19300 1.000 18.26033 ? 122 ALA A O   1 
ATOM   938  C CB  . ALA A 1 122 ? 6.68200   -31.57300 -13.46000 1.000 11.72033 ? 122 ALA A CB  1 
ATOM   939  N N   . TRP A 1 123 ? 6.95300   -28.57500 -11.94600 1.000 13.99033 ? 123 TRP A N   1 
ATOM   940  C CA  . TRP A 1 123 ? 6.38200   -27.24100 -11.79400 1.000 14.39033 ? 123 TRP A CA  1 
ATOM   941  C C   . TRP A 1 123 ? 7.38300   -26.10600 -12.01400 1.000 13.20033 ? 123 TRP A C   1 
ATOM   942  O O   . TRP A 1 123 ? 6.99500   -24.97800 -12.33500 1.000 10.76033 ? 123 TRP A O   1 
ATOM   943  C CB  . TRP A 1 123 ? 5.73100   -27.12500 -10.41200 1.000 18.33033 ? 123 TRP A CB  1 
ATOM   944  C CG  . TRP A 1 123 ? 4.47100   -27.92000 -10.36700 1.000 11.70033 ? 123 TRP A CG  1 
ATOM   945  C CD1 . TRP A 1 123 ? 4.27900   -29.13600 -9.78700  1.000 10.43033 ? 123 TRP A CD1 1 
ATOM   946  C CD2 . TRP A 1 123 ? 3.22300   -27.55500 -10.96100 1.000 12.96033 ? 123 TRP A CD2 1 
ATOM   947  N NE1 . TRP A 1 123 ? 2.97900   -29.55400 -9.97800  1.000 9.80033  ? 123 TRP A NE1 1 
ATOM   948  C CE2 . TRP A 1 123 ? 2.31400   -28.60200 -10.70600 1.000 7.88033  ? 123 TRP A CE2 1 
ATOM   949  C CE3 . TRP A 1 123 ? 2.78500   -26.44200 -11.69400 1.000 12.35033 ? 123 TRP A CE3 1 
ATOM   950  C CZ2 . TRP A 1 123 ? 0.98900   -28.56200 -11.14400 1.000 9.87033  ? 123 TRP A CZ2 1 
ATOM   951  C CZ3 . TRP A 1 123 ? 1.47400   -26.40900 -12.13300 1.000 12.85033 ? 123 TRP A CZ3 1 
ATOM   952  C CH2 . TRP A 1 123 ? 0.59300   -27.46500 -11.86100 1.000 10.16033 ? 123 TRP A CH2 1 
ATOM   953  N N   . ILE A 1 124 ? 8.66900   -26.39300 -11.87200 1.000 13.52033 ? 124 ILE A N   1 
ATOM   954  C CA  . ILE A 1 124 ? 9.67300   -25.35900 -12.10600 1.000 12.77033 ? 124 ILE A CA  1 
ATOM   955  C C   . ILE A 1 124 ? 10.46000  -25.62600 -13.39200 1.000 13.49033 ? 124 ILE A C   1 
ATOM   956  O O   . ILE A 1 124 ? 11.45300  -24.95900 -13.68000 1.000 16.23033 ? 124 ILE A O   1 
ATOM   957  C CB  . ILE A 1 124 ? 10.61900  -25.24200 -10.91600 1.000 11.67033 ? 124 ILE A CB  1 
ATOM   958  C CG1 . ILE A 1 124 ? 11.02700  -26.62500 -10.41900 1.000 6.25033  ? 124 ILE A CG1 1 
ATOM   959  C CG2 . ILE A 1 124 ? 9.92500   -24.48000 -9.79100  1.000 12.96033 ? 124 ILE A CG2 1 
ATOM   960  C CD1 . ILE A 1 124 ? 12.36300  -26.62900 -9.72600  1.000 22.57033 ? 124 ILE A CD1 1 
ATOM   961  N N   . ARG A 1 125 ? 10.00600  -26.60200 -14.16900 1.000 14.79033 ? 125 ARG A N   1 
ATOM   962  C CA  . ARG A 1 125 ? 10.70300  -26.98700 -15.38800 1.000 19.81033 ? 125 ARG A CA  1 
