data_8Z51
# 
_entry.id   8Z51 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   8Z51         pdb_00008z51 10.2210/pdb8z51/pdb 
WWPDB D_1300045280 ?            ?                   
# 
_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       2025-04-23 
_pdbx_audit_revision_history.part_number         ? 
# 
_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                        8Z51 
_pdbx_database_status.recvd_initial_deposition_date   2024-04-18 
_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 
# 
loop_
_pdbx_contact_author.id 
_pdbx_contact_author.email 
_pdbx_contact_author.name_first 
_pdbx_contact_author.name_last 
_pdbx_contact_author.name_mi 
_pdbx_contact_author.role 
_pdbx_contact_author.identifier_ORCID 
4 ncmaiti@iicb.res.in      Nakul  Maiti Chandra 'principal investigator/group leader' 0000-0002-8498-6502 
5 saumen_datta@iicb.res.in Saumen Datta ?       'principal investigator/group leader' 0000-0002-3638-9383 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Roy, A.'         1 ? 
'Khanppnavar, B.' 2 ? 
'Dolui, S.'       3 ? 
'Datta, S.'       4 ? 
'Maiti, N.C.'     5 ? 
# 
_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                     'Hen Egg-White Lysozyme (HEWL) complexed with Emetine' 
_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 'Roy, A.'         1 ? 
primary 'Khanppnavar, B.' 2 ? 
primary 'Dolui, S.'       3 ? 
primary 'Datta, S.'       4 ? 
primary 'Maiti, N.C.'     5 ? 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     nat 'Lysozyme C' 14331.160 1   3.2.1.17 ? ? ? 
2 non-polymer syn emetine      480.639   1   ?        ? ? ? 
3 water       nat water        18.015    172 ?        ? ? ? 
# 
_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         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 emetine 34G 
3 water   HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   LYS n 
1 2   VAL n 
1 3   PHE n 
1 4   GLY n 
1 5   ARG n 
1 6   CYS n 
1 7   GLU n 
1 8   LEU n 
1 9   ALA n 
1 10  ALA n 
1 11  ALA n 
1 12  MET n 
1 13  LYS n 
1 14  ARG n 
1 15  HIS n 
1 16  GLY n 
1 17  LEU n 
1 18  ASP n 
1 19  ASN n 
1 20  TYR n 
1 21  ARG n 
1 22  GLY n 
1 23  TYR n 
1 24  SER n 
1 25  LEU n 
1 26  GLY n 
1 27  ASN n 
1 28  TRP n 
1 29  VAL n 
1 30  CYS n 
1 31  ALA n 
1 32  ALA n 
1 33  LYS n 
1 34  PHE n 
1 35  GLU n 
1 36  SER n 
1 37  ASN n 
1 38  PHE n 
1 39  ASN n 
1 40  THR n 
1 41  GLN n 
1 42  ALA n 
1 43  THR n 
1 44  ASN n 
1 45  ARG n 
1 46  ASN n 
1 47  THR n 
1 48  ASP n 
1 49  GLY n 
1 50  SER n 
1 51  THR n 
1 52  ASP n 
1 53  TYR n 
1 54  GLY n 
1 55  ILE n 
1 56  LEU n 
1 57  GLN n 
1 58  ILE n 
1 59  ASN n 
1 60  SER n 
1 61  ARG n 
1 62  TRP n 
1 63  TRP n 
1 64  CYS n 
1 65  ASN n 
1 66  ASP n 
1 67  GLY n 
1 68  ARG n 
1 69  THR n 
1 70  PRO n 
1 71  GLY n 
1 72  SER n 
1 73  ARG n 
1 74  ASN n 
1 75  LEU n 
1 76  CYS n 
1 77  ASN n 
1 78  ILE n 
1 79  PRO n 
1 80  CYS n 
1 81  SER n 
1 82  ALA n 
1 83  LEU n 
1 84  LEU n 
1 85  SER n 
1 86  SER n 
1 87  ASP n 
1 88  ILE n 
1 89  THR n 
1 90  ALA n 
1 91  SER n 
1 92  VAL n 
1 93  ASN n 
1 94  CYS n 
1 95  ALA n 
1 96  LYS n 
1 97  LYS n 
1 98  ILE n 
1 99  VAL n 
1 100 SER n 
1 101 ASP n 
1 102 GLY n 
1 103 ASN n 
1 104 GLY n 
1 105 MET n 
1 106 ASN n 
1 107 ALA n 
1 108 TRP n 
1 109 VAL n 
1 110 ALA n 
1 111 TRP n 
1 112 ARG n 
1 113 ASN n 
1 114 ARG n 
1 115 CYS n 
1 116 LYS n 
1 117 GLY n 
1 118 THR n 
1 119 ASP n 
1 120 VAL n 
1 121 GLN n 
1 122 ALA n 
1 123 TRP n 
1 124 ILE n 
1 125 ARG n 
1 126 GLY n 
1 127 CYS n 
1 128 ARG n 
1 129 LEU n 
# 
_entity_src_nat.entity_id                  1 
_entity_src_nat.pdbx_src_id                1 
_entity_src_nat.pdbx_alt_source_flag       sample 
_entity_src_nat.pdbx_beg_seq_num           1 
_entity_src_nat.pdbx_end_seq_num           129 
_entity_src_nat.common_name                chicken 
_entity_src_nat.pdbx_organism_scientific   'Gallus gallus' 
_entity_src_nat.pdbx_ncbi_taxonomy_id      9031 
_entity_src_nat.genus                      ? 
_entity_src_nat.species                    ? 
_entity_src_nat.strain                     ? 
_entity_src_nat.tissue                     ? 
_entity_src_nat.tissue_fraction            ? 
_entity_src_nat.pdbx_secretion             ? 
_entity_src_nat.pdbx_fragment              ? 
_entity_src_nat.pdbx_variant               ? 
_entity_src_nat.pdbx_cell_line             ? 
_entity_src_nat.pdbx_atcc                  ? 
_entity_src_nat.pdbx_cellular_location     ? 
_entity_src_nat.pdbx_organ                 ? 
_entity_src_nat.pdbx_organelle             ? 
_entity_src_nat.pdbx_cell                  ? 
_entity_src_nat.pdbx_plasmid_name          ? 
_entity_src_nat.pdbx_plasmid_details       ? 
_entity_src_nat.details                    ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
34G non-polymer         . emetine         "(3beta,14beta)-6',7',10,11-tetramethoxyemetan" 'C29 H40 N2 O4'  480.639 
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 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        34G 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   34G 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 34G 1   201 1   34G 34G A . 
C 3 HOH 1   301 1   HOH HOH A . 
C 3 HOH 2   302 43  HOH HOH A . 
C 3 HOH 3   303 96  HOH HOH A . 
C 3 HOH 4   304 159 HOH HOH A . 
C 3 HOH 5   305 104 HOH HOH A . 
C 3 HOH 6   306 59  HOH HOH A . 
C 3 HOH 7   307 178 HOH HOH A . 
C 3 HOH 8   308 157 HOH HOH A . 
C 3 HOH 9   309 77  HOH HOH A . 
C 3 HOH 10  310 180 HOH HOH A . 
C 3 HOH 11  311 177 HOH HOH A . 
C 3 HOH 12  312 26  HOH HOH A . 
C 3 HOH 13  313 53  HOH HOH A . 
C 3 HOH 14  314 45  HOH HOH A . 
C 3 HOH 15  315 55  HOH HOH A . 
C 3 HOH 16  316 123 HOH HOH A . 
C 3 HOH 17  317 57  HOH HOH A . 
C 3 HOH 18  318 78  HOH HOH A . 
C 3 HOH 19  319 94  HOH HOH A . 
C 3 HOH 20  320 162 HOH HOH A . 
C 3 HOH 21  321 58  HOH HOH A . 
C 3 HOH 22  322 98  HOH HOH A . 
C 3 HOH 23  323 181 HOH HOH A . 
C 3 HOH 24  324 39  HOH HOH A . 
C 3 HOH 25  325 18  HOH HOH A . 
C 3 HOH 26  326 83  HOH HOH A . 
C 3 HOH 27  327 120 HOH HOH A . 
C 3 HOH 28  328 23  HOH HOH A . 
C 3 HOH 29  329 49  HOH HOH A . 
C 3 HOH 30  330 112 HOH HOH A . 
C 3 HOH 31  331 2   HOH HOH A . 
C 3 HOH 32  332 52  HOH HOH A . 
C 3 HOH 33  333 48  HOH HOH A . 
C 3 HOH 34  334 89  HOH HOH A . 
C 3 HOH 35  335 87  HOH HOH A . 
C 3 HOH 36  336 15  HOH HOH A . 
C 3 HOH 37  337 111 HOH HOH A . 
C 3 HOH 38  338 118 HOH HOH A . 
C 3 HOH 39  339 70  HOH HOH A . 
C 3 HOH 40  340 79  HOH HOH A . 
C 3 HOH 41  341 138 HOH HOH A . 
C 3 HOH 42  342 116 HOH HOH A . 
C 3 HOH 43  343 4   HOH HOH A . 
C 3 HOH 44  344 128 HOH HOH A . 
C 3 HOH 45  345 100 HOH HOH A . 
C 3 HOH 46  346 76  HOH HOH A . 
C 3 HOH 47  347 28  HOH HOH A . 
C 3 HOH 48  348 121 HOH HOH A . 
C 3 HOH 49  349 37  HOH HOH A . 
C 3 HOH 50  350 114 HOH HOH A . 
C 3 HOH 51  351 187 HOH HOH A . 
C 3 HOH 52  352 41  HOH HOH A . 
C 3 HOH 53  353 29  HOH HOH A . 
C 3 HOH 54  354 22  HOH HOH A . 
C 3 HOH 55  355 62  HOH HOH A . 
C 3 HOH 56  356 25  HOH HOH A . 
C 3 HOH 57  357 33  HOH HOH A . 
C 3 HOH 58  358 168 HOH HOH A . 
C 3 HOH 59  359 93  HOH HOH A . 
C 3 HOH 60  360 35  HOH HOH A . 
C 3 HOH 61  361 14  HOH HOH A . 
C 3 HOH 62  362 115 HOH HOH A . 
C 3 HOH 63  363 65  HOH HOH A . 
C 3 HOH 64  364 84  HOH HOH A . 
C 3 HOH 65  365 20  HOH HOH A . 
C 3 HOH 66  366 5   HOH HOH A . 
C 3 HOH 67  367 133 HOH HOH A . 
C 3 HOH 68  368 197 HOH HOH A . 
C 3 HOH 69  369 72  HOH HOH A . 
C 3 HOH 70  370 17  HOH HOH A . 
C 3 HOH 71  371 7   HOH HOH A . 
C 3 HOH 72  372 166 HOH HOH A . 
C 3 HOH 73  373 13  HOH HOH A . 
C 3 HOH 74  374 16  HOH HOH A . 
C 3 HOH 75  375 31  HOH HOH A . 
C 3 HOH 76  376 63  HOH HOH A . 
C 3 HOH 77  377 171 HOH HOH A . 
C 3 HOH 78  378 46  HOH HOH A . 
C 3 HOH 79  379 82  HOH HOH A . 
C 3 HOH 80  380 34  HOH HOH A . 
C 3 HOH 81  381 183 HOH HOH A . 
C 3 HOH 82  382 10  HOH HOH A . 
C 3 HOH 83  383 73  HOH HOH A . 
C 3 HOH 84  384 85  HOH HOH A . 
C 3 HOH 85  385 61  HOH HOH A . 
C 3 HOH 86  386 38  HOH HOH A . 
C 3 HOH 87  387 172 HOH HOH A . 
C 3 HOH 88  388 195 HOH HOH A . 
C 3 HOH 89  389 97  HOH HOH A . 
C 3 HOH 90  390 67  HOH HOH A . 
C 3 HOH 91  391 101 HOH HOH A . 
C 3 HOH 92  392 75  HOH HOH A . 
C 3 HOH 93  393 32  HOH HOH A . 
C 3 HOH 94  394 92  HOH HOH A . 
C 3 HOH 95  395 40  HOH HOH A . 
C 3 HOH 96  396 27  HOH HOH A . 
C 3 HOH 97  397 19  HOH HOH A . 
C 3 HOH 98  398 99  HOH HOH A . 
C 3 HOH 99  399 66  HOH HOH A . 
C 3 HOH 100 400 110 HOH HOH A . 
C 3 HOH 101 401 146 HOH HOH A . 
C 3 HOH 102 402 129 HOH HOH A . 
C 3 HOH 103 403 80  HOH HOH A . 
C 3 HOH 104 404 60  HOH HOH A . 
C 3 HOH 105 405 51  HOH HOH A . 
C 3 HOH 106 406 9   HOH HOH A . 
C 3 HOH 107 407 143 HOH HOH A . 
C 3 HOH 108 408 56  HOH HOH A . 
C 3 HOH 109 409 194 HOH HOH A . 
C 3 HOH 110 410 170 HOH HOH A . 
C 3 HOH 111 411 36  HOH HOH A . 
C 3 HOH 112 412 68  HOH HOH A . 
C 3 HOH 113 413 151 HOH HOH A . 
C 3 HOH 114 414 154 HOH HOH A . 
C 3 HOH 115 415 21  HOH HOH A . 
C 3 HOH 116 416 90  HOH HOH A . 
C 3 HOH 117 417 189 HOH HOH A . 
C 3 HOH 118 418 30  HOH HOH A . 
C 3 HOH 119 419 50  HOH HOH A . 
C 3 HOH 120 420 3   HOH HOH A . 
C 3 HOH 121 421 88  HOH HOH A . 
C 3 HOH 122 422 6   HOH HOH A . 
C 3 HOH 123 423 199 HOH HOH A . 
C 3 HOH 124 424 169 HOH HOH A . 
C 3 HOH 125 425 11  HOH HOH A . 
C 3 HOH 126 426 102 HOH HOH A . 
C 3 HOH 127 427 156 HOH HOH A . 
C 3 HOH 128 428 147 HOH HOH A . 
C 3 HOH 129 429 185 HOH HOH A . 
C 3 HOH 130 430 141 HOH HOH A . 
C 3 HOH 131 431 126 HOH HOH A . 
C 3 HOH 132 432 193 HOH HOH A . 
C 3 HOH 133 433 139 HOH HOH A . 
C 3 HOH 134 434 175 HOH HOH A . 
C 3 HOH 135 435 106 HOH HOH A . 
C 3 HOH 136 436 132 HOH HOH A . 
C 3 HOH 137 437 12  HOH HOH A . 
C 3 HOH 138 438 42  HOH HOH A . 
C 3 HOH 139 439 54  HOH HOH A . 
C 3 HOH 140 440 148 HOH HOH A . 
C 3 HOH 141 441 176 HOH HOH A . 
C 3 HOH 142 442 103 HOH HOH A . 
C 3 HOH 143 443 124 HOH HOH A . 
C 3 HOH 144 444 186 HOH HOH A . 
C 3 HOH 145 445 163 HOH HOH A . 
C 3 HOH 146 446 164 HOH HOH A . 
C 3 HOH 147 447 137 HOH HOH A . 
C 3 HOH 148 448 44  HOH HOH A . 
C 3 HOH 149 449 107 HOH HOH A . 
C 3 HOH 150 450 74  HOH HOH A . 
C 3 HOH 151 451 109 HOH HOH A . 
C 3 HOH 152 452 142 HOH HOH A . 
C 3 HOH 153 453 179 HOH HOH A . 
C 3 HOH 154 454 198 HOH HOH A . 
C 3 HOH 155 455 192 HOH HOH A . 
C 3 HOH 156 456 130 HOH HOH A . 
C 3 HOH 157 457 174 HOH HOH A . 
C 3 HOH 158 458 69  HOH HOH A . 
C 3 HOH 159 459 184 HOH HOH A . 
C 3 HOH 160 460 119 HOH HOH A . 
C 3 HOH 161 461 91  HOH HOH A . 
C 3 HOH 162 462 105 HOH HOH A . 
C 3 HOH 163 463 47  HOH HOH A . 
C 3 HOH 164 464 95  HOH HOH A . 
C 3 HOH 165 465 149 HOH HOH A . 
C 3 HOH 166 466 131 HOH HOH A . 
C 3 HOH 167 467 167 HOH HOH A . 
C 3 HOH 168 468 155 HOH HOH A . 
C 3 HOH 169 469 113 HOH HOH A . 
C 3 HOH 170 470 81  HOH HOH A . 
C 3 HOH 171 471 86  HOH HOH A . 
C 3 HOH 172 472 71  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_4459 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? 'PROTEUM PLUS' ? ? ? .         2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? 'PROTEUM PLUS' ? ? ? .         3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER         ? ? ? .         4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8Z51 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     79.191 
_cell.length_a_esd                 ? 
_cell.length_b                     79.191 
_cell.length_b_esd                 ? 
_cell.length_c                     35.335 
_cell.length_c_esd                 ? 
_cell.volume                       221593.364 
_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                         8Z51 
_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                   8Z51 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             1.93 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          36.36 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '0.1M Na-acetate pH 4.5, 6.5 %(w/v) NaCl' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293.15 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'Bruker PHOTON III' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2019-04-14 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.5 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      'ROTATING ANODE' 
_diffrn_source.target                      ? 
_diffrn_source.type                        'BRUKER X8 PROTEUM' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.5 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_synchrotron_site       ? 
# 
_reflns.B_iso_Wilson_estimate                          10.51 
_reflns.entry_id                                       8Z51 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.5 
_reflns.d_resolution_low                               21.96 
_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                                     18512 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.8 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                13 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          17.2 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.104 
_reflns.pdbx_Rpim_I_all                                0.025 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.1 
_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                                    1.5 
_reflns_shell.d_res_low                                     1.55 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           2.1 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             3447 
_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                               6.2 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               0.731 
_reflns_shell.pdbx_Rpim_I_all                               0.287 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.709 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          99.8 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.671 
_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                               15.53 
_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                                 8Z51 
_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                            1.50 
_refine.ls_d_res_low                             21.96 
_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                     18512 
_refine.ls_number_reflns_R_free                  2671 
_refine.ls_number_reflns_R_work                  31657 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.82 
_refine.ls_percent_reflns_R_free                 7.78 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1780 
_refine.ls_R_factor_R_free                       0.2134 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1750 
_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                          1.34 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             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                 20.3152 
_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                            0.1515 
_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                       1.50 
_refine_hist.d_res_low                        21.96 
_refine_hist.number_atoms_solvent             172 
_refine_hist.number_atoms_total               1208 
_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         35 
_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' ? 0.0065  ? 1097 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.2573  ? 1494 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.1195  ? 155  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0076  ? 193  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 11.8218 ? 174  ? 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' 1.50 1.53  . . 143 1678 99.89  . . . . 0.2387 . . . . . . . . . . . 0.2562 
'X-RAY DIFFRACTION' 1.53 1.56  . . 137 1658 99.72  . . . . 0.2293 . . . . . . . . . . . 0.2681 
'X-RAY DIFFRACTION' 1.56 1.59  . . 145 1673 100.00 . . . . 0.2254 . . . . . . . . . . . 0.2424 
'X-RAY DIFFRACTION' 1.59 1.62  . . 137 1649 100.00 . . . . 0.2033 . . . . . . . . . . . 0.2371 
'X-RAY DIFFRACTION' 1.62 1.66  . . 144 1660 100.00 . . . . 0.2119 . . . . . . . . . . . 0.2158 
'X-RAY DIFFRACTION' 1.66 1.70  . . 141 1713 100.00 . . . . 0.1978 . . . . . . . . . . . 0.2775 
'X-RAY DIFFRACTION' 1.70 1.75  . . 134 1650 100.00 . . . . 0.1957 . . . . . . . . . . . 0.2998 
'X-RAY DIFFRACTION' 1.75 1.80  . . 141 1662 100.00 . . . . 0.1891 . . . . . . . . . . . 0.2397 
'X-RAY DIFFRACTION' 1.80 1.86  . . 141 1676 99.94  . . . . 0.1834 . . . . . . . . . . . 0.2704 
'X-RAY DIFFRACTION' 1.86 1.92  . . 142 1673 100.00 . . . . 0.1757 . . . . . . . . . . . 0.2322 
'X-RAY DIFFRACTION' 1.92 2.00  . . 139 1669 100.00 . . . . 0.1693 . . . . . . . . . . . 0.1634 
'X-RAY DIFFRACTION' 2.00 2.09  . . 130 1660 100.00 . . . . 0.1660 . . . . . . . . . . . 0.2080 
'X-RAY DIFFRACTION' 2.09 2.20  . . 144 1687 99.95  . . . . 0.1710 . . . . . . . . . . . 0.2180 
'X-RAY DIFFRACTION' 2.20 2.34  . . 144 1664 100.00 . . . . 0.1618 . . . . . . . . . . . 0.2094 
'X-RAY DIFFRACTION' 2.34 2.52  . . 141 1652 100.00 . . . . 0.1618 . . . . . . . . . . . 0.2070 
'X-RAY DIFFRACTION' 2.52 2.77  . . 142 1659 100.00 . . . . 0.1750 . . . . . . . . . . . 0.2011 
'X-RAY DIFFRACTION' 2.77 3.17  . . 142 1695 100.00 . . . . 0.1729 . . . . . . . . . . . 0.2263 
'X-RAY DIFFRACTION' 3.17 3.99  . . 147 1653 99.94  . . . . 0.1469 . . . . . . . . . . . 0.1906 
'X-RAY DIFFRACTION' 4.00 21.96 . . 137 1626 97.19  . . . . 0.1632 . . . . . . . . . . . 0.1698 
# 
_struct.entry_id                     8Z51 
_struct.title                        'Hen Egg-White Lysozyme (HEWL) complexed with Emetine' 
_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        8Z51 
_struct_keywords.text            'Lysozyme, Emetine, dimerization, drug-carrier, HYDROLASE' 
_struct_keywords.pdbx_keywords   HYDROLASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
# 
_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              8Z51 
_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_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0 
_pdbx_struct_oper_list.matrix[1][2]         0.0 
_pdbx_struct_oper_list.matrix[1][3]         0.0 
_pdbx_struct_oper_list.vector[1]            0.0 
_pdbx_struct_oper_list.matrix[2][1]         0.0 
_pdbx_struct_oper_list.matrix[2][2]         1.0 
_pdbx_struct_oper_list.matrix[2][3]         0.0 
_pdbx_struct_oper_list.vector[2]            0.0 
_pdbx_struct_oper_list.matrix[3][1]         0.0 
_pdbx_struct_oper_list.matrix[3][2]         0.0 
_pdbx_struct_oper_list.matrix[3][3]         1.0 
_pdbx_struct_oper_list.vector[3]            0.0 
# 
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 ? ? ? ? ? ? ? 2.029 ? ? 
disulf2 disulf ? ? A CYS 30 SG ? ? ? 1_555 A CYS 115 SG ? ? A CYS 30 A CYS 115 1_555 ? ? ? ? ? ? ? 2.033 ? ? 
disulf3 disulf ? ? A CYS 64 SG ? ? ? 1_555 A CYS 80  SG ? ? A CYS 64 A CYS 80  1_555 ? ? ? ? ? ? ? 2.018 ? ? 
disulf4 disulf ? ? A CYS 76 SG ? ? ? 1_555 A CYS 94  SG ? ? A CYS 76 A CYS 94  1_555 ? ? ? ? ? ? ? 2.040 ? ? 
# 
_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                   8Z51 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   Y 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   OG 
_pdbx_validate_close_contact.auth_asym_id_1   A 
_pdbx_validate_close_contact.auth_comp_id_1   SER 
_pdbx_validate_close_contact.auth_seq_id_1    72 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   O 
_pdbx_validate_close_contact.auth_asym_id_2   A 
_pdbx_validate_close_contact.auth_comp_id_2   HOH 
_pdbx_validate_close_contact.auth_seq_id_2    301 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             2.19 
# 
_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             -145.25 
_pdbx_validate_torsion.psi             26.81 
# 
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 414 ? C HOH . 
2 1 A HOH 461 ? C 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_
_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 
34G CAA  C N N 1   
34G CAJ  C N N 2   
34G CBE  C N S 3   
34G CAQ  C N N 4   
34G NBI  N N N 5   
34G CAN  C N N 6   
34G CAM  C N N 7   
34G CAX  C Y N 8   
34G CAG  C Y N 9   
34G CAZ  C Y N 10  
34G OAT  O N N 11  
34G CAC  C N N 12  
34G CBB  C Y N 13  
34G OAV  O N N 14  
34G CAE  C N N 15  
34G CAI  C Y N 16  
34G CBD  C Y N 17  
34G CBH  C N R 18  
34G CAP  C N N 19  
34G CBF  C N R 20  
34G CAO  C N N 21  
34G CBG  C N S 22  
34G NAR  N N N 23  
34G CAK  C N N 24  
34G CAL  C N N 25  
34G CAW  C Y N 26  
34G CAF  C Y N 27  
34G CBC  C Y N 28  
34G CAH  C Y N 29  
34G CBA  C Y N 30  
34G OAU  O N N 31  
34G CAD  C N N 32  
34G CAY  C Y N 33  
34G OAS  O N N 34  
34G CAB  C N N 35  
34G H1   H N N 36  
34G H2   H N N 37  
34G H3   H N N 38  
34G H4   H N N 39  
34G H5   H N N 40  
34G H6   H N N 41  
34G H7   H N N 42  
34G H8   H N N 43  
34G H10  H N N 44  
34G H11  H N N 45  
34G H12  H N N 46  
34G H13  H N N 47  
34G H14  H N N 48  
34G H15  H N N 49  
34G H16  H N N 50  
34G H17  H N N 51  
34G H18  H N N 52  
34G H19  H N N 53  
34G H20  H N N 54  
34G H21  H N N 55  
34G H22  H N N 56  
34G H23  H N N 57  
34G H24  H N N 58  
34G H25  H N N 59  
34G H26  H N N 60  
34G H27  H N N 61  
34G H28  H N N 62  
34G H29  H N N 63  
34G H31  H N N 64  
34G H32  H N N 65  
34G H33  H N N 66  
34G H34  H N N 67  
34G H35  H N N 68  
34G H36  H N N 69  
34G H37  H N N 70  
34G H38  H N N 71  
34G H39  H N N 72  
34G H40  H N N 73  
34G H41  H N N 74  
34G H42  H N N 75  
ALA N    N N N 76  
ALA CA   C N S 77  
ALA C    C N N 78  
ALA O    O N N 79  
ALA CB   C N N 80  
ALA OXT  O N N 81  
ALA H    H N N 82  
ALA H2   H N N 83  
ALA HA   H N N 84  
ALA HB1  H N N 85  
ALA HB2  H N N 86  
ALA HB3  H N N 87  
ALA HXT  H N N 88  
ARG N    N N N 89  
ARG CA   C N S 90  
ARG C    C N N 91  
ARG O    O N N 92  
ARG CB   C N N 93  
ARG CG   C N N 94  
ARG CD   C N N 95  
ARG NE   N N N 96  
ARG CZ   C N N 97  
ARG NH1  N N N 98  
ARG NH2  N N N 99  
ARG OXT  O N N 100 
ARG H    H N N 101 
ARG H2   H N N 102 
ARG HA   H N N 103 
ARG HB2  H N N 104 
ARG HB3  H N N 105 
ARG HG2  H N N 106 
ARG HG3  H N N 107 
ARG HD2  H N N 108 
ARG HD3  H N N 109 
ARG HE   H N N 110 
ARG HH11 H N N 111 
ARG HH12 H N N 112 
ARG HH21 H N N 113 
ARG HH22 H N N 114 
ARG HXT  H N N 115 
ASN N    N N N 116 
ASN CA   C N S 117 
ASN C    C N N 118 
ASN O    O N N 119 
ASN CB   C N N 120 
ASN CG   C N N 121 
ASN OD1  O N N 122 
ASN ND2  N N N 123 
ASN OXT  O N N 124 
ASN H    H N N 125 
ASN H2   H N N 126 
ASN HA   H N N 127 
ASN HB2  H N N 128 
ASN HB3  H N N 129 
ASN HD21 H N N 130 
ASN HD22 H N N 131 
ASN HXT  H N N 132 
ASP N    N N N 133 
ASP CA   C N S 134 
ASP C    C N N 135 
ASP O    O N N 136 
ASP CB   C N N 137 
ASP CG   C N N 138 
ASP OD1  O N N 139 
ASP OD2  O N N 140 
ASP OXT  O N N 141 
ASP H    H N N 142 
ASP H2   H N N 143 
ASP HA   H N N 144 
ASP HB2  H N N 145 
ASP HB3  H N N 146 
ASP HD2  H N N 147 
ASP HXT  H N N 148 
CYS N    N N N 149 
CYS CA   C N R 150 
CYS C    C N N 151 
CYS O    O N N 152 
CYS CB   C N N 153 
CYS SG   S N N 154 
CYS OXT  O N N 155 
CYS H    H N N 156 
CYS H2   H N N 157 
CYS HA   H N N 158 
CYS HB2  H N N 159 
CYS HB3  H N N 160 
CYS HG   H N N 161 
CYS HXT  H N N 162 
GLN N    N N N 163 
GLN CA   C N S 164 
GLN C    C N N 165 
GLN O    O N N 166 
GLN CB   C N N 167 
GLN CG   C N N 168 
GLN CD   C N N 169 
GLN OE1  O N N 170 
GLN NE2  N N N 171 
GLN OXT  O N N 172 
GLN H    H N N 173 
GLN H2   H N N 174 
GLN HA   H N N 175 
GLN HB2  H N N 176 
GLN HB3  H N N 177 
GLN HG2  H N N 178 
GLN HG3  H N N 179 
GLN HE21 H N N 180 
GLN HE22 H N N 181 
GLN HXT  H N N 182 
GLU N    N N N 183 
GLU CA   C N S 184 
GLU C    C N N 185 
GLU O    O N N 186 
GLU CB   C N N 187 
GLU CG   C N N 188 
GLU CD   C N N 189 
GLU OE1  O N N 190 
GLU OE2  O N N 191 
GLU OXT  O N N 192 
GLU H    H N N 193 
GLU H2   H N N 194 
GLU HA   H N N 195 
GLU HB2  H N N 196 
GLU HB3  H N N 197 
GLU HG2  H N N 198 
GLU HG3  H N N 199 
GLU HE2  H N N 200 
GLU HXT  H N N 201 
GLY N    N N N 202 
GLY CA   C N N 203 
GLY C    C N N 204 
GLY O    O N N 205 
GLY OXT  O N N 206 
GLY H    H N N 207 
GLY H2   H N N 208 
GLY HA2  H N N 209 
GLY HA3  H N N 210 
GLY HXT  H N N 211 
HIS N    N N N 212 
HIS CA   C N S 213 
HIS C    C N N 214 
HIS O    O N N 215 
HIS CB   C N N 216 
HIS CG   C Y N 217 
HIS ND1  N Y N 218 
HIS CD2  C Y N 219 
HIS CE1  C Y N 220 
HIS NE2  N Y N 221 
HIS OXT  O N N 222 
HIS H    H N N 223 
HIS H2   H N N 224 
HIS HA   H N N 225 
HIS HB2  H N N 226 
HIS HB3  H N N 227 
HIS HD1  H N N 228 
HIS HD2  H N N 229 
HIS HE1  H N N 230 
HIS HE2  H N N 231 
HIS HXT  H N N 232 
HOH O    O N N 233 
HOH H1   H N N 234 
HOH H2   H N N 235 
ILE N    N N N 236 
ILE CA   C N S 237 
ILE C    C N N 238 
ILE O    O N N 239 
ILE CB   C N S 240 
ILE CG1  C N N 241 
ILE CG2  C N N 242 
ILE CD1  C N N 243 
ILE OXT  O N N 244 
ILE H    H N N 245 
ILE H2   H N N 246 
ILE HA   H N N 247 
ILE HB   H N N 248 
ILE HG12 H N N 249 
ILE HG13 H N N 250 
ILE HG21 H N N 251 
ILE HG22 H N N 252 
ILE HG23 H N N 253 
ILE HD11 H N N 254 
ILE HD12 H N N 255 
ILE HD13 H N N 256 
ILE HXT  H N N 257 
LEU N    N N N 258 
LEU CA   C N S 259 
LEU C    C N N 260 
LEU O    O N N 261 
LEU CB   C N N 262 
LEU CG   C N N 263 
LEU CD1  C N N 264 
LEU CD2  C N N 265 
LEU OXT  O N N 266 
LEU H    H N N 267 
LEU H2   H N N 268 
LEU HA   H N N 269 
LEU HB2  H N N 270 
LEU HB3  H N N 271 
LEU HG   H N N 272 
LEU HD11 H N N 273 
LEU HD12 H N N 274 
LEU HD13 H N N 275 
LEU HD21 H N N 276 
LEU HD22 H N N 277 
LEU HD23 H N N 278 
LEU HXT  H N N 279 
LYS N    N N N 280 
LYS CA   C N S 281 
LYS C    C N N 282 
LYS O    O N N 283 
LYS CB   C N N 284 
LYS CG   C N N 285 
LYS CD   C N N 286 
LYS CE   C N N 287 
LYS NZ   N N N 288 
LYS OXT  O N N 289 
LYS H    H N N 290 
LYS H2   H N N 291 
LYS HA   H N N 292 
LYS HB2  H N N 293 
LYS HB3  H N N 294 
LYS HG2  H N N 295 
LYS HG3  H N N 296 
LYS HD2  H N N 297 
LYS HD3  H N N 298 
LYS HE2  H N N 299 
LYS HE3  H N N 300 
LYS HZ1  H N N 301 
LYS HZ2  H N N 302 
LYS HZ3  H N N 303 
LYS HXT  H N N 304 
MET N    N N N 305 
MET CA   C N S 306 
MET C    C N N 307 
MET O    O N N 308 
MET CB   C N N 309 
MET CG   C N N 310 
MET SD   S N N 311 
MET CE   C N N 312 
MET OXT  O N N 313 
MET H    H N N 314 
MET H2   H N N 315 
MET HA   H N N 316 
MET HB2  H N N 317 
MET HB3  H N N 318 
MET HG2  H N N 319 
MET HG3  H N N 320 
MET HE1  H N N 321 
MET HE2  H N N 322 
MET HE3  H N N 323 
MET HXT  H N N 324 
PHE N    N N N 325 
PHE CA   C N S 326 
PHE C    C N N 327 
PHE O    O N N 328 
PHE CB   C N N 329 
PHE CG   C Y N 330 
PHE CD1  C Y N 331 
PHE CD2  C Y N 332 
PHE CE1  C Y N 333 
PHE CE2  C Y N 334 
PHE CZ   C Y N 335 
PHE OXT  O N N 336 
PHE H    H N N 337 
PHE H2   H N N 338 
PHE HA   H N N 339 
PHE HB2  H N N 340 
PHE HB3  H N N 341 
PHE HD1  H N N 342 
PHE HD2  H N N 343 
PHE HE1  H N N 344 
PHE HE2  H N N 345 
PHE HZ   H N N 346 
PHE HXT  H N N 347 
PRO N    N N N 348 
PRO CA   C N S 349 
PRO C    C N N 350 
PRO O    O N N 351 
PRO CB   C N N 352 
PRO CG   C N N 353 
PRO CD   C N N 354 
PRO OXT  O N N 355 
PRO H    H N N 356 
PRO HA   H N N 357 
PRO HB2  H N N 358 
PRO HB3  H N N 359 
PRO HG2  H N N 360 
PRO HG3  H N N 361 
PRO HD2  H N N 362 
PRO HD3  H N N 363 
PRO HXT  H N N 364 
SER N    N N N 365 
SER CA   C N S 366 
SER C    C N N 367 
SER O    O N N 368 
SER CB   C N N 369 
SER OG   O N N 370 
SER OXT  O N N 371 
SER H    H N N 372 
SER H2   H N N 373 
SER HA   H N N 374 
SER HB2  H N N 375 
SER HB3  H N N 376 
SER HG   H N N 377 
SER HXT  H N N 378 
THR N    N N N 379 
THR CA   C N S 380 
THR C    C N N 381 
THR O    O N N 382 
THR CB   C N R 383 
THR OG1  O N N 384 
THR CG2  C N N 385 
THR OXT  O N N 386 
THR H    H N N 387 
THR H2   H N N 388 
THR HA   H N N 389 
THR HB   H N N 390 
THR HG1  H N N 391 
THR HG21 H N N 392 
THR HG22 H N N 393 
THR HG23 H N N 394 
THR HXT  H N N 395 
TRP N    N N N 396 
TRP CA   C N S 397 
TRP C    C N N 398 
TRP O    O N N 399 
TRP CB   C N N 400 
TRP CG   C Y N 401 
TRP CD1  C Y N 402 
TRP CD2  C Y N 403 
TRP NE1  N Y N 404 
TRP CE2  C Y N 405 
TRP CE3  C Y N 406 
TRP CZ2  C Y N 407 
TRP CZ3  C Y N 408 
TRP CH2  C Y N 409 
TRP OXT  O N N 410 
TRP H    H N N 411 
TRP H2   H N N 412 
TRP HA   H N N 413 
TRP HB2  H N N 414 
TRP HB3  H N N 415 
TRP HD1  H N N 416 
TRP HE1  H N N 417 
TRP HE3  H N N 418 
TRP HZ2  H N N 419 
TRP HZ3  H N N 420 
TRP HH2  H N N 421 
TRP HXT  H N N 422 
TYR N    N N N 423 
TYR CA   C N S 424 
TYR C    C N N 425 
TYR O    O N N 426 
TYR CB   C N N 427 
TYR CG   C Y N 428 
TYR CD1  C Y N 429 
TYR CD2  C Y N 430 
TYR CE1  C Y N 431 
TYR CE2  C Y N 432 
TYR CZ   C Y N 433 
TYR OH   O N N 434 
TYR OXT  O N N 435 
TYR H    H N N 436 
TYR H2   H N N 437 
TYR HA   H N N 438 
TYR HB2  H N N 439 
TYR HB3  H N N 440 
TYR HD1  H N N 441 
TYR HD2  H N N 442 
TYR HE1  H N N 443 
TYR HE2  H N N 444 
TYR HH   H N N 445 
TYR HXT  H N N 446 
VAL N    N N N 447 
VAL CA   C N S 448 
VAL C    C N N 449 
VAL O    O N N 450 
VAL CB   C N N 451 
VAL CG1  C N N 452 
VAL CG2  C N N 453 
VAL OXT  O N N 454 
VAL H    H N N 455 
VAL H2   H N N 456 
VAL HA   H N N 457 
VAL HB   H N N 458 
VAL HG11 H N N 459 
VAL HG12 H N N 460 
VAL HG13 H N N 461 
VAL HG21 H N N 462 
VAL HG22 H N N 463 
VAL HG23 H N N 464 
VAL HXT  H N N 465 
# 
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 
34G CAA CAJ  sing N N 1   
34G CAN CAM  sing N N 2   
34G CAN NBI  sing N N 3   
34G CAM CAX  sing N N 4   
34G CAJ CBE  sing N N 5   
34G NBI CAQ  sing N N 6   
34G NBI CBH  sing N N 7   
34G CAQ CBE  sing N N 8   
34G CAX CAG  doub Y N 9   
34G CAX CBD  sing Y N 10  
34G CBE CBF  sing N N 11  
34G CBH CBD  sing N N 12  
34G CBH CAP  sing N N 13  
34G CBF CAO  sing N N 14  
34G CBF CAP  sing N N 15  
34G CAK NAR  sing N N 16  
34G CAK CAL  sing N N 17  
34G CAG CAZ  sing Y N 18  
34G NAR CBG  sing N N 19  
34G CBD CAI  doub Y N 20  
34G CAL CAW  sing N N 21  
34G CBG CAO  sing N N 22  
34G CBG CBC  sing N N 23  
34G CAZ OAT  sing N N 24  
34G CAZ CBB  doub Y N 25  
34G CAI CBB  sing Y N 26  
34G CAW CBC  doub Y N 27  
34G CAW CAF  sing Y N 28  
34G CAC OAT  sing N N 29  
34G CBC CAH  sing Y N 30  
34G CBB OAV  sing N N 31  
34G CAF CAY  doub Y N 32  
34G CAH CBA  doub Y N 33  
34G OAV CAE  sing N N 34  
34G CAY CBA  sing Y N 35  
34G CAY OAS  sing N N 36  
34G CBA OAU  sing N N 37  
34G CAB OAS  sing N N 38  
34G OAU CAD  sing N N 39  
34G CAA H1   sing N N 40  
34G CAA H2   sing N N 41  
34G CAA H3   sing N N 42  
34G CAJ H4   sing N N 43  
34G CAJ H5   sing N N 44  
34G CBE H6   sing N N 45  
34G CAQ H7   sing N N 46  
34G CAQ H8   sing N N 47  
34G CAN H10  sing N N 48  
34G CAN H11  sing N N 49  
34G CAM H12  sing N N 50  
34G CAM H13  sing N N 51  
34G CAG H14  sing N N 52  
34G CAC H15  sing N N 53  
34G CAC H16  sing N N 54  
34G CAC H17  sing N N 55  
34G CAE H18  sing N N 56  
34G CAE H19  sing N N 57  
34G CAE H20  sing N N 58  
34G CAI H21  sing N N 59  
34G CBH H22  sing N N 60  
34G CAP H23  sing N N 61  
34G CAP H24  sing N N 62  
34G CBF H25  sing N N 63  
34G CAO H26  sing N N 64  
34G CAO H27  sing N N 65  
34G CBG H28  sing N N 66  
34G NAR H29  sing N N 67  
34G CAK H31  sing N N 68  
34G CAK H32  sing N N 69  
34G CAL H33  sing N N 70  
34G CAL H34  sing N N 71  
34G CAF H35  sing N N 72  
34G CAH H36  sing N N 73  
34G CAD H37  sing N N 74  
34G CAD H38  sing N N 75  
34G CAD H39  sing N N 76  
34G CAB H40  sing N N 77  
34G CAB H41  sing N N 78  
34G CAB H42  sing N N 79  
ALA N   CA   sing N N 80  
ALA N   H    sing N N 81  
ALA N   H2   sing N N 82  
ALA CA  C    sing N N 83  
ALA CA  CB   sing N N 84  
ALA CA  HA   sing N N 85  
ALA C   O    doub N N 86  
ALA C   OXT  sing N N 87  
ALA CB  HB1  sing N N 88  
ALA CB  HB2  sing N N 89  
ALA CB  HB3  sing N N 90  
ALA OXT HXT  sing N N 91  
ARG N   CA   sing N N 92  
ARG N   H    sing N N 93  
ARG N   H2   sing N N 94  
ARG CA  C    sing N N 95  
ARG CA  CB   sing N N 96  
ARG CA  HA   sing N N 97  
ARG C   O    doub N N 98  
ARG C   OXT  sing N N 99  
ARG CB  CG   sing N N 100 
ARG CB  HB2  sing N N 101 
ARG CB  HB3  sing N N 102 
ARG CG  CD   sing N N 103 
ARG CG  HG2  sing N N 104 
ARG CG  HG3  sing N N 105 
ARG CD  NE   sing N N 106 
ARG CD  HD2  sing N N 107 
ARG CD  HD3  sing N N 108 
ARG NE  CZ   sing N N 109 
ARG NE  HE   sing N N 110 
ARG CZ  NH1  sing N N 111 
ARG CZ  NH2  doub N N 112 
ARG NH1 HH11 sing N N 113 
ARG NH1 HH12 sing N N 114 
ARG NH2 HH21 sing N N 115 
ARG NH2 HH22 sing N N 116 
ARG OXT HXT  sing N N 117 
ASN N   CA   sing N N 118 
ASN N   H    sing N N 119 
ASN N   H2   sing N N 120 
ASN CA  C    sing N N 121 
ASN CA  CB   sing N N 122 
ASN CA  HA   sing N N 123 
ASN C   O    doub N N 124 
ASN C   OXT  sing N N 125 
ASN CB  CG   sing N N 126 
ASN CB  HB2  sing N N 127 
ASN CB  HB3  sing N N 128 
ASN CG  OD1  doub N N 129 
ASN CG  ND2  sing N N 130 
ASN ND2 HD21 sing N N 131 
ASN ND2 HD22 sing N N 132 
ASN OXT HXT  sing N N 133 
ASP N   CA   sing N N 134 
ASP N   H    sing N N 135 
ASP N   H2   sing N N 136 
ASP CA  C    sing N N 137 
ASP CA  CB   sing N N 138 
ASP CA  HA   sing N N 139 
ASP C   O    doub N N 140 
ASP C   OXT  sing N N 141 
ASP CB  CG   sing N N 142 
ASP CB  HB2  sing N N 143 