ATOM   963  C C   . ARG A 1 125 ? 10.59300  -25.85700 -16.39800 1.000 16.82033 ? 125 ARG A C   1 
ATOM   964  O O   . ARG A 1 125 ? 9.54700   -25.22800 -16.53300 1.000 13.88033 ? 125 ARG A O   1 
ATOM   965  C CB  . ARG A 1 125 ? 10.13100  -28.29800 -15.95400 1.000 21.13033 ? 125 ARG A CB  1 
ATOM   966  C CG  . ARG A 1 125 ? 10.85600  -28.86100 -17.18600 1.000 29.75033 ? 125 ARG A CG  1 
ATOM   967  C CD  . ARG A 1 125 ? 10.22300  -28.37500 -18.49900 1.000 42.75033 ? 125 ARG A CD  1 
ATOM   968  N NE  . ARG A 1 125 ? 10.43400  -29.27900 -19.62800 1.000 45.30033 ? 125 ARG A NE  1 
ATOM   969  C CZ  . ARG A 1 125 ? 10.01000  -30.53600 -19.69100 1.000 52.51033 ? 125 ARG A CZ  1 
ATOM   970  N NH1 . ARG A 1 125 ? 9.32100   -31.08900 -18.70500 1.000 50.71033 ? 125 ARG A NH1 1 
ATOM   971  N NH2 . ARG A 1 125 ? 10.27500  -31.25400 -20.78000 1.000 52.61033 ? 125 ARG A NH2 1 
ATOM   972  N N   . GLY A 1 126 ? 11.69300  -25.58900 -17.08900 1.000 19.31033 ? 126 GLY A N   1 
ATOM   973  C CA  . GLY A 1 126 ? 11.70800  -24.55900 -18.10200 1.000 22.95033 ? 126 GLY A CA  1 
ATOM   974  C C   . GLY A 1 126 ? 11.85100  -23.15400 -17.55500 1.000 23.15033 ? 126 GLY A C   1 
ATOM   975  O O   . GLY A 1 126 ? 12.06400  -22.21600 -18.32600 1.000 27.15033 ? 126 GLY A O   1 
ATOM   976  N N   . CYS A 1 127 ? 11.74200  -22.99300 -16.23700 1.000 20.49033 ? 127 CYS A N   1 
ATOM   977  C CA  . CYS A 1 127 ? 11.87700  -21.66100 -15.64000 1.000 19.62033 ? 127 CYS A CA  1 
ATOM   978  C C   . CYS A 1 127 ? 13.32200  -21.22700 -15.44800 1.000 19.76033 ? 127 CYS A C   1 
ATOM   979  O O   . CYS A 1 127 ? 14.19100  -22.00700 -15.07500 1.000 16.56033 ? 127 CYS A O   1 
ATOM   980  C CB  . CYS A 1 127 ? 11.14900  -21.58000 -14.30000 1.000 22.11033 ? 127 CYS A CB  1 
ATOM   981  S SG  . CYS A 1 127 ? 9.45300   -22.13300 -14.37900 1.000 12.62033 ? 127 CYS A SG  1 
ATOM   982  N N   . ARG A 1 128 ? 13.56000  -19.94900 -15.69300 1.000 15.16033 ? 128 ARG A N   1 
ATOM   983  C CA  . ARG A 1 128 ? 14.88300  -19.40700 -15.52600 1.000 24.86033 ? 128 ARG A CA  1 
ATOM   984  C C   . ARG A 1 128 ? 15.00400  -18.94300 -14.08800 1.000 22.75033 ? 128 ARG A C   1 
ATOM   985  O O   . ARG A 1 128 ? 14.58700  -17.83900 -13.74600 1.000 30.13033 ? 128 ARG A O   1 
ATOM   986  C CB  . ARG A 1 128 ? 15.12900  -18.27700 -16.52000 1.000 14.32033 ? 128 ARG A CB  1 
ATOM   987  C CG  . ARG A 1 128 ? 16.53300  -17.76100 -16.49900 1.000 18.48033 ? 128 ARG A CG  1 
ATOM   988  C CD  . ARG A 1 128 ? 16.80900  -17.00300 -17.76900 1.000 22.20033 ? 128 ARG A CD  1 