ASP CB  HB3  sing N N 144 
ASP CG  OD1  doub N N 145 
ASP CG  OD2  sing N N 146 
ASP OD2 HD2  sing N N 147 
ASP OXT HXT  sing N N 148 
CYS N   CA   sing N N 149 
CYS N   H    sing N N 150 
CYS N   H2   sing N N 151 
CYS CA  C    sing N N 152 
CYS CA  CB   sing N N 153 
CYS CA  HA   sing N N 154 
CYS C   O    doub N N 155 
CYS C   OXT  sing N N 156 
CYS CB  SG   sing N N 157 
CYS CB  HB2  sing N N 158 
CYS CB  HB3  sing N N 159 
CYS SG  HG   sing N N 160 
CYS OXT HXT  sing N N 161 
GLN N   CA   sing N N 162 
GLN N   H    sing N N 163 
GLN N   H2   sing N N 164 
GLN CA  C    sing N N 165 
GLN CA  CB   sing N N 166 
GLN CA  HA   sing N N 167 
GLN C   O    doub N N 168 
GLN C   OXT  sing N N 169 
GLN CB  CG   sing N N 170 
GLN CB  HB2  sing N N 171 
GLN CB  HB3  sing N N 172 
GLN CG  CD   sing N N 173 
GLN CG  HG2  sing N N 174 
GLN CG  HG3  sing N N 175 
GLN CD  OE1  doub N N 176 
GLN CD  NE2  sing N N 177 
GLN NE2 HE21 sing N N 178 
GLN NE2 HE22 sing N N 179 
GLN OXT HXT  sing N N 180 
GLU N   CA   sing N N 181 
GLU N   H    sing N N 182 
GLU N   H2   sing N N 183 
GLU CA  C    sing N N 184 
GLU CA  CB   sing N N 185 
GLU CA  HA   sing N N 186 
GLU C   O    doub N N 187 
GLU C   OXT  sing N N 188 
GLU CB  CG   sing N N 189 
GLU CB  HB2  sing N N 190 
GLU CB  HB3  sing N N 191 
GLU CG  CD   sing N N 192 
GLU CG  HG2  sing N N 193 
GLU CG  HG3  sing N N 194 
GLU CD  OE1  doub N N 195 
GLU CD  OE2  sing N N 196 
GLU OE2 HE2  sing N N 197 
GLU OXT HXT  sing N N 198 
GLY N   CA   sing N N 199 
GLY N   H    sing N N 200 
GLY N   H2   sing N N 201 
GLY CA  C    sing N N 202 
GLY CA  HA2  sing N N 203 
GLY CA  HA3  sing N N 204 
GLY C   O    doub N N 205 
GLY C   OXT  sing N N 206 
GLY OXT HXT  sing N N 207 
HIS N   CA   sing N N 208 
HIS N   H    sing N N 209 
HIS N   H2   sing N N 210 
HIS CA  C    sing N N 211 
HIS CA  CB   sing N N 212 
HIS CA  HA   sing N N 213 
HIS C   O    doub N N 214 
HIS C   OXT  sing N N 215 
HIS CB  CG   sing N N 216 
HIS CB  HB2  sing N N 217 
HIS CB  HB3  sing N N 218 
HIS CG  ND1  sing Y N 219 
HIS CG  CD2  doub Y N 220 
HIS ND1 CE1  doub Y N 221 
HIS ND1 HD1  sing N N 222 
HIS CD2 NE2  sing Y N 223 
HIS CD2 HD2  sing N N 224 
HIS CE1 NE2  sing Y N 225 
HIS CE1 HE1  sing N N 226 
HIS NE2 HE2  sing N N 227 
HIS OXT HXT  sing N N 228 
HOH O   H1   sing N N 229 
HOH O   H2   sing N N 230 
ILE N   CA   sing N N 231 
ILE N   H    sing N N 232 
ILE N   H2   sing N N 233 
ILE CA  C    sing N N 234 
ILE CA  CB   sing N N 235 
ILE CA  HA   sing N N 236 
ILE C   O    doub N N 237 
ILE C   OXT  sing N N 238 
ILE CB  CG1  sing N N 239 
ILE CB  CG2  sing N N 240 
ILE CB  HB   sing N N 241 
ILE CG1 CD1  sing N N 242 
ILE CG1 HG12 sing N N 243 
ILE CG1 HG13 sing N N 244 
ILE CG2 HG21 sing N N 245 
ILE CG2 HG22 sing N N 246 
ILE CG2 HG23 sing N N 247 
ILE CD1 HD11 sing N N 248 
ILE CD1 HD12 sing N N 249 
ILE CD1 HD13 sing N N 250 
ILE OXT HXT  sing N N 251 
LEU N   CA   sing N N 252 
LEU N   H    sing N N 253 
LEU N   H2   sing N N 254 
LEU CA  C    sing N N 255 
LEU CA  CB   sing N N 256 
LEU CA  HA   sing N N 257 
LEU C   O    doub N N 258 
LEU C   OXT  sing N N 259 
LEU CB  CG   sing N N 260 
LEU CB  HB2  sing N N 261 
LEU CB  HB3  sing N N 262 
LEU CG  CD1  sing N N 263 
LEU CG  CD2  sing N N 264 
LEU CG  HG   sing N N 265 
LEU CD1 HD11 sing N N 266 
LEU CD1 HD12 sing N N 267 
LEU CD1 HD13 sing N N 268 
LEU CD2 HD21 sing N N 269 
LEU CD2 HD22 sing N N 270 
LEU CD2 HD23 sing N N 271 
LEU OXT HXT  sing N N 272 
LYS N   CA   sing N N 273 
LYS N   H    sing N N 274 
LYS N   H2   sing N N 275 
LYS CA  C    sing N N 276 
LYS CA  CB   sing N N 277 
LYS CA  HA   sing N N 278 
LYS C   O    doub N N 279 
LYS C   OXT  sing N N 280 
LYS CB  CG   sing N N 281 
LYS CB  HB2  sing N N 282 
LYS CB  HB3  sing N N 283 
LYS CG  CD   sing N N 284 
LYS CG  HG2  sing N N 285 
LYS CG  HG3  sing N N 286 
LYS CD  CE   sing N N 287 
LYS CD  HD2  sing N N 288 
LYS CD  HD3  sing N N 289 
LYS CE  NZ   sing N N 290 
LYS CE  HE2  sing N N 291 
LYS CE  HE3  sing N N 292 
LYS NZ  HZ1  sing N N 293 
LYS NZ  HZ2  sing N N 294 
LYS NZ  HZ3  sing N N 295 
LYS OXT HXT  sing N N 296 
MET N   CA   sing N N 297 
MET N   H    sing N N 298 
MET N   H2   sing N N 299 
MET CA  C    sing N N 300 
MET CA  CB   sing N N 301 
MET CA  HA   sing N N 302 
MET C   O    doub N N 303 
MET C   OXT  sing N N 304 
MET CB  CG   sing N N 305 
MET CB  HB2  sing N N 306 
MET CB  HB3  sing N N 307 
MET CG  SD   sing N N 308 
MET CG  HG2  sing N N 309 
MET CG  HG3  sing N N 310 
MET SD  CE   sing N N 311 
MET CE  HE1  sing N N 312 
MET CE  HE2  sing N N 313 
MET CE  HE3  sing N N 314 
MET OXT HXT  sing N N 315 
PHE N   CA   sing N N 316 
PHE N   H    sing N N 317 
PHE N   H2   sing N N 318 
PHE CA  C    sing N N 319 
PHE CA  CB   sing N N 320 
PHE CA  HA   sing N N 321 
PHE C   O    doub N N 322 
PHE C   OXT  sing N N 323 
PHE CB  CG   sing N N 324 
PHE CB  HB2  sing N N 325 
PHE CB  HB3  sing N N 326 
PHE CG  CD1  doub Y N 327 
PHE CG  CD2  sing Y N 328 
PHE CD1 CE1  sing Y N 329 
PHE CD1 HD1  sing N N 330 
PHE CD2 CE2  doub Y N 331 
PHE CD2 HD2  sing N N 332 
PHE CE1 CZ   doub Y N 333 
PHE CE1 HE1  sing N N 334 
PHE CE2 CZ   sing Y N 335 
PHE CE2 HE2  sing N N 336 
PHE CZ  HZ   sing N N 337 
PHE OXT HXT  sing N N 338 
PRO N   CA   sing N N 339 
PRO N   CD   sing N N 340 
PRO N   H    sing N N 341 
PRO CA  C    sing N N 342 
PRO CA  CB   sing N N 343 
PRO CA  HA   sing N N 344 
PRO C   O    doub N N 345 
PRO C   OXT  sing N N 346 
PRO CB  CG   sing N N 347 
PRO CB  HB2  sing N N 348 
PRO CB  HB3  sing N N 349 
PRO CG  CD   sing N N 350 
PRO CG  HG2  sing N N 351 
PRO CG  HG3  sing N N 352 
PRO CD  HD2  sing N N 353 
PRO CD  HD3  sing N N 354 
PRO OXT HXT  sing N N 355 
SER N   CA   sing N N 356 
SER N   H    sing N N 357 
SER N   H2   sing N N 358 
SER CA  C    sing N N 359 
SER CA  CB   sing N N 360 
SER CA  HA   sing N N 361 
SER C   O    doub N N 362 
SER C   OXT  sing N N 363 
SER CB  OG   sing N N 364 
SER CB  HB2  sing N N 365 
SER CB  HB3  sing N N 366 
SER OG  HG   sing N N 367 
SER OXT HXT  sing N N 368 
THR N   CA   sing N N 369 
THR N   H    sing N N 370 
THR N   H2   sing N N 371 
THR CA  C    sing N N 372 
THR CA  CB   sing N N 373 
THR CA  HA   sing N N 374 
THR C   O    doub N N 375 
THR C   OXT  sing N N 376 
THR CB  OG1  sing N N 377 
THR CB  CG2  sing N N 378 
THR CB  HB   sing N N 379 
THR OG1 HG1  sing N N 380 
THR CG2 HG21 sing N N 381 
THR CG2 HG22 sing N N 382 
THR CG2 HG23 sing N N 383 
THR OXT HXT  sing N N 384 
TRP N   CA   sing N N 385 
TRP N   H    sing N N 386 
TRP N   H2   sing N N 387 
TRP CA  C    sing N N 388 
TRP CA  CB   sing N N 389 
TRP CA  HA   sing N N 390 
TRP C   O    doub N N 391 
TRP C   OXT  sing N N 392 
TRP CB  CG   sing N N 393 
TRP CB  HB2  sing N N 394 
TRP CB  HB3  sing N N 395 
TRP CG  CD1  doub Y N 396 
TRP CG  CD2  sing Y N 397 
TRP CD1 NE1  sing Y N 398 
TRP CD1 HD1  sing N N 399 
TRP CD2 CE2  doub Y N 400 
TRP CD2 CE3  sing Y N 401 
TRP NE1 CE2  sing Y N 402 
TRP NE1 HE1  sing N N 403 
TRP CE2 CZ2  sing Y N 404 
TRP CE3 CZ3  doub Y N 405 
TRP CE3 HE3  sing N N 406 
TRP CZ2 CH2  doub Y N 407 
TRP CZ2 HZ2  sing N N 408 
TRP CZ3 CH2  sing Y N 409 
TRP CZ3 HZ3  sing N N 410 
TRP CH2 HH2  sing N N 411 
TRP OXT HXT  sing N N 412 
TYR N   CA   sing N N 413 
TYR N   H    sing N N 414 
TYR N   H2   sing N N 415 
TYR CA  C    sing N N 416 
TYR CA  CB   sing N N 417 
TYR CA  HA   sing N N 418 
TYR C   O    doub N N 419 
TYR C   OXT  sing N N 420 
TYR CB  CG   sing N N 421 
TYR CB  HB2  sing N N 422 
TYR CB  HB3  sing N N 423 
TYR CG  CD1  doub Y N 424 
TYR CG  CD2  sing Y N 425 
TYR CD1 CE1  sing Y N 426 
TYR CD1 HD1  sing N N 427 
TYR CD2 CE2  doub Y N 428 
TYR CD2 HD2  sing N N 429 
TYR CE1 CZ   doub Y N 430 
TYR CE1 HE1  sing N N 431 
TYR CE2 CZ   sing Y N 432 
TYR CE2 HE2  sing N N 433 
TYR CZ  OH   sing N N 434 
TYR OH  HH   sing N N 435 
TYR OXT HXT  sing N N 436 
VAL N   CA   sing N N 437 
VAL N   H    sing N N 438 
VAL N   H2   sing N N 439 
VAL CA  C    sing N N 440 
VAL CA  CB   sing N N 441 
VAL CA  HA   sing N N 442 
VAL C   O    doub N N 443 
VAL C   OXT  sing N N 444 
VAL CB  CG1  sing N N 445 
VAL CB  CG2  sing N N 446 
VAL CB  HB   sing N N 447 
VAL CG1 HG11 sing N N 448 
VAL CG1 HG12 sing N N 449 
VAL CG1 HG13 sing N N 450 
VAL CG2 HG21 sing N N 451 
VAL CG2 HG22 sing N N 452 
VAL CG2 HG23 sing N N 453 
VAL OXT HXT  sing N N 454 
# 
_pdbx_audit_support.funding_organization   'Department of Biotechnology (DBT, India)' 
_pdbx_audit_support.country                India 
_pdbx_audit_support.grant_number           GAP299 
_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   1BVX 
_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                    8Z51 
_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]   0.012628 
_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]   0.012628 
_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]   0.028301 
_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   ? -3.64651  -10.09542 -8.91494  1.000 15.51570 ? 1   LYS A N   1 
ATOM   2    C CA  . LYS A 1 1   ? -2.65089  -10.45488 -9.91968  1.000 14.84405 ? 1   LYS A CA  1 
ATOM   3    C C   . LYS A 1 1   ? -2.67301  -11.96442 -10.15485 1.000 10.66531 ? 1   LYS A C   1 
ATOM   4    O O   . LYS A 1 1   ? -2.67936  -12.72667 -9.18934  1.000 13.17247 ? 1   LYS A O   1 
ATOM   5    C CB  . LYS A 1 1   ? -1.26897  -9.98891  -9.45645  1.000 14.53733 ? 1   LYS A CB  1 
ATOM   6    C CG  . LYS A 1 1   ? -0.10406  -10.44277 -10.30234 1.000 14.01008 ? 1   LYS A CG  1 
ATOM   7    C CD  . LYS A 1 1   ? 1.16745   -9.80523  -9.79858  1.000 16.01313 ? 1   LYS A CD  1 
ATOM   8    C CE  . LYS A 1 1   ? 2.35445   -10.30848 -10.60271 1.000 16.27657 ? 1   LYS A CE  1 
ATOM   9    N NZ  . LYS A 1 1   ? 3.61495   -9.57995  -10.29321 1.000 23.27548 ? 1   LYS A NZ  1 
ATOM   10   N N   . VAL A 1 2   ? -2.71129  -12.39489 -11.41110 1.000 14.45382 ? 2   VAL A N   1 
ATOM   11   C CA  . VAL A 1 2   ? -2.55655  -13.80130 -11.75899 1.000 9.46799  ? 2   VAL A CA  1 
ATOM   12   C C   . VAL A 1 2   ? -1.11396  -13.98864 -12.20567 1.000 12.00109 ? 2   VAL A C   1 
ATOM   13   O O   . VAL A 1 2   ? -0.73307  -13.59728 -13.31430 1.000 18.19697 ? 2   VAL A O   1 
ATOM   14   C CB  . VAL A 1 2   ? -3.55040  -14.25079 -12.83067 1.000 16.67021 ? 2   VAL A CB  1 
ATOM   15   C CG1 . VAL A 1 2   ? -3.38948  -15.74424 -13.08334 1.000 19.01186 ? 2   VAL A CG1 1 
ATOM   16   C CG2 . VAL A 1 2   ? -4.97658  -13.95554 -12.36193 1.000 13.68313 ? 2   VAL A CG2 1 
ATOM   17   N N   . PHE A 1 3   ? -0.30894  -14.57435 -11.32868 1.000 8.61962  ? 3   PHE A N   1 
ATOM   18   C CA  . PHE A 1 3   ? 1.09286   -14.81100 -11.64367 1.000 10.77192 ? 3   PHE A CA  1 
ATOM   19   C C   . PHE A 1 3   ? 1.22460   -15.83704 -12.75362 1.000 11.29226 ? 3   PHE A C   1 
ATOM   20   O O   . PHE A 1 3   ? 0.45345   -16.79317 -12.83163 1.000 11.59056 ? 3   PHE A O   1 
ATOM   21   C CB  . PHE A 1 3   ? 1.83835   -15.34427 -10.42194 1.000 11.30813 ? 3   PHE A CB  1 
ATOM   22   C CG  . PHE A 1 3   ? 2.37823   -14.29315 -9.49735  1.000 9.45534  ? 3   PHE A CG  1 
ATOM   23   C CD1 . PHE A 1 3   ? 1.57156   -13.69947 -8.51966  1.000 11.30655 ? 3   PHE A CD1 1 
ATOM   24   C CD2 . PHE A 1 3   ? 3.70925   -13.91714 -9.57242  1.000 11.92791 ? 3   PHE A CD2 1 
ATOM   25   C CE1 . PHE A 1 3   ? 2.10233   -12.75037 -7.66708  1.000 10.03509 ? 3   PHE A CE1 1 
ATOM   26   C CE2 . PHE A 1 3   ? 4.24405   -12.97294 -8.72341  1.000 10.49364 ? 3   PHE A CE2 1 
ATOM   27   C CZ  . PHE A 1 3   ? 3.44274   -12.38121 -7.76864  1.000 12.89544 ? 3   PHE A CZ  1 
ATOM   28   N N   . GLY A 1 4   ? 2.22108   -15.64113 -13.61470 1.000 10.21470 ? 4   GLY A N   1 
ATOM   29   C CA  . GLY A 1 4   ? 2.68778   -16.73980 -14.42697 1.000 12.28921 ? 4   GLY A CA  1 
ATOM   30   C C   . GLY A 1 4   ? 3.43320   -17.74905 -13.57497 1.000 10.15261 ? 4   GLY A C   1 
ATOM   31   O O   . GLY A 1 4   ? 3.98849   -17.42019 -12.52519 1.000 13.15672 ? 4   GLY A O   1 
ATOM   32   N N   . ARG A 1 5   ? 3.42092   -18.99766 -14.03543 1.000 10.55805 ? 5   ARG A N   1 
ATOM   33   C CA  . ARG A 1 5   ? 4.10361   -20.08567 -13.34366 1.000 12.09641 ? 5   ARG A CA  1 
ATOM   34   C C   . ARG A 1 5   ? 5.53510   -19.71044 -12.98090 1.000 13.13338 ? 5   ARG A C   1 
ATOM   35   O O   . ARG A 1 5   ? 5.92982   -19.73754 -11.81130 1.000 11.36493 ? 5   ARG A O   1 
ATOM   36   C CB  . ARG A 1 5   ? 4.08029   -21.32685 -14.23407 1.000 16.35735 ? 5   ARG A CB  1 
ATOM   37   C CG  . ARG A 1 5   ? 4.83015   -22.52072 -13.69508 1.000 16.33525 ? 5   ARG A CG  1 
ATOM   38   C CD  . ARG A 1 5   ? 4.66824   -23.70379 -14.64403 1.000 19.36446 ? 5   ARG A CD  1 
ATOM   39   N NE  . ARG A 1 5   ? 5.33884   -23.48291 -15.92190 1.000 20.33846 ? 5   ARG A NE  1 
ATOM   40   C CZ  . ARG A 1 5   ? 6.59340   -23.82766 -16.18903 1.000 19.60924 ? 5   ARG A CZ  1 
ATOM   41   N NH1 . ARG A 1 5   ? 7.37303   -24.38034 -15.27284 1.000 17.42717 ? 5   ARG A NH1 1 
ATOM   42   N NH2 . ARG A 1 5   ? 7.07769   -23.61480 -17.40951 1.000 22.74137 ? 5   ARG A NH2 1 
ATOM   43   N N   . CYS A 1 6   ? 6.33610   -19.35299 -13.98796 1.000 14.64864 ? 6   CYS A N   1 
ATOM   44   C CA  . CYS A 1 6   ? 7.74328   -19.07970 -13.73493 1.000 13.64435 ? 6   CYS A CA  1 
ATOM   45   C C   . CYS A 1 6   ? 7.93891   -17.77603 -12.98763 1.000 11.35277 ? 6   CYS A C   1 
ATOM   46   O O   . CYS A 1 6   ? 8.87996   -17.64701 -12.19603 1.000 13.68755 ? 6   CYS A O   1 
ATOM   47   C CB  . CYS A 1 6   ? 8.51011   -19.05392 -15.05890 1.000 12.61221 ? 6   CYS A CB  1 
ATOM   48   S SG  . CYS A 1 6   ? 8.64345   -20.67183 -15.81541 1.000 14.72283 ? 6   CYS A SG  1 
ATOM   49   N N   . GLU A 1 7   ? 7.06031   -16.80168 -13.21886 1.000 11.68496 ? 7   GLU A N   1 
ATOM   50   C CA  . GLU A 1 7   ? 7.11930   -15.56166 -12.45765 1.000 12.96420 ? 7   GLU A CA  1 
ATOM   51   C C   . GLU A 1 7   ? 6.93183   -15.82463 -10.96881 1.000 12.98211 ? 7   GLU A C   1 
ATOM   52   O O   . GLU A 1 7   ? 7.64912   -15.26286 -10.12922 1.000 11.80104 ? 7   GLU A O   1 
ATOM   53   C CB  . GLU A 1 7   ? 6.04364   -14.61189 -12.97713 1.000 10.71476 ? 7   GLU A CB  1 
ATOM   54   C CG  . GLU A 1 7   ? 5.96357   -13.30305 -12.26725 1.000 16.15863 ? 7   GLU A CG  1 
ATOM   55   C CD  . GLU A 1 7   ? 4.74074   -12.49428 -12.67914 1.000 20.02228 ? 7   GLU A CD  1 
ATOM   56   O OE1 . GLU A 1 7   ? 3.77064   -13.07120 -13.24220 1.000 18.06753 ? 7   GLU A OE1 1 
ATOM   57   O OE2 . GLU A 1 7   ? 4.76663   -11.27109 -12.44858 1.000 19.75968 ? 7   GLU A OE2 1 
ATOM   58   N N   . LEU A 1 8   ? 5.96252   -16.67813 -10.62445 1.000 10.09881 ? 8   LEU A N   1 
ATOM   59   C CA  . LEU A 1 8   ? 5.71614   -16.98055 -9.21914  1.000 9.65047  ? 8   LEU A CA  1 
ATOM   60   C C   . LEU A 1 8   ? 6.85180   -17.79985 -8.62881  1.000 8.65694  ? 8   LEU A C   1 
ATOM   61   O O   . LEU A 1 8   ? 7.27788   -17.55017 -7.49975  1.000 10.66915 ? 8   LEU A O   1 
ATOM   62   C CB  . LEU A 1 8   ? 4.38398   -17.71492 -9.07611  1.000 8.05211  ? 8   LEU A CB  1 
ATOM   63   C CG  . LEU A 1 8   ? 4.04569   -18.05026 -7.62812  1.000 9.30660  ? 8   LEU A CG  1 
ATOM   64   C CD1 . LEU A 1 8   ? 3.84561   -16.75777 -6.86122  1.000 9.37796  ? 8   LEU A CD1 1 
ATOM   65   C CD2 . LEU A 1 8   ? 2.81090   -18.91056 -7.58308  1.000 10.46565 ? 8   LEU A CD2 1 
ATOM   66   N N   . ALA A 1 9   ? 7.37003   -18.76617 -9.38866  1.000 10.32645 ? 9   ALA A N   1 
ATOM   67   C CA  . ALA A 1 9   ? 8.52048   -19.52073 -8.90432  1.000 11.14062 ? 9   ALA A CA  1 
ATOM   68   C C   . ALA A 1 9   ? 9.66059   -18.58522 -8.52904  1.000 10.01713 ? 9   ALA A C   1 
ATOM   69   O O   . ALA A 1 9   ? 10.28340  -18.74035 -7.47145  1.000 11.84403 ? 9   ALA A O   1 
ATOM   70   C CB  . ALA A 1 9   ? 8.98361   -20.51902 -9.96414  1.000 12.16674 ? 9   ALA A CB  1 
ATOM   71   N N   . ALA A 1 10  ? 9.93201   -17.59587 -9.38153  1.000 10.98481 ? 10  ALA A N   1 
ATOM   72   C CA  . ALA A 1 10  ? 11.00847  -16.65499 -9.10358  1.000 8.02643  ? 10  ALA A CA  1 
ATOM   73   C C   . ALA A 1 10  ? 10.71348  -15.82177 -7.87193  1.000 13.59105 ? 10  ALA A C   1 
ATOM   74   O O   . ALA A 1 10  ? 11.61450  -15.54494 -7.06768  1.000 15.65317 ? 10  ALA A O   1 
ATOM   75   C CB  . ALA A 1 10  ? 11.22460  -15.74983 -10.31727 1.000 11.82843 ? 10  ALA A CB  1 
ATOM   76   N N   . ALA A 1 11  ? 9.46099   -15.39471 -7.70660  1.000 12.71604 ? 11  ALA A N   1 
ATOM   77   C CA  . ALA A 1 11  ? 9.14439   -14.56681 -6.55224  1.000 11.71102 ? 11  ALA A CA  1 
ATOM   78   C C   . ALA A 1 11  ? 9.22615   -15.37481 -5.26043  1.000 11.69035 ? 11  ALA A C   1 
ATOM   79   O O   . ALA A 1 11  ? 9.69949   -14.87174 -4.23850  1.000 10.90340 ? 11  ALA A O   1 
ATOM   80   C CB  . ALA A 1 11  ? 7.76478   -13.93138 -6.72415  1.000 11.97380 ? 11  ALA A CB  1 
ATOM   81   N N   . MET A 1 12  ? 8.76665   -16.62752 -5.28270  1.000 12.00205 ? 12  MET A N   1 
ATOM   82   C CA  . MET A 1 12  ? 8.91244   -17.46973 -4.10013  1.000 9.85152  ? 12  MET A CA  1 
ATOM   83   C C   . MET A 1 12  ? 10.37530  -17.72990 -3.77331  1.000 12.36043 ? 12  MET A C   1 
ATOM   84   O O   . MET A 1 12  ? 10.75196  -17.75735 -2.59534  1.000 13.32572 ? 12  MET A O   1 
ATOM   85   C CB  . MET A 1 12  ? 8.14237   -18.77734 -4.28665  1.000 8.28712  ? 12  MET A CB  1 
ATOM   86   C CG  . MET A 1 12  ? 6.62658   -18.60055 -4.38781  1.000 6.96219  ? 12  MET A CG  1 
ATOM   87   S SD  . MET A 1 12  ? 5.86342   -20.19274 -4.74539  1.000 8.55193  ? 12  MET A SD  1 
ATOM   88   C CE  . MET A 1 12  ? 4.27425   -19.94019 -3.98043  1.000 9.47704  ? 12  MET A CE  1 
ATOM   89   N N   . LYS A 1 13  ? 11.21323  -17.90995 -4.79840  1.000 11.61181 ? 13  LYS A N   1 
ATOM   90   C CA  . LYS A 1 13  ? 12.62750  -18.16771 -4.54515  1.000 12.54583 ? 13  LYS A CA  1 
ATOM   91   C C   . LYS A 1 13  ? 13.29755  -16.94433 -3.93326  1.000 16.27844 ? 13  LYS A C   1 
ATOM   92   O O   . LYS A 1 13  ? 14.08947  -17.06624 -2.98869  1.000 15.43384 ? 13  LYS A O   1 
ATOM   93   C CB  . LYS A 1 13  ? 13.32099  -18.57847 -5.84143  1.000 13.45108 ? 13  LYS A CB  1 
ATOM   94   C CG  . LYS A 1 13  ? 14.74537  -19.09095 -5.63628  1.000 20.98587 ? 13  LYS A CG  1 
ATOM   95   C CD  . LYS A 1 13  ? 15.21403  -19.82545 -6.88379  1.000 28.84138 ? 13  LYS A CD  1 
ATOM   96   C CE  . LYS A 1 13  ? 16.67398  -20.20493 -6.77925  1.000 36.42773 ? 13  LYS A CE  1 
ATOM   97   N NZ  . LYS A 1 13  ? 17.44394  -19.10627 -6.17747  1.000 41.39250 ? 13  LYS A NZ  1 
ATOM   98   N N   . ARG A 1 14  ? 12.97288  -15.74558 -4.43071  1.000 11.41457 ? 14  ARG A N   1 
ATOM   99   C CA  . ARG A 1 14  ? 13.58846  -14.55824 -3.84971  1.000 15.70848 ? 14  ARG A CA  1 
ATOM   100  C C   . ARG A 1 14  ? 13.15980  -14.36254 -2.40175  1.000 17.27759 ? 14  ARG A C   1 
ATOM   101  O O   . ARG A 1 14  ? 13.92412  -13.81942 -1.59679  1.000 20.63802 ? 14  ARG A O   1 
ATOM   102  C CB  . ARG A 1 14  ? 13.25001  -13.31867 -4.67720  1.000 20.40781 ? 14  ARG A CB  1 
ATOM   103  C CG  . ARG A 1 14  ? 12.88654  -12.10775 -3.83979  1.000 26.29194 ? 14  ARG A CG  1 
ATOM   104  C CD  . ARG A 1 14  ? 13.00548  -10.81136 -4.61600  1.000 37.48111 ? 14  ARG A CD  1 
ATOM   105  N NE  . ARG A 1 14  ? 12.30032  -9.72915  -3.93893  1.000 40.91197 ? 14  ARG A NE  1 
ATOM   106  C CZ  . ARG A 1 14  ? 11.17767  -9.18364  -4.38259  1.000 32.11681 ? 14  ARG A CZ  1 
ATOM   107  N NH1 . ARG A 1 14  ? 10.59675  -9.60831  -5.49231  1.000 34.58888 ? 14  ARG A NH1 1 
ATOM   108  N NH2 . ARG A 1 14  ? 10.62042  -8.19325  -3.69164  1.000 40.93908 ? 14  ARG A NH2 1 
ATOM   109  N N   . HIS A 1 15  ? 11.94461  -14.78652 -2.04880  1.000 11.88135 ? 15  HIS A N   1 
ATOM   110  C CA  . HIS A 1 15  ? 11.45564  -14.62932 -0.68798  1.000 14.28358 ? 15  HIS A CA  1 
ATOM   111  C C   . HIS A 1 15  ? 11.79624  -15.81979 0.20798   1.000 13.43547 ? 15  HIS A C   1 
ATOM   112  O O   . HIS A 1 15  ? 11.30807  -15.88874 1.33894   1.000 16.73299 ? 15  HIS A O   1 
ATOM   113  C CB  . HIS A 1 15  ? 9.94870   -14.37204 -0.70214  1.000 13.07685 ? 15  HIS A CB  1 
ATOM   114  C CG  . HIS A 1 15  ? 9.57636   -13.01996 -1.23504  1.000 14.36068 ? 15  HIS A CG  1 
ATOM   115  N ND1 . HIS A 1 15  ? 9.15184   -12.82603 -2.53001  1.000 18.29527 ? 15  HIS A ND1 1 
ATOM   116  C CD2 . HIS A 1 15  ? 9.59189   -11.79579 -0.65789  1.000 17.23868 ? 15  HIS A CD2 1 
ATOM   117  C CE1 . HIS A 1 15  ? 8.89723   -11.54365 -2.72249  1.000 19.14898 ? 15  HIS A CE1 1 
ATOM   118  N NE2 . HIS A 1 15  ? 9.16025   -10.89678 -1.60342  1.000 15.47226 ? 15  HIS A NE2 1 
ATOM   119  N N   . GLY A 1 16  ? 12.62031  -16.74734 -0.25954  1.000 13.44932 ? 16  GLY A N   1 
ATOM   120  C CA  . GLY A 1 16  ? 13.18557  -17.75273 0.62180   1.000 16.23791 ? 16  GLY A CA  1 
ATOM   121  C C   . GLY A 1 16  ? 12.42884  -19.05184 0.76968   1.000 15.84647 ? 16  GLY A C   1 
ATOM   122  O O   . GLY A 1 16  ? 12.68501  -19.78118 1.73464   1.000 14.89080 ? 16  GLY A O   1 
ATOM   123  N N   . LEU A 1 17  ? 11.50544  -19.37407 -0.14302  1.000 12.08928 ? 17  LEU A N   1 
ATOM   124  C CA  . LEU A 1 17  ? 10.77038  -20.62748 -0.01839  1.000 9.66121  ? 17  LEU A CA  1 
ATOM   125  C C   . LEU A 1 17  ? 11.50361  -21.84097 -0.58510  1.000 13.10452 ? 17  LEU A C   1 
ATOM   126  O O   . LEU A 1 17  ? 11.14550  -22.97097 -0.22963  1.000 13.78677 ? 17  LEU A O   1 
ATOM   127  C CB  . LEU A 1 17  ? 9.40559   -20.52710 -0.69824  1.000 15.35023 ? 17  LEU A CB  1 
ATOM   128  C CG  . LEU A 1 17  ? 8.33413   -19.79143 0.08978   1.000 12.23246 ? 17  LEU A CG  1 
ATOM   129  C CD1 . LEU A 1 17  ? 7.02541   -19.86649 -0.66125  1.000 11.02160 ? 17  LEU A CD1 1 
ATOM   130  C CD2 . LEU A 1 17  ? 8.18902   -20.40205 1.49598   1.000 13.49262 ? 17  LEU A CD2 1 
ATOM   131  N N   . ASP A 1 18  ? 12.48755  -21.66058 -1.47085  1.000 12.28216 ? 18  ASP A N   1 
ATOM   132  C CA  . ASP A 1 18  ? 13.15163  -22.81956 -2.06624  1.000 11.73729 ? 18  ASP A CA  1 
ATOM   133  C C   . ASP A 1 18  ? 13.89301  -23.60199 -0.99163  1.000 15.49665 ? 18  ASP A C   1 
ATOM   134  O O   . ASP A 1 18  ? 14.86109  -23.09860 -0.41255  1.000 17.41811 ? 18  ASP A O   1 
ATOM   135  C CB  . ASP A 1 18  ? 14.12631  -22.40493 -3.17972  1.000 20.91414 ? 18  ASP A CB  1 
ATOM   136  C CG  . ASP A 1 18  ? 14.72348  -23.60804 -3.94962  1.000 27.45667 ? 18  ASP A CG  1 
ATOM   137  O OD1 . ASP A 1 18  ? 14.18312  -24.74680 -3.90287  1.000 20.86670 ? 18  ASP A OD1 1 
ATOM   138  O OD2 . ASP A 1 18  ? 15.75526  -23.39820 -4.62409  1.000 34.97524 ? 18  ASP A OD2 1 
ATOM   139  N N   B ASN A 1 19  ? 13.44244  -24.82878 -0.72788  0.439 13.28794 ? 19  ASN A N   1 
ATOM   140  N N   C ASN A 1 19  ? 13.44753  -24.83186 -0.73252  0.561 13.27797 ? 19  ASN A N   1 
ATOM   141  C CA  B ASN A 1 19  ? 13.99753  -25.71725 0.28815   0.439 13.09003 ? 19  ASN A CA  1 
ATOM   142  C CA  C ASN A 1 19  ? 13.99355  -25.72081 0.28907   0.561 13.06604 ? 19  ASN A CA  1 
ATOM   143  C C   B ASN A 1 19  ? 13.70110  -25.25123 1.70643   0.439 11.98257 ? 19  ASN A C   1 
ATOM   144  C C   C ASN A 1 19  ? 13.69917  -25.25163 1.70635   0.561 11.95404 ? 19  ASN A C   1 
ATOM   145  O O   B ASN A 1 19  ? 14.33195  -25.72694 2.65638   0.439 14.03142 ? 19  ASN A O   1 
ATOM   146  O O   C ASN A 1 19  ? 14.32435  -25.73288 2.65755   0.561 14.03300 ? 19  ASN A O   1 
ATOM   147  C CB  B ASN A 1 19  ? 15.50873  -25.91047 0.10318   0.439 15.08897 ? 19  ASN A CB  1 
ATOM   148  C CB  C ASN A 1 19  ? 15.50330  -25.93354 0.11130   0.561 15.07727 ? 19  ASN A CB  1 
ATOM   149  C CG  B ASN A 1 19  ? 15.85169  -26.52477 -1.23666  0.439 16.73810 ? 19  ASN A CG  1 
ATOM   150  C CG  C ASN A 1 19  ? 15.94209  -27.33193 0.49542   0.561 14.66966 ? 19  ASN A CG  1 
ATOM   151  O OD1 B ASN A 1 19  ? 15.27851  -27.54079 -1.62564  0.439 18.69397 ? 19  ASN A OD1 1 
ATOM   152  O OD1 C ASN A 1 19  ? 15.13774  -28.26241 0.52362   0.561 19.67888 ? 19  ASN A OD1 1 
ATOM   153  N ND2 B ASN A 1 19  ? 16.77374  -25.89896 -1.96068  0.439 19.65800 ? 19  ASN A ND2 1 
ATOM   154  N ND2 C ASN A 1 19  ? 17.22796  -27.49139 0.77270   0.561 19.06545 ? 19  ASN A ND2 1 
ATOM   155  N N   . TYR A 1 20  ? 12.74030  -24.34647 1.88569   1.000 13.02893 ? 20  TYR A N   1 
ATOM   156  C CA  . TYR A 1 20  ? 12.35607  -23.94382 3.23154   1.000 10.32673 ? 20  TYR A CA  1 
ATOM   157  C C   . TYR A 1 20  ? 11.68193  -25.12143 3.92346   1.000 11.80978 ? 20  TYR A C   1 
ATOM   158  O O   . TYR A 1 20  ? 10.76150  -25.72710 3.36924   1.000 11.09582 ? 20  TYR A O   1 
ATOM   159  C CB  . TYR A 1 20  ? 11.41757  -22.73066 3.19570   1.000 13.17136 ? 20  TYR A CB  1 
ATOM   160  C CG  . TYR A 1 20  ? 11.21038  -22.14975 4.56609   1.000 10.07364 ? 20  TYR A CG  1 
ATOM   161  C CD1 . TYR A 1 20  ? 12.08399  -21.19242 5.07017   1.000 9.67856  ? 20  TYR A CD1 1 
ATOM   162  C CD2 . TYR A 1 20  ? 10.16834  -22.58353 5.37550   1.000 9.88869  ? 20  TYR A CD2 1 
ATOM   163  C CE1 . TYR A 1 20  ? 11.92027  -20.67651 6.34792   1.000 11.03473 ? 20  TYR A CE1 1 
ATOM   164  C CE2 . TYR A 1 20  ? 9.99882   -22.07779 6.64322   1.000 11.78194 ? 20  TYR A CE2 1 
ATOM   165  C CZ  . TYR A 1 20  ? 10.87915  -21.12341 7.12367   1.000 11.37685 ? 20  TYR A CZ  1 
ATOM   166  O OH  . TYR A 1 20  ? 10.69805  -20.62758 8.39041   1.000 15.59444 ? 20  TYR A OH  1 
ATOM   167  N N   . ARG A 1 21  ? 12.17456  -25.47442 5.11941   1.000 13.27144 ? 21  ARG A N   1 
ATOM   168  C CA  . ARG A 1 21  ? 11.73330  -26.67382 5.83574   1.000 10.10679 ? 21  ARG A CA  1 
ATOM   169  C C   . ARG A 1 21  ? 11.89759  -27.92223 4.97238   1.000 10.23199 ? 21  ARG A C   1 
ATOM   170  O O   . ARG A 1 21  ? 11.20613  -28.92627 5.16883   1.000 11.89786 ? 21  ARG A O   1 
ATOM   171  C CB  . ARG A 1 21  ? 10.28936  -26.53295 6.32203   1.000 13.52863 ? 21  ARG A CB  1 
ATOM   172  C CG  . ARG A 1 21  ? 10.12239  -25.64172 7.54033   1.000 21.25402 ? 21  ARG A CG  1 
ATOM   173  C CD  . ARG A 1 21  ? 10.49650  -26.37401 8.80738   1.000 28.39611 ? 21  ARG A CD  1 
ATOM   174  N NE  . ARG A 1 21  ? 10.91747  -25.45292 9.85670   1.000 38.94490 ? 21  ARG A NE  1 
ATOM   175  C CZ  . ARG A 1 21  ? 10.76890  -25.68195 11.15421  1.000 35.48084 ? 21  ARG A CZ  1 
ATOM   176  N NH1 . ARG A 1 21  ? 10.18279  -26.78244 11.59912  1.000 27.88505 ? 21  ARG A NH1 1 
ATOM   177  N NH2 . ARG A 1 21  ? 11.21564  -24.78276 12.02680  1.000 35.66597 ? 21  ARG A NH2 1 
ATOM   178  N N   . GLY A 1 22  ? 12.81972  -27.85570 4.01402   1.000 14.20327 ? 22  GLY A N   1 
ATOM   179  C CA  . GLY A 1 22  ? 13.14622  -28.96830 3.14826   1.000 12.11487 ? 22  GLY A CA  1 
ATOM   180  C C   . GLY A 1 22  ? 12.26871  -29.13466 1.92933   1.000 9.68023  ? 22  GLY A C   1 
ATOM   181  O O   . GLY A 1 22  ? 12.39688  -30.14736 1.22712   1.000 10.07105 ? 22  GLY A O   1 
ATOM   182  N N   . TYR A 1 23  ? 11.36749  -28.19429 1.65608   1.000 9.83504  ? 23  TYR A N   1 
ATOM   183  C CA  . TYR A 1 23  ? 10.44930  -28.32269 0.53703   1.000 8.43704  ? 23  TYR A CA  1 
ATOM   184  C C   . TYR A 1 23  ? 10.97954  -27.54523 -0.65581  1.000 7.86740  ? 23  TYR A C   1 
ATOM   185  O O   . TYR A 1 23  ? 11.06883  -26.31603 -0.60659  1.000 9.23005  ? 23  TYR A O   1 
ATOM   186  C CB  . TYR A 1 23  ? 9.05770   -27.83329 0.92399   1.000 6.83348  ? 23  TYR A CB  1 
ATOM   187  C CG  . TYR A 1 23  ? 8.38257   -28.77003 1.88157   1.000 7.09198  ? 23  TYR A CG  1 
ATOM   188  C CD1 . TYR A 1 23  ? 7.62470   -29.83209 1.40870   1.000 6.59259  ? 23  TYR A CD1 1 
ATOM   189  C CD2 . TYR A 1 23  ? 8.45558   -28.56719 3.26555   1.000 5.98726  ? 23  TYR A CD2 1 
ATOM   190  C CE1 . TYR A 1 23  ? 6.99498   -30.68979 2.26554   1.000 7.58851  ? 23  TYR A CE1 1 
ATOM   191  C CE2 . TYR A 1 23  ? 7.82994   -29.42463 4.12176   1.000 6.48157  ? 23  TYR A CE2 1 
ATOM   192  C CZ  . TYR A 1 23  ? 7.09962   -30.48749 3.62142   1.000 6.85457  ? 23  TYR A CZ  1 
ATOM   193  O OH  . TYR A 1 23  ? 6.45326   -31.35670 4.46877   1.000 7.96911  ? 23  TYR A OH  1 
ATOM   194  N N   . SER A 1 24  ? 11.31224  -28.26629 -1.72469  1.000 9.61758  ? 24  SER A N   1 
ATOM   195  C CA  . SER A 1 24  ? 11.83086  -27.63306 -2.92772  1.000 9.37044  ? 24  SER A CA  1 
ATOM   196  C C   . SER A 1 24  ? 10.78883  -26.72179 -3.56062  1.000 11.24290 ? 24  SER A C   1 
ATOM   197  O O   . SER A 1 24  ? 9.57889   -26.86942 -3.35540  1.000 9.62463  ? 24  SER A O   1 
ATOM   198  C CB  . SER A 1 24  ? 12.27333  -28.68638 -3.93971  1.000 10.82393 ? 24  SER A CB  1 