ATOM   989  N NE  . ARG A 1 128 ? 15.64000  -16.23500 -18.17800 1.000 31.28033 ? 128 ARG A NE  1 
ATOM   990  C CZ  . ARG A 1 128 ? 15.12700  -16.24200 -19.40100 1.000 33.34033 ? 128 ARG A CZ  1 
ATOM   991  N NH1 . ARG A 1 128 ? 15.63000  -17.00900 -20.35900 1.000 29.17033 ? 128 ARG A NH1 1 
ATOM   992  N NH2 . ARG A 1 128 ? 14.08300  -15.46100 -19.66900 1.000 23.03033 ? 128 ARG A NH2 1 
ATOM   993  N N   . LEU A 1 129 ? 15.55100  -19.80800 -13.24100 1.000 18.26033 ? 129 LEU A N   1 
ATOM   994  C CA  . LEU A 1 129 ? 15.60900  -19.52700 -11.81100 1.000 32.63033 ? 129 LEU A CA  1 
ATOM   995  C C   . LEU A 1 129 ? 16.96100  -18.99000 -11.35600 1.000 33.56033 ? 129 LEU A C   1 
ATOM   996  O O   . LEU A 1 129 ? 17.00600  -18.17400 -10.43800 1.000 30.85033 ? 129 LEU A O   1 
ATOM   997  C CB  . LEU A 1 129 ? 15.27100  -20.78100 -11.01700 1.000 25.35033 ? 129 LEU A CB  1 
ATOM   998  C CG  . LEU A 1 129 ? 13.79200  -21.14800 -10.94200 1.000 24.03033 ? 129 LEU A CG  1 
ATOM   999  C CD1 . LEU A 1 129 ? 13.58200  -22.05900 -9.76400  1.000 19.24033 ? 129 LEU A CD1 1 
ATOM   1000 C CD2 . LEU A 1 129 ? 12.92800  -19.90700 -10.83100 1.000 20.88033 ? 129 LEU A CD2 1 
ATOM   1001 O OXT . LEU A 1 129 ? 18.02100  -19.35100 -11.87300 1.000 38.68033 ? 129 LEU A OXT 1 
HETATM 1002 O O   . HOH B 2 .   ? -1.46500  -10.28200 15.31500  1.000 21.47033 ? 201 HOH A O   1 
HETATM 1003 O O   . HOH B 2 .   ? 3.82300   -12.56400 8.96800   1.000 22.58033 ? 202 HOH A O   1 
HETATM 1004 O O   . HOH B 2 .   ? 13.99000  -28.53200 -0.58700  1.000 30.50033 ? 203 HOH A O   1 
HETATM 1005 O O   . HOH B 2 .   ? 3.31600   -22.17600 -2.45700  1.000 30.53033 ? 204 HOH A O   1 
HETATM 1006 O O   . HOH B 2 .   ? -10.06200 -11.50600 -5.16300  1.000 28.89033 ? 205 HOH A O   1 
HETATM 1007 O O   . HOH B 2 .   ? -18.959   -26.714   8.847     1.000 30.35033 ? 206 HOH A O   1 
HETATM 1008 O O   . HOH B 2 .   ? -1.42000  -13.60100 -1.81000  1.000 6.38033  ? 207 HOH A O   1 
HETATM 1009 O O   . HOH B 2 .   ? 0.22400   -36.77400 5.22100   1.000 22.80033 ? 208 HOH A O   1 
HETATM 1010 O O   . HOH B 2 .   ? 15.33800  -16.77800 -22.54100 1.000 27.61033 ? 209 HOH A O   1 
HETATM 1011 O O   . HOH B 2 .   ? 15.86500  -16.41400 -12.60900 1.000 22.29033 ? 210 HOH A O   1 
HETATM 1012 O O   . HOH B 2 .   ? -9.92700  -18.71400 7.53400   1.000 16.65033 ? 211 HOH A O   1 
HETATM 1013 O O   . HOH B 2 .   ? -5.51500  -35.39100 2.96500   1.000 17.71033 ? 212 HOH A O   1 
HETATM 1014 O O   . HOH B 2 .   ? 2.72000   -32.60200 -9.30300  1.000 10.92033 ? 213 HOH A O   1 