ATOM   199  O OG  . SER A 1 24  ? 11.18314  -29.50514 -4.30589  1.000 15.03090 ? 24  SER A OG  1 
ATOM   200  N N   . LEU A 1 25  ? 11.28912  -25.78626 -4.37558  1.000 9.67655  ? 25  LEU A N   1 
ATOM   201  C CA  . LEU A 1 25  ? 10.45663  -24.72198 -4.93491  1.000 7.23813  ? 25  LEU A CA  1 
ATOM   202  C C   . LEU A 1 25  ? 9.23914   -25.26414 -5.67919  1.000 9.26422  ? 25  LEU A C   1 
ATOM   203  O O   . LEU A 1 25  ? 8.14827   -24.68637 -5.59504  1.000 8.70454  ? 25  LEU A O   1 
ATOM   204  C CB  . LEU A 1 25  ? 11.31452  -23.83236 -5.83983  1.000 10.06479 ? 25  LEU A CB  1 
ATOM   205  C CG  . LEU A 1 25  ? 10.64167  -22.56086 -6.33206  1.000 10.90012 ? 25  LEU A CG  1 
ATOM   206  C CD1 . LEU A 1 25  ? 10.37565  -21.62582 -5.16438  1.000 11.75089 ? 25  LEU A CD1 1 
ATOM   207  C CD2 . LEU A 1 25  ? 11.56320  -21.88722 -7.34472  1.000 14.71065 ? 25  LEU A CD2 1 
ATOM   208  N N   . GLY A 1 26  ? 9.38756   -26.38174 -6.39740  1.000 8.69686  ? 26  GLY A N   1 
ATOM   209  C CA  . GLY A 1 26  ? 8.25260   -26.91940 -7.13258  1.000 6.48044  ? 26  GLY A CA  1 
ATOM   210  C C   . GLY A 1 26  ? 7.08140   -27.29928 -6.25241  1.000 8.35484  ? 26  GLY A C   1 
ATOM   211  O O   . GLY A 1 26  ? 5.93844   -27.30686 -6.70599  1.000 8.32183  ? 26  GLY A O   1 
ATOM   212  N N   . ASN A 1 27  ? 7.34924   -27.63507 -4.99111  1.000 8.41404  ? 27  ASN A N   1 
ATOM   213  C CA  . ASN A 1 27  ? 6.26772   -27.97536 -4.07845  1.000 5.84775  ? 27  ASN A CA  1 
ATOM   214  C C   . ASN A 1 27  ? 5.43307   -26.75244 -3.77725  1.000 5.35063  ? 27  ASN A C   1 
ATOM   215  O O   . ASN A 1 27  ? 4.20703   -26.83852 -3.67339  1.000 7.16642  ? 27  ASN A O   1 
ATOM   216  C CB  . ASN A 1 27  ? 6.84449   -28.51221 -2.76784  1.000 6.77667  ? 27  ASN A CB  1 
ATOM   217  C CG  . ASN A 1 27  ? 7.25938   -29.95743 -2.86708  1.000 8.26701  ? 27  ASN A CG  1 
ATOM   218  O OD1 . ASN A 1 27  ? 6.42276   -30.85893 -2.87244  1.000 8.33062  ? 27  ASN A OD1 1 
ATOM   219  N ND2 . ASN A 1 27  ? 8.57164   -30.18649 -2.91769  1.000 8.63515  ? 27  ASN A ND2 1 
ATOM   220  N N   . TRP A 1 28  ? 6.09479   -25.60588 -3.61424  1.000 9.07481  ? 28  TRP A N   1 
ATOM   221  C CA  . TRP A 1 28  ? 5.37988   -24.36840 -3.33605  1.000 7.07262  ? 28  TRP A CA  1 
ATOM   222  C C   . TRP A 1 28  ? 4.59917   -23.89407 -4.55557  1.000 6.62780  ? 28  TRP A C   1 
ATOM   223  O O   . TRP A 1 28  ? 3.46988   -23.39867 -4.42473  1.000 7.77526  ? 28  TRP A O   1 
ATOM   224  C CB  . TRP A 1 28  ? 6.37301   -23.30704 -2.86971  1.000 9.06482  ? 28  TRP A CB  1 
ATOM   225  C CG  . TRP A 1 28  ? 7.05002   -23.70913 -1.58191  1.000 8.43965  ? 28  TRP A CG  1 
ATOM   226  C CD1 . TRP A 1 28  ? 8.30522   -24.25028 -1.42571  1.000 7.76003  ? 28  TRP A CD1 1 
ATOM   227  C CD2 . TRP A 1 28  ? 6.48429   -23.63243 -0.27167  1.000 7.83701  ? 28  TRP A CD2 1 
ATOM   228  N NE1 . TRP A 1 28  ? 8.55681   -24.48143 -0.10001  1.000 7.33706  ? 28  TRP A NE1 1 
ATOM   229  C CE2 . TRP A 1 28  ? 7.44929   -24.12717 0.63162   1.000 5.37749  ? 28  TRP A CE2 1 
ATOM   230  C CE3 . TRP A 1 28  ? 5.25625   -23.17214 0.22933   1.000 8.22992  ? 28  TRP A CE3 1 
ATOM   231  C CZ2 . TRP A 1 28  ? 7.22980   -24.15640 2.00986   1.000 7.03917  ? 28  TRP A CZ2 1 
ATOM   232  C CZ3 . TRP A 1 28  ? 5.03037   -23.22385 1.59504   1.000 11.39672 ? 28  TRP A CZ3 1 
ATOM   233  C CH2 . TRP A 1 28  ? 6.00715   -23.71972 2.46453   1.000 8.54480  ? 28  TRP A CH2 1 
ATOM   234  N N   . VAL A 1 29  ? 5.18819   -24.02234 -5.74743  1.000 6.24765  ? 29  VAL A N   1 
ATOM   235  C CA  . VAL A 1 29  ? 4.48607   -23.59020 -6.95370  1.000 6.66946  ? 29  VAL A CA  1 
ATOM   236  C C   . VAL A 1 29  ? 3.27035   -24.47523 -7.19545  1.000 6.05410  ? 29  VAL A C   1 
ATOM   237  O O   . VAL A 1 29  ? 2.18718   -23.99214 -7.55173  1.000 7.58994  ? 29  VAL A O   1 
ATOM   238  C CB  . VAL A 1 29  ? 5.45201   -23.59713 -8.15365  1.000 7.52890  ? 29  VAL A CB  1 
ATOM   239  C CG1 . VAL A 1 29  ? 4.70475   -23.29684 -9.46996  1.000 8.71939  ? 29  VAL A CG1 1 
ATOM   240  C CG2 . VAL A 1 29  ? 6.59053   -22.61933 -7.92772  1.000 9.21495  ? 29  VAL A CG2 1 
ATOM   241  N N   . CYS A 1 30  ? 3.43436   -25.78827 -7.00372  1.000 5.91231  ? 30  CYS A N   1 
ATOM   242  C CA  . CYS A 1 30  ? 2.32098   -26.71432 -7.16999  1.000 6.21829  ? 30  CYS A CA  1 
ATOM   243  C C   . CYS A 1 30  ? 1.20381   -26.39076 -6.18966  1.000 7.87406  ? 30  CYS A C   1 
ATOM   244  O O   . CYS A 1 30  ? 0.02323   -26.38601 -6.55373  1.000 7.81443  ? 30  CYS A O   1 
ATOM   245  C CB  . CYS A 1 30  ? 2.81742   -28.15627 -6.98761  1.000 9.12486  ? 30  CYS A CB  1 
ATOM   246  S SG  . CYS A 1 30  ? 1.58843   -29.45380 -7.23891  1.000 8.20350  ? 30  CYS A SG  1 
ATOM   247  N N   . ALA A 1 31  ? 1.55512   -26.12204 -4.92959  1.000 5.82658  ? 31  ALA A N   1 
ATOM   248  C CA  . ALA A 1 31  ? 0.52202   -25.80728 -3.95588  1.000 7.11084  ? 31  ALA A CA  1 
ATOM   249  C C   . ALA A 1 31  ? -0.22117  -24.54681 -4.35028  1.000 6.18342  ? 31  ALA A C   1 
ATOM   250  O O   . ALA A 1 31  ? -1.45286  -24.49774 -4.26835  1.000 7.27758  ? 31  ALA A O   1 
ATOM   251  C CB  . ALA A 1 31  ? 1.13230   -25.65841 -2.56923  1.000 6.69526  ? 31  ALA A CB  1 
ATOM   252  N N   . ALA A 1 32  ? 0.50952   -23.51737 -4.80009  1.000 6.74227  ? 32  ALA A N   1 
ATOM   253  C CA  . ALA A 1 32  ? -0.16551  -22.30120 -5.24599  1.000 5.02735  ? 32  ALA A CA  1 
ATOM   254  C C   . ALA A 1 32  ? -1.06681  -22.56542 -6.44193  1.000 5.19673  ? 32  ALA A C   1 
ATOM   255  O O   . ALA A 1 32  ? -2.16458  -21.99529 -6.53236  1.000 8.03085  ? 32  ALA A O   1 
ATOM   256  C CB  . ALA A 1 32  ? 0.84832   -21.21217 -5.57723  1.000 8.85752  ? 32  ALA A CB  1 
ATOM   257  N N   . LYS A 1 33  ? -0.61231  -23.40039 -7.38274  1.000 5.90543  ? 33  LYS A N   1 
ATOM   258  C CA  . LYS A 1 33  ? -1.45140  -23.72111 -8.53181  1.000 6.65684  ? 33  LYS A CA  1 
ATOM   259  C C   . LYS A 1 33  ? -2.80365  -24.25422 -8.08685  1.000 7.72110  ? 33  LYS A C   1 
ATOM   260  O O   . LYS A 1 33  ? -3.85016  -23.78631 -8.55082  1.000 7.82237  ? 33  LYS A O   1 
ATOM   261  C CB  . LYS A 1 33  ? -0.74470  -24.73142 -9.44026  1.000 7.60167  ? 33  LYS A CB  1 
ATOM   262  C CG  . LYS A 1 33  ? -1.67224  -25.36827 -10.47380 1.000 11.49629 ? 33  LYS A CG  1 
ATOM   263  C CD  . LYS A 1 33  ? -2.08554  -24.38077 -11.55221 1.000 13.58613 ? 33  LYS A CD  1 
ATOM   264  C CE  . LYS A 1 33  ? -3.01094  -25.06134 -12.55856 1.000 17.38745 ? 33  LYS A CE  1 
ATOM   265  N NZ  . LYS A 1 33  ? -3.40874  -24.10532 -13.63957 1.000 21.30664 ? 33  LYS A NZ  1 
ATOM   266  N N   . PHE A 1 34  ? -2.80516  -25.22414 -7.17498  1.000 7.96214  ? 34  PHE A N   1 
ATOM   267  C CA  . PHE A 1 34  ? -4.06075  -25.87513 -6.84292  1.000 8.24931  ? 34  PHE A CA  1 
ATOM   268  C C   . PHE A 1 34  ? -4.81160  -25.19152 -5.70824  1.000 10.01523 ? 34  PHE A C   1 
ATOM   269  O O   . PHE A 1 34  ? -6.01164  -25.44557 -5.53706  1.000 11.85050 ? 34  PHE A O   1 
ATOM   270  C CB  . PHE A 1 34  ? -3.81030  -27.35919 -6.54776  1.000 7.53095  ? 34  PHE A CB  1 
ATOM   271  C CG  . PHE A 1 34  ? -3.39263  -28.13063 -7.77511  1.000 6.68999  ? 34  PHE A CG  1 
ATOM   272  C CD1 . PHE A 1 34  ? -4.20457  -28.14699 -8.89248  1.000 8.87946  ? 34  PHE A CD1 1 
ATOM   273  C CD2 . PHE A 1 34  ? -2.17885  -28.79168 -7.83424  1.000 11.01270 ? 34  PHE A CD2 1 
ATOM   274  C CE1 . PHE A 1 34  ? -3.84136  -28.84168 -10.03198 1.000 9.82824  ? 34  PHE A CE1 1 
ATOM   275  C CE2 . PHE A 1 34  ? -1.79594  -29.48898 -8.98242  1.000 13.98236 ? 34  PHE A CE2 1 
ATOM   276  C CZ  . PHE A 1 34  ? -2.63701  -29.50903 -10.08597 1.000 10.62953 ? 34  PHE A CZ  1 
ATOM   277  N N   . GLU A 1 35  ? -4.15796  -24.31626 -4.95122  1.000 7.82762  ? 35  GLU A N   1 
ATOM   278  C CA  . GLU A 1 35  ? -4.89576  -23.52288 -3.97705  1.000 7.53936  ? 35  GLU A CA  1 
ATOM   279  C C   . GLU A 1 35  ? -5.60843  -22.34037 -4.62815  1.000 9.43474  ? 35  GLU A C   1 
ATOM   280  O O   . GLU A 1 35  ? -6.77492  -22.07619 -4.32472  1.000 9.78595  ? 35  GLU A O   1 
ATOM   281  C CB  . GLU A 1 35  ? -3.96054  -23.03656 -2.85884  1.000 6.49341  ? 35  GLU A CB  1 
ATOM   282  C CG  . GLU A 1 35  ? -3.38417  -24.11801 -1.93085  1.000 8.53344  ? 35  GLU A CG  1 
ATOM   283  C CD  . GLU A 1 35  ? -4.44561  -24.75390 -1.04535  1.000 8.45460  ? 35  GLU A CD  1 
ATOM   284  O OE1 . GLU A 1 35  ? -5.59881  -24.27792 -1.06720  1.000 8.28759  ? 35  GLU A OE1 1 
ATOM   285  O OE2 . GLU A 1 35  ? -4.15201  -25.71721 -0.30796  1.000 9.72773  ? 35  GLU A OE2 1 
ATOM   286  N N   . SER A 1 36  ? -4.92038  -21.60953 -5.51669  1.000 8.45511  ? 36  SER A N   1 
ATOM   287  C CA  . SER A 1 36  ? -5.41177  -20.32337 -5.99249  1.000 7.70389  ? 36  SER A CA  1 
ATOM   288  C C   . SER A 1 36  ? -5.40257  -20.17687 -7.50198  1.000 8.74430  ? 36  SER A C   1 
ATOM   289  O O   . SER A 1 36  ? -5.82778  -19.13027 -8.00416  1.000 10.54251 ? 36  SER A O   1 
ATOM   290  C CB  . SER A 1 36  ? -4.56103  -19.19956 -5.41031  1.000 7.23611  ? 36  SER A CB  1 
ATOM   291  O OG  . SER A 1 36  ? -3.23426  -19.29446 -5.91276  1.000 7.08345  ? 36  SER A OG  1 
ATOM   292  N N   . ASN A 1 37  ? -4.89458  -21.16436 -8.23277  1.000 6.96825  ? 37  ASN A N   1 
ATOM   293  C CA  . ASN A 1 37  ? -4.63040  -21.02510 -9.66318  1.000 11.57000 ? 37  ASN A CA  1 
ATOM   294  C C   . ASN A 1 37  ? -3.78875  -19.78252 -9.94087  1.000 11.06956 ? 37  ASN A C   1 
ATOM   295  O O   . ASN A 1 37  ? -3.97745  -19.08403 -10.93659 1.000 12.32709 ? 37  ASN A O   1 
ATOM   296  C CB  . ASN A 1 37  ? -5.93096  -21.01234 -10.46669 1.000 15.30022 ? 37  ASN A CB  1 
ATOM   297  C CG  . ASN A 1 37  ? -5.72892  -21.47092 -11.88722 1.000 15.87093 ? 37  ASN A CG  1 
ATOM   298  O OD1 . ASN A 1 37  ? -4.67563  -22.01508 -12.23919 1.000 19.75534 ? 37  ASN A OD1 1 
ATOM   299  N ND2 . ASN A 1 37  ? -6.74647  -21.26440 -12.72406 1.000 22.28112 ? 37  ASN A ND2 1 
ATOM   300  N N   . PHE A 1 38  ? -2.85092  -19.50619 -9.03082  1.000 7.32629  ? 38  PHE A N   1 
ATOM   301  C CA  . PHE A 1 38  ? -1.86782  -18.43165 -9.13919  1.000 5.29528  ? 38  PHE A CA  1 
ATOM   302  C C   . PHE A 1 38  ? -2.48947  -17.04596 -8.98756  1.000 10.57238 ? 38  PHE A C   1 
ATOM   303  O O   . PHE A 1 38  ? -1.83755  -16.04761 -9.29810  1.000 10.22777 ? 38  PHE A O   1 
ATOM   304  C CB  . PHE A 1 38  ? -1.07634  -18.49775 -10.45961 1.000 9.39452  ? 38  PHE A CB  1 
ATOM   305  C CG  . PHE A 1 38  ? -0.30128  -19.76702 -10.66278 1.000 7.77279  ? 38  PHE A CG  1 
ATOM   306  C CD1 . PHE A 1 38  ? 0.36227   -20.37849 -9.61169  1.000 9.34455  ? 38  PHE A CD1 1 
ATOM   307  C CD2 . PHE A 1 38  ? -0.18523  -20.32130 -11.93157 1.000 9.01810  ? 38  PHE A CD2 1 
ATOM   308  C CE1 . PHE A 1 38  ? 1.10495   -21.53429 -9.81549  1.000 10.49836 ? 38  PHE A CE1 1 
ATOM   309  C CE2 . PHE A 1 38  ? 0.56701   -21.47392 -12.14252 1.000 11.29807 ? 38  PHE A CE2 1 
ATOM   310  C CZ  . PHE A 1 38  ? 1.20578   -22.08155 -11.08553 1.000 8.29170  ? 38  PHE A CZ  1 
ATOM   311  N N   . ASN A 1 39  ? -3.71459  -16.95740 -8.46287  1.000 8.86732  ? 39  ASN A N   1 
ATOM   312  C CA  . ASN A 1 39  ? -4.43751  -15.68689 -8.36671  1.000 8.71591  ? 39  ASN A CA  1 
ATOM   313  C C   . ASN A 1 39  ? -4.28691  -15.14200 -6.94217  1.000 9.75153  ? 39  ASN A C   1 
ATOM   314  O O   . ASN A 1 39  ? -4.81612  -15.73109 -5.99087  1.000 8.63281  ? 39  ASN A O   1 
ATOM   315  C CB  . ASN A 1 39  ? -5.90481  -15.88448 -8.75462  1.000 10.57599 ? 39  ASN A CB  1 
ATOM   316  C CG  . ASN A 1 39  ? -6.69045  -14.57076 -8.83340  1.000 11.09199 ? 39  ASN A CG  1 
ATOM   317  O OD1 . ASN A 1 39  ? -6.22876  -13.52050 -8.38127  1.000 9.13780  ? 39  ASN A OD1 1 
ATOM   318  N ND2 . ASN A 1 39  ? -7.88737  -14.63913 -9.41704  1.000 15.55835 ? 39  ASN A ND2 1 
ATOM   319  N N   . THR A 1 40  ? -3.55158  -14.02017 -6.78862  1.000 8.53780  ? 40  THR A N   1 
ATOM   320  C CA  . THR A 1 40  ? -3.33875  -13.46132 -5.45184  1.000 6.91912  ? 40  THR A CA  1 
ATOM   321  C C   . THR A 1 40  ? -4.64268  -13.05870 -4.77897  1.000 5.50764  ? 40  THR A C   1 
ATOM   322  O O   . THR A 1 40  ? -4.69459  -13.00309 -3.54204  1.000 8.77143  ? 40  THR A O   1 
ATOM   323  C CB  . THR A 1 40  ? -2.42725  -12.22706 -5.46289  1.000 8.86285  ? 40  THR A CB  1 
ATOM   324  O OG1 . THR A 1 40  ? -2.99581  -11.20025 -6.29458  1.000 12.28292 ? 40  THR A OG1 1 
ATOM   325  C CG2 . THR A 1 40  ? -1.02770  -12.56102 -5.95629  1.000 11.69809 ? 40  THR A CG2 1 
ATOM   326  N N   . GLN A 1 41  ? -5.68901  -12.77978 -5.55904  1.000 7.63350  ? 41  GLN A N   1 
ATOM   327  C CA  . GLN A 1 41  ? -6.93564  -12.28122 -4.99700  1.000 7.82239  ? 41  GLN A CA  1 
ATOM   328  C C   . GLN A 1 41  ? -7.91209  -13.38728 -4.63667  1.000 9.65280  ? 41  GLN A C   1 
ATOM   329  O O   . GLN A 1 41  ? -9.03797  -13.08877 -4.23808  1.000 9.26414  ? 41  GLN A O   1 
ATOM   330  C CB  . GLN A 1 41  ? -7.60119  -11.30401 -5.97462  1.000 7.61824  ? 41  GLN A CB  1 
ATOM   331  C CG  . GLN A 1 41  ? -6.75489  -10.06616 -6.24873  1.000 9.30731  ? 41  GLN A CG  1 
ATOM   332  C CD  . GLN A 1 41  ? -7.55629  -8.96640  -6.89255  1.000 10.39046 ? 41  GLN A CD  1 
ATOM   333  O OE1 . GLN A 1 41  ? -8.24486  -8.22666  -6.19742  1.000 12.22201 ? 41  GLN A OE1 1 
ATOM   334  N NE2 . GLN A 1 41  ? -7.49478  -8.86149  -8.21234  1.000 9.49955  ? 41  GLN A NE2 1 
ATOM   335  N N   . ALA A 1 42  ? -7.51362  -14.65149 -4.75769  1.000 6.98008  ? 42  ALA A N   1 
ATOM   336  C CA  . ALA A 1 42  ? -8.41325  -15.75239 -4.43907  1.000 6.98867  ? 42  ALA A CA  1 
ATOM   337  C C   . ALA A 1 42  ? -8.86503  -15.71470 -2.98520  1.000 8.96552  ? 42  ALA A C   1 
ATOM   338  O O   . ALA A 1 42  ? -8.05198  -15.55599 -2.07769  1.000 7.67192  ? 42  ALA A O   1 
ATOM   339  C CB  . ALA A 1 42  ? -7.70544  -17.07124 -4.71601  1.000 8.93090  ? 42  ALA A CB  1 
ATOM   340  N N   . THR A 1 43  ? -10.15990 -15.89120 -2.76434  1.000 9.06407  ? 43  THR A N   1 
ATOM   341  C CA  . THR A 1 43  ? -10.70257 -16.11444 -1.43093  1.000 9.43819  ? 43  THR A CA  1 
ATOM   342  C C   . THR A 1 43  ? -11.67437 -17.27624 -1.48386  1.000 10.39146 ? 43  THR A C   1 
ATOM   343  O O   . THR A 1 43  ? -12.33140 -17.50821 -2.49915  1.000 11.57848 ? 43  THR A O   1 
ATOM   344  C CB  . THR A 1 43  ? -11.43762 -14.89059 -0.87176  1.000 10.58402 ? 43  THR A CB  1 
ATOM   345  O OG1 . THR A 1 43  ? -12.53804 -14.55863 -1.73291  1.000 12.44181 ? 43  THR A OG1 1 
ATOM   346  C CG2 . THR A 1 43  ? -10.51758 -13.68121 -0.74601  1.000 9.93595  ? 43  THR A CG2 1 
ATOM   347  N N   A ASN A 1 44  ? -11.74309 -18.01254 -0.37648  0.462 7.83352  ? 44  ASN A N   1 
ATOM   348  N N   B ASN A 1 44  ? -11.76550 -18.01935 -0.38790  0.538 7.82862  ? 44  ASN A N   1 
ATOM   349  C CA  A ASN A 1 44  ? -12.66515 -19.12846 -0.21479  0.462 7.76586  ? 44  ASN A CA  1 
ATOM   350  C CA  B ASN A 1 44  ? -12.77353 -19.06950 -0.31900  0.538 7.67241  ? 44  ASN A CA  1 
ATOM   351  C C   A ASN A 1 44  ? -13.23869 -19.09512 1.19069   0.462 11.03681 ? 44  ASN A C   1 
ATOM   352  C C   B ASN A 1 44  ? -13.24999 -19.22113 1.11711   0.538 10.98794 ? 44  ASN A C   1 
ATOM   353  O O   A ASN A 1 44  ? -12.48690 -19.09230 2.16851   0.462 9.10493  ? 44  ASN A O   1 
ATOM   354  O O   B ASN A 1 44  ? -12.44853 -19.44902 2.02945   0.538 8.95659  ? 44  ASN A O   1 
ATOM   355  C CB  A ASN A 1 44  ? -11.96519 -20.47187 -0.46032  0.462 10.96112 ? 44  ASN A CB  1 
ATOM   356  C CB  B ASN A 1 44  ? -12.23548 -20.38962 -0.88480  0.538 12.71191 ? 44  ASN A CB  1 
ATOM   357  C CG  A ASN A 1 44  ? -12.85875 -21.65872 -0.15468  0.462 13.65563 ? 44  ASN A CG  1 
ATOM   358  C CG  B ASN A 1 44  ? -12.07262 -20.34833 -2.41768  0.538 8.32589  ? 44  ASN A CG  1 
ATOM   359  O OD1 A ASN A 1 44  ? -13.81181 -21.92998 -0.88234  0.462 12.39685 ? 44  ASN A OD1 1 
ATOM   360  O OD1 B ASN A 1 44  ? -13.05654 -20.42177 -3.16313  0.538 14.33172 ? 44  ASN A OD1 1 
ATOM   361  N ND2 A ASN A 1 44  ? -12.55373 -22.37513 0.92887   0.462 15.13821 ? 44  ASN A ND2 1 
ATOM   362  N ND2 B ASN A 1 44  ? -10.82779 -20.23021 -2.88519  0.538 15.46104 ? 44  ASN A ND2 1 
ATOM   363  N N   . ARG A 1 45  ? -14.56365 -19.08346 1.29628   1.000 12.59826 ? 45  ARG A N   1 
ATOM   364  C CA  . ARG A 1 45  ? -15.21734 -19.11258 2.59836   1.000 11.69402 ? 45  ARG A CA  1 
ATOM   365  C C   . ARG A 1 45  ? -15.48455 -20.55910 3.01271   1.000 12.54736 ? 45  ARG A C   1 
ATOM   366  O O   . ARG A 1 45  ? -16.00614 -21.35132 2.22189   1.000 15.02833 ? 45  ARG A O   1 
ATOM   367  C CB  . ARG A 1 45  ? -16.51815 -18.31292 2.49166   1.000 17.56864 ? 45  ARG A CB  1 
ATOM   368  C CG  . ARG A 1 45  ? -17.50858 -18.47453 3.61238   1.000 20.72644 ? 45  ARG A CG  1 
ATOM   369  C CD  . ARG A 1 45  ? -17.02886 -17.75410 4.84586   1.000 12.00684 ? 45  ARG A CD  1 
ATOM   370  N NE  . ARG A 1 45  ? -16.33740 -16.50005 4.56104   1.000 16.35796 ? 45  ARG A NE  1 
ATOM   371  C CZ  . ARG A 1 45  ? -16.91819 -15.35604 4.22149   1.000 22.24239 ? 45  ARG A CZ  1 
ATOM   372  N NH1 . ARG A 1 45  ? -18.23173 -15.26934 4.04181   1.000 22.42922 ? 45  ARG A NH1 1 
ATOM   373  N NH2 . ARG A 1 45  ? -16.16121 -14.26338 4.07724   1.000 17.68269 ? 45  ARG A NH2 1 
ATOM   374  N N   . ASN A 1 46  ? -15.09651 -20.91027 4.23447   1.000 10.83372 ? 46  ASN A N   1 
ATOM   375  C CA  . ASN A 1 46  ? -15.36229 -22.23972 4.76101   1.000 14.44753 ? 46  ASN A CA  1 
ATOM   376  C C   . ASN A 1 46  ? -16.70724 -22.25150 5.46787   1.000 13.67073 ? 46  ASN A C   1 
ATOM   377  O O   . ASN A 1 46  ? -17.17337 -21.22617 5.96518   1.000 15.12714 ? 46  ASN A O   1 
ATOM   378  C CB  . ASN A 1 46  ? -14.25963 -22.67242 5.72941   1.000 18.62526 ? 46  ASN A CB  1 
ATOM   379  C CG  . ASN A 1 46  ? -14.31319 -24.16203 6.06845   1.000 38.60211 ? 46  ASN A CG  1 
ATOM   380  O OD1 . ASN A 1 46  ? -15.32511 -24.68057 6.56325   1.000 31.36097 ? 46  ASN A OD1 1 
ATOM   381  N ND2 . ASN A 1 46  ? -13.21559 -24.86009 5.79524   1.000 37.73069 ? 46  ASN A ND2 1 
ATOM   382  N N   . THR A 1 47  ? -17.32578 -23.43751 5.50883   1.000 18.10261 ? 47  THR A N   1 
ATOM   383  C CA  . THR A 1 47  ? -18.59589 -23.59037 6.20566   1.000 27.71233 ? 47  THR A CA  1 
ATOM   384  C C   . THR A 1 47  ? -18.47692 -23.18458 7.66781   1.000 23.76315 ? 47  THR A C   1 
ATOM   385  O O   . THR A 1 47  ? -19.44921 -22.70849 8.26843   1.000 18.66168 ? 47  THR A O   1 
ATOM   386  C CB  . THR A 1 47  ? -19.07658 -25.03833 6.08562   1.000 32.94232 ? 47  THR A CB  1 
ATOM   387  O OG1 . THR A 1 47  ? -19.08771 -25.42560 4.70412   1.000 36.72715 ? 47  THR A OG1 1 
ATOM   388  C CG2 . THR A 1 47  ? -20.47699 -25.18454 6.64968   1.000 35.16770 ? 47  THR A CG2 1 
ATOM   389  N N   . ASP A 1 48  ? -17.29420 -23.34330 8.25608   1.000 19.30564 ? 48  ASP A N   1 
ATOM   390  C CA  . ASP A 1 48  ? -17.13475 -22.98451 9.65596   1.000 20.29405 ? 48  ASP A CA  1 
ATOM   391  C C   . ASP A 1 48  ? -16.99132 -21.48585 9.87311   1.000 20.90607 ? 48  ASP A C   1 
ATOM   392  O O   . ASP A 1 48  ? -16.82937 -21.05594 11.01761  1.000 27.31858 ? 48  ASP A O   1 
ATOM   393  C CB  . ASP A 1 48  ? -15.95009 -23.74352 10.26938  1.000 19.97057 ? 48  ASP A CB  1 
ATOM   394  C CG  . ASP A 1 48  ? -14.63266 -23.49064 9.55388   1.000 25.42590 ? 48  ASP A CG  1 
ATOM   395  O OD1 . ASP A 1 48  ? -14.38964 -22.35108 9.09780   1.000 18.37698 ? 48  ASP A OD1 1 
ATOM   396  O OD2 . ASP A 1 48  ? -13.83187 -24.45091 9.46992   1.000 26.43964 ? 48  ASP A OD2 1 
ATOM   397  N N   . GLY A 1 49  ? -17.04396 -20.68157 8.81255   1.000 19.29576 ? 49  GLY A N   1 
ATOM   398  C CA  . GLY A 1 49  ? -17.00541 -19.24313 8.93913   1.000 17.19231 ? 49  GLY A CA  1 
ATOM   399  C C   . GLY A 1 49  ? -15.65187 -18.61464 8.69111   1.000 20.88839 ? 49  GLY A C   1 
ATOM   400  O O   . GLY A 1 49  ? -15.57864 -17.39040 8.51590   1.000 18.46618 ? 49  GLY A O   1 
ATOM   401  N N   . SER A 1 50  ? -14.58489 -19.40744 8.67921   1.000 12.83580 ? 50  SER A N   1 
ATOM   402  C CA  . SER A 1 50  ? -13.28112 -18.86755 8.35219   1.000 12.35209 ? 50  SER A CA  1 
ATOM   403  C C   . SER A 1 50  ? -13.16993 -18.66773 6.84443   1.000 13.88909 ? 50  SER A C   1 
ATOM   404  O O   . SER A 1 50  ? -13.98381 -19.16062 6.06191   1.000 16.66714 ? 50  SER A O   1 
ATOM   405  C CB  . SER A 1 50  ? -12.17540 -19.79052 8.86863   1.000 12.82153 ? 50  SER A CB  1 
ATOM   406  O OG  . SER A 1 50  ? -12.26311 -21.08659 8.30964   1.000 13.43833 ? 50  SER A OG  1 
ATOM   407  N N   . THR A 1 51  ? -12.14070 -17.93727 6.43149   1.000 8.42888  ? 51  THR A N   1 
ATOM   408  C CA  . THR A 1 51  ? -11.91649 -17.69585 5.01749   1.000 6.62985  ? 51  THR A CA  1 
ATOM   409  C C   . THR A 1 51  ? -10.44695 -17.95142 4.69909   1.000 8.04438  ? 51  THR A C   1 
ATOM   410  O O   . THR A 1 51  ? -9.56408  -17.65152 5.51735   1.000 7.91636  ? 51  THR A O   1 
ATOM   411  C CB  . THR A 1 51  ? -12.32003 -16.26024 4.63393   1.000 8.81939  ? 51  THR A CB  1 
ATOM   412  O OG1 . THR A 1 51  ? -13.70423 -16.05980 4.95619   1.000 9.62665  ? 51  THR A OG1 1 
ATOM   413  C CG2 . THR A 1 51  ? -12.12058 -15.99002 3.14683   1.000 9.35686  ? 51  THR A CG2 1 
ATOM   414  N N   . ASP A 1 52  ? -10.19948 -18.53380 3.52885   1.000 6.84598  ? 52  ASP A N   1 
ATOM   415  C CA  . ASP A 1 52  ? -8.85702  -18.75135 2.99781   1.000 6.08766  ? 52  ASP A CA  1 
ATOM   416  C C   . ASP A 1 52  ? -8.50932  -17.61646 2.04195   1.000 4.55675  ? 52  ASP A C   1 
ATOM   417  O O   . ASP A 1 52  ? -9.33365  -17.24743 1.19522   1.000 8.38764  ? 52  ASP A O   1 
ATOM   418  C CB  . ASP A 1 52  ? -8.77671  -20.07600 2.23427   1.000 7.96235  ? 52  ASP A CB  1 
ATOM   419  C CG  . ASP A 1 52  ? -9.09727  -21.26522 3.08545   1.000 12.64101 ? 52  ASP A CG  1 
ATOM   420  O OD1 . ASP A 1 52  ? -8.71484  -21.28977 4.27110   1.000 9.62305  ? 52  ASP A OD1 1 
ATOM   421  O OD2 . ASP A 1 52  ? -9.72776  -22.19658 2.53506   1.000 21.03217 ? 52  ASP A OD2 1 
ATOM   422  N N   . TYR A 1 53  ? -7.29020  -17.07100 2.15825   1.000 5.53010  ? 53  TYR A N   1 
ATOM   423  C CA  . TYR A 1 53  ? -6.89112  -15.86035 1.44469   1.000 5.41677  ? 53  TYR A CA  1 
ATOM   424  C C   . TYR A 1 53  ? -5.62507  -16.06088 0.63263   1.000 8.21808  ? 53  TYR A C   1 
ATOM   425  O O   . TYR A 1 53  ? -4.60420  -16.51287 1.16269   1.000 8.65008  ? 53  TYR A O   1 
ATOM   426  C CB  . TYR A 1 53  ? -6.64267  -14.69172 2.40049   1.000 5.05623  ? 53  TYR A CB  1 
ATOM   427  C CG  . TYR A 1 53  ? -7.85057  -14.24151 3.13656   1.000 5.30799  ? 53  TYR A CG  1 
ATOM   428  C CD1 . TYR A 1 53  ? -8.24780  -14.87548 4.29298   1.000 6.29680  ? 53  TYR A CD1 1 
ATOM   429  C CD2 . TYR A 1 53  ? -8.59029  -13.16214 2.68136   1.000 6.23621  ? 53  TYR A CD2 1 
ATOM   430  C CE1 . TYR A 1 53  ? -9.38114  -14.45427 4.99601   1.000 7.52396  ? 53  TYR A CE1 1 
ATOM   431  C CE2 . TYR A 1 53  ? -9.71239  -12.74282 3.35471   1.000 7.36108  ? 53  TYR A CE2 1 
ATOM   432  C CZ  . TYR A 1 53  ? -10.10661 -13.38440 4.50735   1.000 8.52850  ? 53  TYR A CZ  1 
ATOM   433  O OH  . TYR A 1 53  ? -11.23043 -12.94507 5.16987   1.000 10.68554 ? 53  TYR A OH  1 
ATOM   434  N N   . GLY A 1 54  ? -5.68164  -15.66509 -0.62585  1.000 6.02659  ? 54  GLY A N   1 
ATOM   435  C CA  . GLY A 1 54  ? -4.47559  -15.45745 -1.38935  1.000 8.52831  ? 54  GLY A CA  1 
ATOM   436  C C   . GLY A 1 54  ? -3.93032  -16.67127 -2.11147  1.000 6.55388  ? 54  GLY A C   1 
ATOM   437  O O   . GLY A 1 54  ? -4.54651  -17.73887 -2.25152  1.000 7.28473  ? 54  GLY A O   1 
ATOM   438  N N   . ILE A 1 55  ? -2.70468  -16.45674 -2.59036  1.000 9.11068  ? 55  ILE A N   1 
ATOM   439  C CA  . ILE A 1 55  ? -2.00241  -17.39762 -3.45313  1.000 7.85878  ? 55  ILE A CA  1 
ATOM   440  C C   . ILE A 1 55  ? -1.86003  -18.75998 -2.79535  1.000 7.20138  ? 55  ILE A C   1 
ATOM   441  O O   . ILE A 1 55  ? -1.84892  -19.78888 -3.47786  1.000 9.00895  ? 55  ILE A O   1 
ATOM   442  C CB  . ILE A 1 55  ? -0.63962  -16.77541 -3.82792  1.000 14.01308 ? 55  ILE A CB  1 
ATOM   443  C CG1 . ILE A 1 55  ? -0.00811  -17.48675 -5.00555  1.000 19.45238 ? 55  ILE A CG1 1 
ATOM   444  C CG2 . ILE A 1 55  ? 0.29477   -16.65274 -2.61227  1.000 13.35310 ? 55  ILE A CG2 1 
ATOM   445  C CD1 . ILE A 1 55  ? -0.45854  -16.90487 -6.30876  1.000 21.04656 ? 55  ILE A CD1 1 
ATOM   446  N N   . LEU A 1 56  ? -1.74836  -18.79659 -1.46531  1.000 9.96473  ? 56  LEU A N   1 
ATOM   447  C CA  . LEU A 1 56  ? -1.62263  -20.05306 -0.74100  1.000 6.85994  ? 56  LEU A CA  1 
ATOM   448  C C   . LEU A 1 56  ? -2.81265  -20.29737 0.18588   1.000 8.62749  ? 56  LEU A C   1 
ATOM   449  O O   . LEU A 1 56  ? -2.76377  -21.18273 1.04569   1.000 7.77483  ? 56  LEU A O   1 
ATOM   450  C CB  . LEU A 1 56  ? -0.29495  -20.11056 0.02009   1.000 8.36362  ? 56  LEU A CB  1 
ATOM   451  C CG  . LEU A 1 56  ? 0.93001   -20.31091 -0.88518  1.000 6.03643  ? 56  LEU A CG  1 
ATOM   452  C CD1 . LEU A 1 56  ? 2.18047   -20.03340 -0.09106  1.000 8.15212  ? 56  LEU A CD1 1 
ATOM   453  C CD2 . LEU A 1 56  ? 0.95741   -21.73420 -1.43865  1.000 11.58275 ? 56  LEU A CD2 1 
ATOM   454  N N   . GLN A 1 57  ? -3.90433  -19.56949 -0.02182  1.000 8.26217  ? 57  GLN A N   1 
ATOM   455  C CA  . GLN A 1 57  ? -5.17831  -19.85607 0.63776   1.000 7.69262  ? 57  GLN A CA  1 
ATOM   456  C C   . GLN A 1 57  ? -5.00747  -20.07048 2.14333   1.000 7.09286  ? 57  GLN A C   1 
ATOM   457  O O   . GLN A 1 57  ? -5.37652  -21.10295 2.71776   1.000 9.12394  ? 57  GLN A O   1 
ATOM   458  C CB  . GLN A 1 57  ? -5.86090  -21.04645 -0.03287  1.000 7.73587  ? 57  GLN A CB  1 
ATOM   459  C CG  . GLN A 1 57  ? -6.38701  -20.71548 -1.44454  1.000 5.82261  ? 57  GLN A CG  1 
ATOM   460  C CD  . GLN A 1 57  ? -7.54685  -19.73638 -1.38323  1.000 7.52133  ? 57  GLN A CD  1 
ATOM   461  O OE1 . GLN A 1 57  ? -8.68634  -20.14227 -1.16715  1.000 8.81668  ? 57  GLN A OE1 1 
ATOM   462  N NE2 . GLN A 1 57  ? -7.25884  -18.44818 -1.54056  1.000 7.16766  ? 57  GLN A NE2 1 
ATOM   463  N N   . ILE A 1 58  ? -4.46860  -19.03618 2.77077   1.000 6.91375  ? 58  ILE A N   1 
ATOM   464  C CA  . ILE A 1 58  ? -4.14007  -19.06180 4.18825   1.000 6.62104  ? 58  ILE A CA  1 
ATOM   465  C C   . ILE A 1 58  ? -5.38272  -18.70039 4.99406   1.000 9.13573  ? 58  ILE A C   1 
ATOM   466  O O   . ILE A 1 58  ? -6.09242  -17.73886 4.67024   1.000 6.46653  ? 58  ILE A O   1 
ATOM   467  C CB  . ILE A 1 58  ? -2.96305  -18.12320 4.46348   1.000 8.28461  ? 58  ILE A CB  1 
ATOM   468  C CG1 . ILE A 1 58  ? -1.71239  -18.76435 3.84658   1.000 6.99252  ? 58  ILE A CG1 1 
ATOM   469  C CG2 . ILE A 1 58  ? -2.82424  -17.83291 5.96057   1.000 10.78398 ? 58  ILE A CG2 1 
ATOM   470  C CD1 . ILE A 1 58  ? -0.46840  -17.90021 3.91667   1.000 11.96185 ? 58  ILE A CD1 1 
ATOM   471  N N   . ASN A 1 59  ? -5.67019  -19.50582 6.02600   1.000 7.41783  ? 59  ASN A N   1 
ATOM   472  C CA  . ASN A 1 59  ? -6.95538  -19.50722 6.72139   1.000 7.40910  ? 59  ASN A CA  1 
ATOM   473  C C   . ASN A 1 59  ? -6.99510  -18.57565 7.92466   1.000 8.96376  ? 59  ASN A C   1 
ATOM   474  O O   . ASN A 1 59  ? -6.06370  -18.52672 8.73174   1.000 9.58401  ? 59  ASN A O   1 
ATOM   475  C CB  . ASN A 1 59  ? -7.28540  -20.93157 7.17996   1.000 10.02875 ? 59  ASN A CB  1 
ATOM   476  C CG  . ASN A 1 59  ? -8.67722  -21.04644 7.76173   1.000 11.46642 ? 59  ASN A CG  1 
ATOM   477  O OD1 . ASN A 1 59  ? -8.86752  -20.92371 8.97158   1.000 16.32924 ? 59  ASN A OD1 1 
ATOM   478  N ND2 . ASN A 1 59  ? -9.65563  -21.25173 6.90891   1.000 12.66212 ? 59  ASN A ND2 1 
ATOM   479  N N   . SER A 1 60  ? -8.12930  -17.89637 8.08255   1.000 8.13597  ? 60  SER A N   1 
ATOM   480  C CA  . SER A 1 60  ? -8.29834  -16.87651 9.10411   1.000 8.87848  ? 60  SER A CA  1 
ATOM   481  C C   . SER A 1 60  ? -8.55450  -17.43460 10.50335  1.000 9.81890  ? 60  SER A C   1 
ATOM   482  O O   . SER A 1 60  ? -8.50083  -16.66650 11.47134  1.000 11.49458 ? 60  SER A O   1 
ATOM   483  C CB  . SER A 1 60  ? -9.43834  -15.94990 8.69312   1.000 7.23789  ? 60  SER A CB  1 
ATOM   484  O OG  . SER A 1 60  ? -10.67559 -16.65682 8.66142   1.000 8.62070  ? 60  SER A OG  1 
ATOM   485  N N   . ARG A 1 61  ? -8.80846  -18.73104 10.66105  1.000 12.74719 ? 61  ARG A N   1 
ATOM   486  C CA  . ARG A 1 61  ? -9.05848  -19.19723 12.02262  1.000 13.39413 ? 61  ARG A CA  1 
ATOM   487  C C   . ARG A 1 61  ? -7.79879  -19.11017 12.87551  1.000 15.37029 ? 61  ARG A C   1 
ATOM   488  O O   . ARG A 1 61  ? -7.87806  -18.79678 14.07074  1.000 15.82077 ? 61  ARG A O   1 