HETATM 1015 O O   . HOH B 2 .   ? -1.01700  -21.40700 19.26200  1.000 29.18033 ? 214 HOH A O   1 
HETATM 1016 O O   . HOH B 2 .   ? 12.06400  -34.35500 -12.06900 1.000 21.70033 ? 215 HOH A O   1 
HETATM 1017 O O   . HOH B 2 .   ? -4.88100  -4.74900  2.95800   1.000 32.04033 ? 216 HOH A O   1 
HETATM 1018 O O   . HOH B 2 .   ? 5.74100   -5.72800  -4.89500  1.000 24.29033 ? 217 HOH A O   1 
HETATM 1019 O O   . HOH B 2 .   ? 4.28200   -9.09100  -7.75700  1.000 20.96033 ? 218 HOH A O   1 
HETATM 1020 O O   . HOH B 2 .   ? 6.98000   -35.22400 -4.56500  1.000 14.35033 ? 219 HOH A O   1 
HETATM 1021 O O   . HOH B 2 .   ? -15.29000 -18.66100 15.24500  1.000 24.22033 ? 220 HOH A O   1 
HETATM 1022 O O   . HOH B 2 .   ? -7.55200  -24.94800 -7.55900  1.000 17.80033 ? 221 HOH A O   1 
HETATM 1023 O O   . HOH B 2 .   ? 14.14600  -11.53000 -1.64200  1.000 24.52033 ? 222 HOH A O   1 
HETATM 1024 O O   . HOH B 2 .   ? 11.95100  -18.41200 -16.79800 1.000 24.02033 ? 223 HOH A O   1 
HETATM 1025 O O   . HOH B 2 .   ? -11.50100 -22.53400 1.56900   1.000 23.06033 ? 224 HOH A O   1 
HETATM 1026 O O   . HOH B 2 .   ? -7.70700  -24.34500 0.74500   1.000 12.45033 ? 225 HOH A O   1 
HETATM 1027 O O   . HOH B 2 .   ? -8.54100  -23.57500 -3.24800  1.000 14.23033 ? 226 HOH A O   1 
HETATM 1028 O O   . HOH B 2 .   ? -13.41100 -11.52800 4.28000   1.000 9.43033  ? 227 HOH A O   1 
HETATM 1029 O O   . HOH B 2 .   ? 18.20300  -25.20600 -4.13700  1.000 16.95033 ? 228 HOH A O   1 
HETATM 1030 O O   . HOH B 2 .   ? -2.09100  -33.05400 -8.84700  1.000 15.62033 ? 229 HOH A O   1 
HETATM 1031 O O   . HOH B 2 .   ? -0.91400  -35.93000 -3.57100  1.000 16.15033 ? 230 HOH A O   1 
HETATM 1032 O O   . HOH B 2 .   ? 2.36200   -26.95300 9.35800   1.000 15.26033 ? 231 HOH A O   1 
HETATM 1033 O O   . HOH B 2 .   ? -13.87600 -15.06300 7.64500   1.000 5.33033  ? 232 HOH A O   1 
HETATM 1034 O O   . HOH B 2 .   ? -5.78400  -11.08600 -9.50500  1.000 11.15033 ? 233 HOH A O   1 
HETATM 1035 O O   . HOH B 2 .   ? -1.79800  -16.38100 0.64700   1.000 5.15033  ? 234 HOH A O   1 
HETATM 1036 O O   . HOH B 2 .   ? -8.41800  -18.01900 -8.14000  1.000 14.75033 ? 235 HOH A O   1 
HETATM 1037 O O   . HOH B 2 .   ? -8.81300  -21.24900 -11.34400 1.000 13.07033 ? 236 HOH A O   1 
HETATM 1038 O O   . HOH B 2 .   ? 1.25500   -11.29600 0.16300   1.000 10.64033 ? 237 HOH A O   1 
HETATM 1039 O O   . HOH B 2 .   ? 0.15800   -11.93600 -1.93000  1.000 12.04033 ? 238 HOH A O   1 
HETATM 1040 O O   . HOH B 2 .   ? -9.55800  -22.60000 -1.61800  1.000 15.08033 ? 239 HOH A O   1 