ATOM   489  C CB  . ARG A 1 61  ? -9.61533  -20.61730 12.01787  1.000 14.77351 ? 61  ARG A CB  1 
ATOM   490  C CG  . ARG A 1 61  ? -9.71264  -21.21731 13.42661  1.000 24.12592 ? 61  ARG A CG  1 
ATOM   491  C CD  . ARG A 1 61  ? -9.96876  -22.71392 13.41455  1.000 34.99711 ? 61  ARG A CD  1 
ATOM   492  N NE  . ARG A 1 61  ? -11.32110 -23.02516 12.96389  1.000 41.95695 ? 61  ARG A NE  1 
ATOM   493  C CZ  . ARG A 1 61  ? -11.95588 -24.16473 13.21054  1.000 49.22714 ? 61  ARG A CZ  1 
ATOM   494  N NH1 . ARG A 1 61  ? -11.39299 -25.13247 13.92108  1.000 40.27400 ? 61  ARG A NH1 1 
ATOM   495  N NH2 . ARG A 1 61  ? -13.18741 -24.33823 12.73265  1.000 33.81049 ? 61  ARG A NH2 1 
ATOM   496  N N   . TRP A 1 62  ? -6.63379  -19.30780 12.27722  0.934 11.17085 ? 62  TRP A N   1 
ATOM   497  C CA  . TRP A 1 62  ? -5.40114  -19.28803 13.04992  0.934 8.95867  ? 62  TRP A CA  1 
ATOM   498  C C   . TRP A 1 62  ? -4.44284  -18.18538 12.65589  0.934 8.32897  ? 62  TRP A C   1 
ATOM   499  O O   . TRP A 1 62  ? -3.76252  -17.63588 13.52521  0.934 11.37397 ? 62  TRP A O   1 
ATOM   500  C CB  . TRP A 1 62  ? -4.65910  -20.62496 12.91471  0.934 11.01845 ? 62  TRP A CB  1 
ATOM   501  C CG  . TRP A 1 62  ? -5.12647  -21.64649 13.88529  0.934 18.33636 ? 62  TRP A CG  1 
ATOM   502  C CD1 . TRP A 1 62  ? -5.88733  -22.73740 13.60728  0.934 22.64946 ? 62  TRP A CD1 1 
ATOM   503  C CD2 . TRP A 1 62  ? -4.88815  -21.66994 15.30177  0.934 20.76516 ? 62  TRP A CD2 1 
ATOM   504  N NE1 . TRP A 1 62  ? -6.12085  -23.44915 14.75119  0.934 22.98903 ? 62  TRP A NE1 1 
ATOM   505  C CE2 . TRP A 1 62  ? -5.51553  -22.82110 15.80680  0.934 22.49630 ? 62  TRP A CE2 1 
ATOM   506  C CE3 . TRP A 1 62  ? -4.19225  -20.83734 16.18693  0.934 22.45824 ? 62  TRP A CE3 1 
ATOM   507  C CZ2 . TRP A 1 62  ? -5.48044  -23.16162 17.16127  0.934 24.17814 ? 62  TRP A CZ2 1 
ATOM   508  C CZ3 . TRP A 1 62  ? -4.15169  -21.17920 17.53268  0.934 28.02463 ? 62  TRP A CZ3 1 
ATOM   509  C CH2 . TRP A 1 62  ? -4.79568  -22.32810 18.00611  0.934 28.23434 ? 62  TRP A CH2 1 
ATOM   510  N N   . TRP A 1 63  ? -4.37090  -17.83923 11.37073  1.000 10.51422 ? 63  TRP A N   1 
ATOM   511  C CA  . TRP A 1 63  ? -3.15766  -17.23014 10.84568  1.000 8.94008  ? 63  TRP A CA  1 
ATOM   512  C C   . TRP A 1 63  ? -3.25060  -15.74585 10.55636  1.000 7.70603  ? 63  TRP A C   1 
ATOM   513  O O   . TRP A 1 63  ? -2.22174  -15.07635 10.58935  1.000 8.39874  ? 63  TRP A O   1 
ATOM   514  C CB  . TRP A 1 63  ? -2.71856  -17.95194 9.57133   1.000 8.96557  ? 63  TRP A CB  1 
ATOM   515  C CG  . TRP A 1 63  ? -2.54351  -19.43462 9.80137   1.000 8.35192  ? 63  TRP A CG  1 
ATOM   516  C CD1 . TRP A 1 63  ? -3.33668  -20.44565 9.30907   1.000 8.71217  ? 63  TRP A CD1 1 
ATOM   517  C CD2 . TRP A 1 63  ? -1.55995  -20.06965 10.63587  1.000 8.20484  ? 63  TRP A CD2 1 
ATOM   518  N NE1 . TRP A 1 63  ? -2.88749  -21.66711 9.77593   1.000 10.48628 ? 63  TRP A NE1 1 
ATOM   519  C CE2 . TRP A 1 63  ? -1.79440  -21.46198 10.57525  1.000 9.67990  ? 63  TRP A CE2 1 
ATOM   520  C CE3 . TRP A 1 63  ? -0.48546  -19.59511 11.39472  1.000 7.86799  ? 63  TRP A CE3 1 
ATOM   521  C CZ2 . TRP A 1 63  ? -0.99920  -22.38444 11.26246  1.000 11.51577 ? 63  TRP A CZ2 1 
ATOM   522  C CZ3 . TRP A 1 63  ? 0.31077   -20.51663 12.07152  1.000 9.74907  ? 63  TRP A CZ3 1 
ATOM   523  C CH2 . TRP A 1 63  ? 0.03720   -21.88762 12.01058  1.000 10.96711 ? 63  TRP A CH2 1 
ATOM   524  N N   . CYS A 1 64  ? -4.43437  -15.20286 10.27434  1.000 9.60757  ? 64  CYS A N   1 
ATOM   525  C CA  . CYS A 1 64  ? -4.55446  -13.78121 9.96969   1.000 9.93797  ? 64  CYS A CA  1 
ATOM   526  C C   . CYS A 1 64  ? -5.85619  -13.28433 10.57796  1.000 11.04572 ? 64  CYS A C   1 
ATOM   527  O O   . CYS A 1 64  ? -6.72272  -14.08188 10.94459  1.000 8.31611  ? 64  CYS A O   1 
ATOM   528  C CB  . CYS A 1 64  ? -4.51622  -13.51249 8.45009   1.000 9.01164  ? 64  CYS A CB  1 
ATOM   529  S SG  . CYS A 1 64  ? -5.83418  -14.33769 7.50173   1.000 8.04281  ? 64  CYS A SG  1 
ATOM   530  N N   . ASN A 1 65  ? -5.98784  -11.95881 10.70700  1.000 10.54306 ? 65  ASN A N   1 
ATOM   531  C CA  . ASN A 1 65  ? -7.21352  -11.35820 11.22260  1.000 10.53452 ? 65  ASN A CA  1 
ATOM   532  C C   . ASN A 1 65  ? -8.05727  -10.79920 10.08511  1.000 9.76341  ? 65  ASN A C   1 
ATOM   533  O O   . ASN A 1 65  ? -7.58354  -9.95879  9.31088   1.000 10.67339 ? 65  ASN A O   1 
ATOM   534  C CB  . ASN A 1 65  ? -6.92800  -10.23922 12.21881  1.000 10.18065 ? 65  ASN A CB  1 
ATOM   535  C CG  . ASN A 1 65  ? -8.19982  -9.57111  12.68441  1.000 11.65306 ? 65  ASN A CG  1 
ATOM   536  O OD1 . ASN A 1 65  ? -9.07198  -10.22693 13.24920  1.000 14.89754 ? 65  ASN A OD1 1 
ATOM   537  N ND2 . ASN A 1 65  ? -8.32331  -8.26912  12.43027  1.000 14.66037 ? 65  ASN A ND2 1 
ATOM   538  N N   . ASP A 1 66  ? -9.31311  -11.24497 9.99551   1.000 7.37192  ? 66  ASP A N   1 
ATOM   539  C CA  . ASP A 1 66  ? -10.25589 -10.57686 9.10921   1.000 9.06547  ? 66  ASP A CA  1 
ATOM   540  C C   . ASP A 1 66  ? -11.45850 -10.00041 9.84367   1.000 11.74679 ? 66  ASP A C   1 
ATOM   541  O O   . ASP A 1 66  ? -12.38929 -9.52632  9.18891   1.000 14.46576 ? 66  ASP A O   1 
ATOM   542  C CB  . ASP A 1 66  ? -10.73556 -11.50551 7.98989   1.000 9.81005  ? 66  ASP A CB  1 
ATOM   543  C CG  . ASP A 1 66  ? -11.43367 -12.75991 8.49277   1.000 11.15890 ? 66  ASP A CG  1 
ATOM   544  O OD1 . ASP A 1 66  ? -11.77380 -12.88256 9.69405   1.000 12.23277 ? 66  ASP A OD1 1 
ATOM   545  O OD2 . ASP A 1 66  ? -11.68997 -13.64037 7.64317   1.000 10.91055 ? 66  ASP A OD2 1 
ATOM   546  N N   . GLY A 1 67  ? -11.47430 -10.04804 11.17215  1.000 11.98094 ? 67  GLY A N   1 
ATOM   547  C CA  . GLY A 1 67  ? -12.54890 -9.42884  11.93109  1.000 15.54469 ? 67  GLY A CA  1 
ATOM   548  C C   . GLY A 1 67  ? -13.89340 -10.10851 11.82445  1.000 19.44650 ? 67  GLY A C   1 
ATOM   549  O O   . GLY A 1 67  ? -14.89376 -9.54265  12.27540  1.000 19.62196 ? 67  GLY A O   1 
ATOM   550  N N   . ARG A 1 68  ? -13.95990 -11.31062 11.23068  1.000 15.36591 ? 68  ARG A N   1 
ATOM   551  C CA  . ARG A 1 68  ? -15.24624 -11.98933 11.07123  1.000 14.30236 ? 68  ARG A CA  1 
ATOM   552  C C   . ARG A 1 68  ? -15.10858 -13.50119 11.20263  1.000 18.38612 ? 68  ARG A C   1 
ATOM   553  O O   . ARG A 1 68  ? -15.91129 -14.24636 10.62736  1.000 25.56096 ? 68  ARG A O   1 
ATOM   554  C CB  . ARG A 1 68  ? -15.90477 -11.64122 9.72079   1.000 13.12272 ? 68  ARG A CB  1 
ATOM   555  C CG  . ARG A 1 68  ? -15.00446 -11.83236 8.48476   1.000 16.93496 ? 68  ARG A CG  1 
ATOM   556  C CD  . ARG A 1 68  ? -15.70918 -12.33359 7.20125   1.000 18.96103 ? 68  ARG A CD  1 
ATOM   557  N NE  . ARG A 1 68  ? -16.15608 -13.71878 7.29713   1.000 22.48721 ? 68  ARG A NE  1 
ATOM   558  C CZ  . ARG A 1 68  ? -17.42891 -14.10026 7.27526   1.000 24.01624 ? 68  ARG A CZ  1 
ATOM   559  N NH1 . ARG A 1 68  ? -18.40536 -13.23128 7.06707   1.000 27.41797 ? 68  ARG A NH1 1 
ATOM   560  N NH2 . ARG A 1 68  ? -17.72898 -15.38876 7.45471   1.000 16.13287 ? 68  ARG A NH2 1 
ATOM   561  N N   . THR A 1 69  ? -14.10015 -13.97233 11.94150  1.000 16.56850 ? 69  THR A N   1 
ATOM   562  C CA  . THR A 1 69  ? -13.86676 -15.40047 12.14818  1.000 14.01356 ? 69  THR A CA  1 
ATOM   563  C C   . THR A 1 69  ? -13.92861 -15.67103 13.64450  1.000 19.02029 ? 69  THR A C   1 
ATOM   564  O O   . THR A 1 69  ? -12.90998 -15.56900 14.34582  1.000 16.32196 ? 69  THR A O   1 
ATOM   565  C CB  . THR A 1 69  ? -12.52466 -15.82474 11.55063  1.000 13.42089 ? 69  THR A CB  1 
ATOM   566  O OG1 . THR A 1 69  ? -12.48795 -15.41994 10.16904  1.000 11.89598 ? 69  THR A OG1 1 
ATOM   567  C CG2 . THR A 1 69  ? -12.36190 -17.33521 11.63518  1.000 16.45755 ? 69  THR A CG2 1 
ATOM   568  N N   . PRO A 1 70  ? -15.11238 -15.97927 14.17669  1.000 31.45642 ? 70  PRO A N   1 
ATOM   569  C CA  . PRO A 1 70  ? -15.26990 -16.11605 15.62732  1.000 27.55356 ? 70  PRO A CA  1 
ATOM   570  C C   . PRO A 1 70  ? -14.28535 -17.09928 16.23525  1.000 28.91807 ? 70  PRO A C   1 
ATOM   571  O O   . PRO A 1 70  ? -14.05718 -18.18993 15.70973  1.000 34.32939 ? 70  PRO A O   1 
ATOM   572  C CB  . PRO A 1 70  ? -16.71104 -16.61232 15.76370  1.000 24.80304 ? 70  PRO A CB  1 
ATOM   573  C CG  . PRO A 1 70  ? -17.40953 -15.86733 14.67750  1.000 37.09773 ? 70  PRO A CG  1 
ATOM   574  C CD  . PRO A 1 70  ? -16.42229 -15.87815 13.50848  1.000 30.23762 ? 70  PRO A CD  1 
ATOM   575  N N   . GLY A 1 71  ? -13.69482 -16.68835 17.35473  1.000 27.12249 ? 71  GLY A N   1 
ATOM   576  C CA  . GLY A 1 71  ? -12.81060 -17.54939 18.10386  1.000 31.93374 ? 71  GLY A CA  1 
ATOM   577  C C   . GLY A 1 71  ? -11.44749 -17.73356 17.49673  1.000 27.02308 ? 71  GLY A C   1 
ATOM   578  O O   . GLY A 1 71  ? -10.75574 -18.69066 17.84445  1.000 32.62501 ? 71  GLY A O   1 
ATOM   579  N N   . SER A 1 72  ? -11.02441 -16.83641 16.61727  1.000 34.40963 ? 72  SER A N   1 
ATOM   580  C CA  . SER A 1 72  ? -9.81792  -17.04947 15.83827  1.000 27.67272 ? 72  SER A CA  1 
ATOM   581  C C   . SER A 1 72  ? -8.60992  -16.36576 16.46397  1.000 26.84250 ? 72  SER A C   1 
ATOM   582  O O   . SER A 1 72  ? -8.71852  -15.47025 17.30521  1.000 35.11367 ? 72  SER A O   1 
ATOM   583  C CB  . SER A 1 72  ? -9.99333  -16.53631 14.41304  1.000 19.38388 ? 72  SER A CB  1 
ATOM   584  O OG  . SER A 1 72  ? -9.63434  -15.17618 14.34500  1.000 22.27791 ? 72  SER A OG  1 
ATOM   585  N N   . ARG A 1 73  ? -7.44544  -16.80527 16.02549  1.000 24.73495 ? 73  ARG A N   1 
ATOM   586  C CA  . ARG A 1 73  ? -6.18732  -16.19068 16.38767  1.000 18.61663 ? 73  ARG A CA  1 
ATOM   587  C C   . ARG A 1 73  ? -5.64719  -15.46100 15.16657  1.000 15.88672 ? 73  ARG A C   1 
ATOM   588  O O   . ARG A 1 73  ? -6.27298  -15.43365 14.10556  1.000 20.92285 ? 73  ARG A O   1 
ATOM   589  C CB  . ARG A 1 73  ? -5.22637  -17.25447 16.91678  1.000 20.07291 ? 73  ARG A CB  1 
ATOM   590  C CG  . ARG A 1 73  ? -5.70751  -17.87526 18.24399  1.000 26.92222 ? 73  ARG A CG  1 
ATOM   591  C CD  . ARG A 1 73  ? -5.38580  -16.95484 19.41113  1.000 22.80175 ? 73  ARG A CD  1 
ATOM   592  N NE  . ARG A 1 73  ? -5.48249  -17.60333 20.71884  1.000 25.24486 ? 73  ARG A NE  1 
ATOM   593  C CZ  . ARG A 1 73  ? -6.45007  -17.39128 21.60449  1.000 30.68829 ? 73  ARG A CZ  1 
ATOM   594  N NH1 . ARG A 1 73  ? -7.47677  -16.59422 21.33857  1.000 28.36867 ? 73  ARG A NH1 1 
ATOM   595  N NH2 . ARG A 1 73  ? -6.37832  -17.97835 22.79723  1.000 22.87616 ? 73  ARG A NH2 1 
ATOM   596  N N   . ASN A 1 74  ? -4.47765  -14.86313 15.31993  1.000 15.89675 ? 74  ASN A N   1 
ATOM   597  C CA  . ASN A 1 74  ? -3.82553  -14.13461 14.24577  1.000 11.67854 ? 74  ASN A CA  1 
ATOM   598  C C   . ASN A 1 74  ? -2.32801  -14.39132 14.40405  1.000 8.23657  ? 74  ASN A C   1 
ATOM   599  O O   . ASN A 1 74  ? -1.53694  -13.51589 14.72973  1.000 11.30776 ? 74  ASN A O   1 
ATOM   600  C CB  . ASN A 1 74  ? -4.16934  -12.64286 14.31052  1.000 9.20114  ? 74  ASN A CB  1 
ATOM   601  C CG  . ASN A 1 74  ? -3.45665  -11.82639 13.26102  1.000 10.86760 ? 74  ASN A CG  1 
ATOM   602  O OD1 . ASN A 1 74  ? -2.87489  -12.36597 12.32189  1.000 12.80305 ? 74  ASN A OD1 1 
ATOM   603  N ND2 . ASN A 1 74  ? -3.50379  -10.50132 13.40714  1.000 10.12551 ? 74  ASN A ND2 1 
ATOM   604  N N   . LEU A 1 75  ? -1.92344  -15.64004 14.16367  1.000 10.97145 ? 75  LEU A N   1 
ATOM   605  C CA  . LEU A 1 75  ? -0.55774  -16.03612 14.50848  1.000 11.78338 ? 75  LEU A CA  1 
ATOM   606  C C   . LEU A 1 75  ? 0.48899   -15.45274 13.56467  1.000 9.42328  ? 75  LEU A C   1 
ATOM   607  O O   . LEU A 1 75  ? 1.66395   -15.36584 13.94278  1.000 12.02116 ? 75  LEU A O   1 
ATOM   608  C CB  . LEU A 1 75  ? -0.43635  -17.56021 14.54454  1.000 14.76967 ? 75  LEU A CB  1 
ATOM   609  C CG  . LEU A 1 75  ? -1.27097  -18.28518 15.60403  1.000 18.37603 ? 75  LEU A CG  1 
ATOM   610  C CD1 . LEU A 1 75  ? -1.05355  -19.77947 15.47734  1.000 18.51918 ? 75  LEU A CD1 1 
ATOM   611  C CD2 . LEU A 1 75  ? -0.97922  -17.80421 17.02241  1.000 17.76911 ? 75  LEU A CD2 1 
ATOM   612  N N   . CYS A 1 76  ? 0.11639   -15.05786 12.35299  1.000 10.43402 ? 76  CYS A N   1 
ATOM   613  C CA  . CYS A 1 76  ? 1.04683   -14.33848 11.49171  1.000 9.53028  ? 76  CYS A CA  1 
ATOM   614  C C   . CYS A 1 76  ? 1.02020   -12.83772 11.73769  1.000 10.24264 ? 76  CYS A C   1 
ATOM   615  O O   . CYS A 1 76  ? 1.80847   -12.10734 11.12766  1.000 9.68755  ? 76  CYS A O   1 
ATOM   616  C CB  . CYS A 1 76  ? 0.74903   -14.62883 10.01686  1.000 10.92939 ? 76  CYS A CB  1 
ATOM   617  S SG  . CYS A 1 76  ? 1.05368   -16.36823 9.63503   1.000 8.97066  ? 76  CYS A SG  1 
ATOM   618  N N   . ASN A 1 77  ? 0.13991   -12.37452 12.62914  1.000 10.71666 ? 77  ASN A N   1 
ATOM   619  C CA  . ASN A 1 77  ? 0.03929   -10.96864 13.01257  1.000 10.39425 ? 77  ASN A CA  1 
ATOM   620  C C   . ASN A 1 77  ? -0.10973  -10.06664 11.79111  1.000 10.00863 ? 77  ASN A C   1 
ATOM   621  O O   . ASN A 1 77  ? 0.62815   -9.09920  11.59606  1.000 14.76492 ? 77  ASN A O   1 
ATOM   622  C CB  . ASN A 1 77  ? 1.23274   -10.57070 13.88444  1.000 12.22317 ? 77  ASN A CB  1 
ATOM   623  C CG  . ASN A 1 77  ? 1.19264   -11.25517 15.24378  1.000 17.18607 ? 77  ASN A CG  1 
ATOM   624  O OD1 . ASN A 1 77  ? 0.31041   -10.97837 16.05628  1.000 21.04322 ? 77  ASN A OD1 1 
ATOM   625  N ND2 . ASN A 1 77  ? 2.13365   -12.15927 15.48992  1.000 27.95151 ? 77  ASN A ND2 1 
ATOM   626  N N   . ILE A 1 78  ? -1.10245  -10.38295 10.96197  1.000 11.71085 ? 78  ILE A N   1 
ATOM   627  C CA  . ILE A 1 78  ? -1.36046  -9.61469  9.74306   1.000 10.53200 ? 78  ILE A CA  1 
ATOM   628  C C   . ILE A 1 78  ? -2.85490  -9.57181  9.45991   1.000 12.53569 ? 78  ILE A C   1 
ATOM   629  O O   . ILE A 1 78  ? -3.57301  -10.53922 9.75044   1.000 10.70104 ? 78  ILE A O   1 
ATOM   630  C CB  . ILE A 1 78  ? -0.64135  -10.20656 8.52412   1.000 13.63494 ? 78  ILE A CB  1 
ATOM   631  C CG1 . ILE A 1 78  ? -0.98140  -11.68486 8.40026   1.000 11.80937 ? 78  ILE A CG1 1 
ATOM   632  C CG2 . ILE A 1 78  ? 0.87428   -9.93099  8.57604   1.000 18.59194 ? 78  ILE A CG2 1 