HETATM 1041 O O   . HOH B 2 .   ? 11.13900  -29.05400 -6.93800  1.000 11.41033 ? 240 HOH A O   1 
HETATM 1042 O O   . HOH B 2 .   ? 10.52300  -31.52700 4.96700   1.000 7.27033  ? 241 HOH A O   1 
HETATM 1043 O O   . HOH B 2 .   ? 14.77900  -19.89600 -2.01300  1.000 18.98033 ? 242 HOH A O   1 
HETATM 1044 O O   . HOH B 2 .   ? -3.88600  -21.63300 6.50500   1.000 6.08033  ? 243 HOH A O   1 
HETATM 1045 O O   . HOH B 2 .   ? 11.322    -31.392   -1.223    1.000 10.75033 ? 244 HOH A O   1 
HETATM 1046 O O   . HOH B 2 .   ? 0.94400   -38.54900 -5.00400  1.000 11.33033 ? 245 HOH A O   1 
HETATM 1047 O O   . HOH B 2 .   ? 8.09300   -31.51600 7.18800   1.000 3.07033  ? 246 HOH A O   1 
HETATM 1048 O O   . HOH B 2 .   ? -3.79000  -7.51700  12.26500  1.000 8.39033  ? 247 HOH A O   1 
HETATM 1049 O O   . HOH B 2 .   ? -4.76200  -32.93900 -9.12600  1.000 10.34033 ? 248 HOH A O   1 
HETATM 1050 O O   . HOH B 2 .   ? 3.50500   -8.32800  0.48000   1.000 10.45033 ? 249 HOH A O   1 
HETATM 1051 O O   . HOH B 2 .   ? -16.10500 -18.50800 -0.76900  1.000 7.90033  ? 250 HOH A O   1 
HETATM 1052 O O   . HOH B 2 .   ? -12.63700 -12.63700 18.78000  0.50  23.22033 ? 251 HOH A O   1 
HETATM 1053 O O   . HOH B 2 .   ? -9.82000  -13.12500 11.91400  1.000 13.28033 ? 252 HOH A O   1 
HETATM 1054 O O   . HOH B 2 .   ? 6.71000   -28.68400 10.29300  1.000 19.05033 ? 253 HOH A O   1 
HETATM 1055 O O   . HOH B 2 .   ? -3.25200  -10.82000 -13.67700 1.000 12.35033 ? 254 HOH A O   1 
HETATM 1056 O O   . HOH B 2 .   ? 3.21000   -12.58000 14.48800  1.000 20.02033 ? 255 HOH A O   1 
HETATM 1057 O O   . HOH B 2 .   ? 15.23400  -24.23300 5.78100   1.000 10.40033 ? 256 HOH A O   1 
HETATM 1058 O O   . HOH B 2 .   ? 2.82200   -11.77300 6.95400   1.000 14.79033 ? 257 HOH A O   1 
HETATM 1059 O O   . HOH B 2 .   ? -17.15700 -21.81100 13.93600  1.000 21.68033 ? 258 HOH A O   1 
HETATM 1060 O O   . HOH B 2 .   ? 3.87900   -39.34100 -8.69700  1.000 29.89033 ? 259 HOH A O   1 
HETATM 1061 O O   . HOH B 2 .   ? -8.88600  -6.36400  15.29800  1.000 13.84033 ? 260 HOH A O   1 
HETATM 1062 O O   . HOH B 2 .   ? -15.61500 -18.13200 13.13500  1.000 19.82033 ? 261 HOH A O   1 
HETATM 1063 O O   . HOH B 2 .   ? 14.37500  -27.75000 -14.19200 1.000 24.42033 ? 262 HOH A O   1 
HETATM 1064 O O   . HOH B 2 .   ? -7.47800  -12.78400 14.41700  1.000 19.79033 ? 263 HOH A O   1 
HETATM 1065 O O   . HOH B 2 .   ? -3.02100  -20.45700 -13.54200 1.000 17.61033 ? 264 HOH A O   1 
HETATM 1066 O O   . HOH B 2 .   ? 0.81000   -20.34100 -15.30400 1.000 24.33033 ? 265 HOH A O   1 
HETATM 1067 O O   . HOH B 2 .   ? 8.63600   -14.66700 8.13900   1.000 24.26033 ? 266 HOH A O   1 
HETATM 1068 O O   . HOH B 2 .   ? -10.67300 -8.64000  15.40800  1.000 19.96033 ? 267 HOH A O   1 
HETATM 1069 O O   . HOH B 2 .   ? 5.91200   -10.42400 -5.41900  1.000 19.34033 ? 268 HOH A O   1 
HETATM 1070 O O   . HOH B 2 .   ? -19.018   -10.283   6.688     1.000 12.34033 ? 269 HOH A O   1 
HETATM 1071 O O   . HOH B 2 .   ? -15.98100 -19.30900 17.78600  1.000 23.36033 ? 270 HOH A O   1 
HETATM 1072 O O   . HOH B 2 .   ? -11.66600 -11.91800 13.96400  1.000 9.78033  ? 271 HOH A O   1 
HETATM 1073 O O   . HOH B 2 .   ? -2.201    -4.518    -3.115    1.000 27.81033 ? 272 HOH A O   1 
HETATM 1074 O O   . HOH B 2 .   ? -10.324   -5.571    12.125    1.000 22.45033 ? 273 HOH A O   1 
HETATM 1075 O O   . HOH B 2 .   ? -7.44100  -8.29800  16.41000  1.000 27.07033 ? 274 HOH A O   1 
HETATM 1076 O O   . HOH B 2 .   ? -8.38300  -22.02400 -7.54100  1.000 15.59033 ? 275 HOH A O   1 
HETATM 1077 O O   . HOH B 2 .   ? -16.23400 -16.23400 0.00000   0.50  9.42033  ? 276 HOH A O   1 
HETATM 1078 O O   . HOH B 2 .   ? 11.87800  -16.93900 9.00000   1.000 23.06033 ? 277 HOH A O   1 
HETATM 1079 O O   . HOH B 2 .   ? 9.875     -16.049   -15.551   1.000 19.71033 ? 278 HOH A O   1 
HETATM 1080 O O   . HOH B 2 .   ? 4.29800   -9.42900  6.58900   1.000 18.74033 ? 279 HOH A O   1 
HETATM 1081 O O   . HOH B 2 .   ? 4.74500   -5.48900  0.73200   1.000 18.30033 ? 280 HOH A O   1 
HETATM 1082 O O   . HOH B 2 .   ? -1.81600  -36.37000 6.48100   1.000 20.81033 ? 281 HOH A O   1 
HETATM 1083 O O   . HOH B 2 .   ? -18.37100 -19.83300 -0.32700  1.000 18.93033 ? 282 HOH A O   1 
HETATM 1084 O O   . HOH B 2 .   ? -9.53100  -18.55100 -10.27000 1.000 32.89033 ? 283 HOH A O   1 
HETATM 1085 O O   . HOH B 2 .   ? -9.12400  -10.42800 17.96800  1.000 29.64033 ? 284 HOH A O   1 
HETATM 1086 O O   . HOH B 2 .   ? 13.15300  -14.32400 7.73700   1.000 23.63033 ? 285 HOH A O   1 
HETATM 1087 O O   . HOH B 2 .   ? -2.74100  -6.56600  18.45100  1.000 10.58033 ? 286 HOH A O   1 
HETATM 1088 O O   . HOH B 2 .   ? -1.68900  -3.79700  17.47900  1.000 13.00033 ? 287 HOH A O   1 
HETATM 1089 O O   . HOH B 2 .   ? -1.22000  -5.51200  21.84000  1.000 21.80033 ? 288 HOH A O   1 
HETATM 1090 O O   . HOH B 2 .   ? -3.15600  -2.45800  17.86500  1.000 26.10033 ? 289 HOH A O   1 
HETATM 1091 O O   . HOH B 2 .   ? 0.09700   -2.85200  20.78500  1.000 19.86033 ? 290 HOH A O   1 
# 