ATOM   633  C CD1 . ILE A 1 78  ? -0.54573  -12.27049 7.11370   1.000 21.33198 ? 78  ILE A CD1 1 
ATOM   634  N N   . PRO A 1 79  ? -3.35596  -8.49296  8.86805   1.000 11.77094 ? 79  PRO A N   1 
ATOM   635  C CA  . PRO A 1 79  ? -4.70708  -8.53134  8.30203   1.000 9.34508  ? 79  PRO A CA  1 
ATOM   636  C C   . PRO A 1 79  ? -4.74541  -9.51578  7.14476   1.000 6.27430  ? 79  PRO A C   1 
ATOM   637  O O   . PRO A 1 79  ? -3.79870  -9.61609  6.36094   1.000 10.06805 ? 79  PRO A O   1 
ATOM   638  C CB  . PRO A 1 79  ? -4.93502  -7.09343  7.82839   1.000 10.06467 ? 79  PRO A CB  1 
ATOM   639  C CG  . PRO A 1 79  ? -3.56598  -6.56396  7.58532   1.000 16.09913 ? 79  PRO A CG  1 
ATOM   640  C CD  . PRO A 1 79  ? -2.68218  -7.21008  8.61073   1.000 10.80314 ? 79  PRO A CD  1 
ATOM   641  N N   . CYS A 1 80  ? -5.84528  -10.26708 7.05107   1.000 6.99986  ? 80  CYS A N   1 
ATOM   642  C CA  . CYS A 1 80  ? -5.94334  -11.24685 5.97960   1.000 8.89072  ? 80  CYS A CA  1 
ATOM   643  C C   . CYS A 1 80  ? -5.85766  -10.57755 4.61358   1.000 6.92084  ? 80  CYS A C   1 
ATOM   644  O O   . CYS A 1 80  ? -5.37253  -11.18180 3.65454   1.000 8.47558  ? 80  CYS A O   1 
ATOM   645  C CB  . CYS A 1 80  ? -7.24610  -12.05631 6.11766   1.000 8.13758  ? 80  CYS A CB  1 
ATOM   646  S SG  . CYS A 1 80  ? -7.34826  -13.01088 7.64701   1.000 8.21997  ? 80  CYS A SG  1 
ATOM   647  N N   . SER A 1 81  ? -6.29126  -9.31862  4.51067   1.000 9.64976  ? 81  SER A N   1 
ATOM   648  C CA  . SER A 1 81  ? -6.21105  -8.61758  3.23580   1.000 8.84600  ? 81  SER A CA  1 
ATOM   649  C C   . SER A 1 81  ? -4.77315  -8.48875  2.75098   1.000 10.97931 ? 81  SER A C   1 
ATOM   650  O O   . SER A 1 81  ? -4.53116  -8.39514  1.53834   1.000 10.82607 ? 81  SER A O   1 
ATOM   651  C CB  . SER A 1 81  ? -6.87241  -7.23862  3.36109   1.000 8.87137  ? 81  SER A CB  1 
ATOM   652  O OG  . SER A 1 81  ? -6.16026  -6.41627  4.28702   1.000 12.16665 ? 81  SER A OG  1 
ATOM   653  N N   . ALA A 1 82  ? -3.80405  -8.49587  3.67185   1.000 9.98711  ? 82  ALA A N   1 
ATOM   654  C CA  . ALA A 1 82  ? -2.40766  -8.41014  3.26060   1.000 10.74611 ? 82  ALA A CA  1 
ATOM   655  C C   . ALA A 1 82  ? -1.97590  -9.63078  2.46521   1.000 9.48392  ? 82  ALA A C   1 
ATOM   656  O O   . ALA A 1 82  ? -0.99462  -9.56088  1.71180   1.000 10.26429 ? 82  ALA A O   1 
ATOM   657  C CB  . ALA A 1 82  ? -1.51681  -8.23134  4.48997   1.000 13.88899 ? 82  ALA A CB  1 
ATOM   658  N N   . LEU A 1 83  ? -2.69419  -10.73784 2.61096   1.000 11.00354 ? 83  LEU A N   1 
ATOM   659  C CA  . LEU A 1 83  ? -2.44366  -11.96440 1.86654   1.000 9.64868  ? 83  LEU A CA  1 
ATOM   660  C C   . LEU A 1 83  ? -3.00999  -11.93240 0.45039   1.000 10.40504 ? 83  LEU A C   1 
ATOM   661  O O   . LEU A 1 83  ? -2.82181  -12.90495 -0.28969  1.000 8.77151  ? 83  LEU A O   1 
ATOM   662  C CB  . LEU A 1 83  ? -3.03705  -13.14858 2.63787   1.000 9.55982  ? 83  LEU A CB  1 
ATOM   663  C CG  . LEU A 1 83  ? -2.54825  -13.31957 4.08076   1.000 11.65296 ? 83  LEU A CG  1 
ATOM   664  C CD1 . LEU A 1 83  ? -3.32730  -14.40666 4.81688   1.000 11.90152 ? 83  LEU A CD1 1 
ATOM   665  C CD2 . LEU A 1 83  ? -1.06289  -13.67832 4.02092   1.000 14.18834 ? 83  LEU A CD2 1 
ATOM   666  N N   . LEU A 1 84  ? -3.70757  -10.85803 0.06162   1.000 9.66692  ? 84  LEU A N   1 
ATOM   667  C CA  . LEU A 1 84  ? -4.23592  -10.70776 -1.28925  1.000 8.14715  ? 84  LEU A CA  1 
ATOM   668  C C   . LEU A 1 84  ? -3.40826  -9.76083  -2.14728  1.000 12.21776 ? 84  LEU A C   1 
ATOM   669  O O   . LEU A 1 84  ? -3.76048  -9.52855  -3.31530  1.000 14.17293 ? 84  LEU A O   1 
ATOM   670  C CB  . LEU A 1 84  ? -5.68698  -10.21084 -1.23737  1.000 11.19086 ? 84  LEU A CB  1 
ATOM   671  C CG  . LEU A 1 84  ? -6.68940  -11.02319 -0.41563  1.000 10.21203 ? 84  LEU A CG  1 
ATOM   672  C CD1 . LEU A 1 84  ? -8.06820  -10.43320 -0.47475  1.000 10.45844 ? 84  LEU A CD1 1 
ATOM   673  C CD2 . LEU A 1 84  ? -6.78540  -12.46825 -0.90177  1.000 8.63974  ? 84  LEU A CD2 1 
ATOM   674  N N   A SER A 1 85  ? -2.31236  -9.23194  -1.60864  0.612 9.98420  ? 85  SER A N   1 
ATOM   675  N N   B SER A 1 85  ? -2.33141  -9.20578  -1.60518  0.388 10.03567 ? 85  SER A N   1 
ATOM   676  C CA  A SER A 1 85  ? -1.48762  -8.26153  -2.32272  0.612 10.34984 ? 85  SER A CA  1 
ATOM   677  C CA  B SER A 1 85  ? -1.54449  -8.21697  -2.32605  0.388 10.43143 ? 85  SER A CA  1 
ATOM   678  C C   A SER A 1 85  ? -0.79478  -8.87601  -3.53436  0.612 13.75540 ? 85  SER A C   1 
ATOM   679  C C   B SER A 1 85  ? -0.78881  -8.84876  -3.48858  0.388 13.74525 ? 85  SER A C   1 
ATOM   680  O O   A SER A 1 85  ? -0.50737  -10.07465 -3.57406  0.612 14.09716 ? 85  SER A O   1 
ATOM   681  O O   B SER A 1 85  ? -0.42773  -10.02840 -3.46054  0.388 13.93741 ? 85  SER A O   1 
ATOM   682  C CB  A SER A 1 85  ? -0.42871  -7.68449  -1.38125  0.612 11.28126 ? 85  SER A CB  1 
ATOM   683  C CB  B SER A 1 85  ? -0.55264  -7.55646  -1.37689  0.388 11.67443 ? 85  SER A CB  1 
ATOM   684  O OG  A SER A 1 85  ? 0.47754   -6.86496  -2.10565  0.612 12.44834 ? 85  SER A OG  1 
ATOM   685  O OG  B SER A 1 85  ? 0.29596   -8.54206  -0.82655  0.388 11.05744 ? 85  SER A OG  1 
ATOM   686  N N   A SER A 1 86  ? -0.49944  -8.02991  -4.52902  0.612 13.28137 ? 86  SER A N   1 
ATOM   687  N N   B SER A 1 86  ? -0.52689  -8.03890  -4.51746  0.388 13.36662 ? 86  SER A N   1 
ATOM   688  C CA  A SER A 1 86  ? 0.31323   -8.50356  -5.64573  0.612 16.47712 ? 86  SER A CA  1 
ATOM   689  C CA  B SER A 1 86  ? 0.29444   -8.52149  -5.62271  0.388 16.39076 ? 86  SER A CA  1 
ATOM   690  C C   A SER A 1 86  ? 1.74666   -8.78751  -5.21101  0.612 11.04611 ? 86  SER A C   1 
ATOM   691  C C   B SER A 1 86  ? 1.72434   -8.81228  -5.18473  0.388 11.14215 ? 86  SER A C   1 
ATOM   692  O O   A SER A 1 86  ? 2.45536   -9.55233  -5.87605  0.612 18.77331 ? 86  SER A O   1 
ATOM   693  O O   B SER A 1 86  ? 2.40630   -9.61594  -5.82918  0.388 18.51781 ? 86  SER A O   1 
ATOM   694  C CB  A SER A 1 86  ? 0.27888   -7.49250  -6.79702  0.612 18.73975 ? 86  SER A CB  1 
ATOM   695  C CB  B SER A 1 86  ? 0.28415   -7.51114  -6.77106  0.388 18.68262 ? 86  SER A CB  1 
ATOM   696  O OG  A SER A 1 86  ? -1.02622  -7.37763  -7.32763  0.612 25.40103 ? 86  SER A OG  1 
ATOM   697  O OG  B SER A 1 86  ? 0.69833   -6.23297  -6.32693  0.388 23.71666 ? 86  SER A OG  1 
ATOM   698  N N   . ASP A 1 87  ? 2.18808   -8.18131  -4.10976  1.000 9.69098  ? 87  ASP A N   1 
ATOM   699  C CA  . ASP A 1 87  ? 3.47643   -8.49796  -3.50290  1.000 10.27906 ? 87  ASP A CA  1 
ATOM   700  C C   . ASP A 1 87  ? 3.27520   -9.68101  -2.55576  1.000 10.54750 ? 87  ASP A C   1 
ATOM   701  O O   . ASP A 1 87  ? 2.48366   -9.58376  -1.61090  1.000 12.23674 ? 87  ASP A O   1 
ATOM   702  C CB  . ASP A 1 87  ? 3.98584   -7.25990  -2.75975  1.000 12.12558 ? 87  ASP A CB  1 
ATOM   703  C CG  . ASP A 1 87  ? 5.34246   -7.44410  -2.09404  1.000 23.45332 ? 87  ASP A CG  1 
ATOM   704  O OD1 . ASP A 1 87  ? 5.62892   -8.50004  -1.49312  1.000 16.27129 ? 87  ASP A OD1 1 
ATOM   705  O OD2 . ASP A 1 87  ? 6.13789   -6.47733  -2.14243  1.000 28.03378 ? 87  ASP A OD2 1 
ATOM   706  N N   . ILE A 1 88  ? 3.98133   -10.79240 -2.78971  1.000 10.70275 ? 88  ILE A N   1 
ATOM   707  C CA  . ILE A 1 88  ? 3.67248   -12.01597 -2.04362  1.000 7.43933  ? 88  ILE A CA  1 
ATOM   708  C C   . ILE A 1 88  ? 4.38771   -12.12533 -0.70331  1.000 8.73828  ? 88  ILE A C   1 
ATOM   709  O O   . ILE A 1 88  ? 4.26577   -13.15470 -0.03170  1.000 9.41202  ? 88  ILE A O   1 
ATOM   710  C CB  . ILE A 1 88  ? 3.95426   -13.28973 -2.87233  1.000 7.82460  ? 88  ILE A CB  1 
ATOM   711  C CG1 . ILE A 1 88  ? 5.45209   -13.52347 -3.10793  1.000 10.12529 ? 88  ILE A CG1 1 
ATOM   712  C CG2 . ILE A 1 88  ? 3.20766   -13.23690 -4.19172  1.000 9.61426  ? 88  ILE A CG2 1 
ATOM   713  C CD1 . ILE A 1 88  ? 5.74740   -14.89878 -3.74023  1.000 11.52358 ? 88  ILE A CD1 1 
ATOM   714  N N   . THR A 1 89  ? 5.09179   -11.06780 -0.27714  1.000 11.87770 ? 89  THR A N   1 
ATOM   715  C CA  . THR A 1 89  ? 5.88274   -11.11661 0.95585   1.000 11.24430 ? 89  THR A CA  1 
ATOM   716  C C   . THR A 1 89  ? 5.06284   -11.59513 2.15432   1.000 7.44874  ? 89  THR A C   1 
ATOM   717  O O   . THR A 1 89  ? 5.46182   -12.53147 2.86424   1.000 9.19490  ? 89  THR A O   1 
ATOM   718  C CB  . THR A 1 89  ? 6.48740   -9.74230  1.25894   1.000 13.90745 ? 89  THR A CB  1 
ATOM   719  O OG1 . THR A 1 89  ? 7.37815   -9.36341  0.19967   1.000 13.49955 ? 89  THR A OG1 1 
ATOM   720  C CG2 . THR A 1 89  ? 7.26749   -9.77611  2.56339   1.000 19.38653 ? 89  THR A CG2 1 
ATOM   721  N N   . ALA A 1 90  ? 3.90734   -10.97018 2.40245   1.000 9.39146  ? 90  ALA A N   1 
ATOM   722  C CA  . ALA A 1 90  ? 3.13250   -11.34707 3.58565   1.000 7.36064  ? 90  ALA A CA  1 
ATOM   723  C C   . ALA A 1 90  ? 2.67997   -12.79965 3.50555   1.000 10.46074 ? 90  ALA A C   1 
ATOM   724  O O   . ALA A 1 90  ? 2.69277   -13.51940 4.51218   1.000 11.33034 ? 90  ALA A O   1 
ATOM   725  C CB  . ALA A 1 90  ? 1.92832   -10.41752 3.75861   1.000 10.64819 ? 90  ALA A CB  1 
ATOM   726  N N   . SER A 1 91  ? 2.27709   -13.25015 2.31599   1.000 7.96224  ? 91  SER A N   1 
ATOM   727  C CA  . SER A 1 91  ? 1.87785   -14.64757 2.15557   1.000 6.30366  ? 91  SER A CA  1 
ATOM   728  C C   . SER A 1 91  ? 3.04429   -15.59223 2.40008   1.000 9.59011  ? 91  SER A C   1 
ATOM   729  O O   . SER A 1 91  ? 2.87612   -16.64935 3.01788   1.000 7.65424  ? 91  SER A O   1 
ATOM   730  C CB  . SER A 1 91  ? 1.31106   -14.88176 0.75812   1.000 8.37005  ? 91  SER A CB  1 
ATOM   731  O OG  . SER A 1 91  ? -0.05327  -14.49588 0.71989   1.000 8.19224  ? 91  SER A OG  1 
ATOM   732  N N   . VAL A 1 92  ? 4.22301   -15.25688 1.87722   1.000 8.34552  ? 92  VAL A N   1 
ATOM   733  C CA  . VAL A 1 92  ? 5.38820   -16.11563 2.08273   1.000 7.15242  ? 92  VAL A CA  1 
ATOM   734  C C   . VAL A 1 92  ? 5.77259   -16.15098 3.55535   1.000 9.00843  ? 92  VAL A C   1 
ATOM   735  O O   . VAL A 1 92  ? 6.06585   -17.21986 4.11133   1.000 10.31762 ? 92  VAL A O   1 
ATOM   736  C CB  . VAL A 1 92  ? 6.56187   -15.63783 1.21283   1.000 6.92103  ? 92  VAL A CB  1 
ATOM   737  C CG1 . VAL A 1 92  ? 7.86109   -16.34972 1.64108   1.000 8.97658  ? 92  VAL A CG1 1 
ATOM   738  C CG2 . VAL A 1 92  ? 6.25242   -15.88001 -0.23376  1.000 8.27489  ? 92  VAL A CG2 1 
ATOM   739  N N   . ASN A 1 93  ? 5.81886   -14.98190 4.20581   1.000 9.24498  ? 93  ASN A N   1 
ATOM   740  C CA  . ASN A 1 93  ? 6.23171   -14.95762 5.60448   1.000 12.16910 ? 93  ASN A CA  1 
ATOM   741  C C   . ASN A 1 93  ? 5.26977   -15.75112 6.47087   1.000 9.82606  ? 93  ASN A C   1 
ATOM   742  O O   . ASN A 1 93  ? 5.68222   -16.44467 7.40449   1.000 9.74442  ? 93  ASN A O   1 
ATOM   743  C CB  . ASN A 1 93  ? 6.32740   -13.52055 6.11215   1.000 11.03032 ? 93  ASN A CB  1 
ATOM   744  C CG  . ASN A 1 93  ? 7.52448   -12.79681 5.57230   1.000 20.47943 ? 93  ASN A CG  1 
ATOM   745  O OD1 . ASN A 1 93  ? 8.44943   -13.41139 5.04289   1.000 23.36068 ? 93  ASN A OD1 1 
ATOM   746  N ND2 . ASN A 1 93  ? 7.51404   -11.48097 5.69436   1.000 21.71311 ? 93  ASN A ND2 1 
ATOM   747  N N   . CYS A 1 94  ? 3.97737   -15.68014 6.16082   1.000 8.83311  ? 94  CYS A N   1 
ATOM   748  C CA  . CYS A 1 94  ? 3.01050   -16.43489 6.94164   1.000 8.23081  ? 94  CYS A CA  1 
ATOM   749  C C   . CYS A 1 94  ? 3.09228   -17.92472 6.61406   1.000 9.91887  ? 94  CYS A C   1 
ATOM   750  O O   . CYS A 1 94  ? 3.04699   -18.76770 7.51961   1.000 9.24838  ? 94  CYS A O   1 
ATOM   751  C CB  . CYS A 1 94  ? 1.61365   -15.86710 6.69354   1.000 8.97925  ? 94  CYS A CB  1 
ATOM   752  S SG  . CYS A 1 94  ? 0.34113   -16.57798 7.73532   1.000 8.48548  ? 94  CYS A SG  1 
ATOM   753  N N   . ALA A 1 95  ? 3.24888   -18.26006 5.32713   1.000 6.67051  ? 95  ALA A N   1 
ATOM   754  C CA  . ALA A 1 95  ? 3.44668   -19.65068 4.92490   1.000 9.98710  ? 95  ALA A CA  1 
ATOM   755  C C   . ALA A 1 95  ? 4.63216   -20.28817 5.65197   1.000 7.47060  ? 95  ALA A C   1 
ATOM   756  O O   . ALA A 1 95  ? 4.59348   -21.47772 5.98765   1.000 8.26993  ? 95  ALA A O   1 
ATOM   757  C CB  . ALA A 1 95  ? 3.63975   -19.72090 3.40709   1.000 8.18295  ? 95  ALA A CB  1 
ATOM   758  N N   . LYS A 1 96  ? 5.70283   -19.52125 5.89050   1.000 8.97956  ? 96  LYS A N   1 
ATOM   759  C CA  . LYS A 1 96  ? 6.84774   -20.06728 6.61786   1.000 7.19537  ? 96  LYS A CA  1 
ATOM   760  C C   . LYS A 1 96  ? 6.45506   -20.49877 8.02262   1.000 8.75925  ? 96  LYS A C   1 
ATOM   761  O O   . LYS A 1 96  ? 6.96449   -21.50120 8.53353   1.000 9.85535  ? 96  LYS A O   1 
ATOM   762  C CB  . LYS A 1 96  ? 7.98926   -19.04705 6.67489   1.000 7.08819  ? 96  LYS A CB  1 
ATOM   763  C CG  . LYS A 1 96  ? 8.70393   -18.87936 5.32827   1.000 8.72527  ? 96  LYS A CG  1 
ATOM   764  C CD  . LYS A 1 96  ? 9.71991   -17.75176 5.38870   1.000 11.78564 ? 96  LYS A CD  1 
ATOM   765  C CE  . LYS A 1 96  ? 10.43929  -17.62416 4.05856   1.000 13.14953 ? 96  LYS A CE  1 
ATOM   766  N NZ  . LYS A 1 96  ? 11.41282  -16.50716 4.04596   1.000 17.90064 ? 96  LYS A NZ  1 
ATOM   767  N N   . LYS A 1 97  ? 5.56433   -19.74567 8.67215   1.000 9.56876  ? 97  LYS A N   1 
ATOM   768  C CA  . LYS A 1 97  ? 5.09577   -20.13710 9.99958   1.000 9.92415  ? 97  LYS A CA  1 
ATOM   769  C C   . LYS A 1 97  ? 4.20066   -21.36817 9.92325   1.000 9.13220  ? 97  LYS A C   1 
ATOM   770  O O   . LYS A 1 97  ? 4.30762   -22.28660 10.74805  1.000 10.96855 ? 97  LYS A O   1 
ATOM   771  C CB  . LYS A 1 97  ? 4.35262   -18.96556 10.64388  1.000 12.46994 ? 97  LYS A CB  1 
ATOM   772  C CG  . LYS A 1 97  ? 3.88656   -19.24043 12.06931  1.000 22.63023 ? 97  LYS A CG  1 
ATOM   773  C CD  . LYS A 1 97  ? 5.05782   -19.49825 13.00741  1.000 32.22967 ? 97  LYS A CD  1 
ATOM   774  C CE  . LYS A 1 97  ? 4.68557   -19.14317 14.43766  1.000 38.04606 ? 97  LYS A CE  1 
ATOM   775  N NZ  . LYS A 1 97  ? 3.23465   -19.41726 14.68430  1.000 22.56314 ? 97  LYS A NZ  1 
ATOM   776  N N   . ILE A 1 98  ? 3.32532   -21.41503 8.92448   1.000 9.11018  ? 98  ILE A N   1 
ATOM   777  C CA  . ILE A 1 98  ? 2.38429   -22.52142 8.79387   1.000 8.63294  ? 98  ILE A CA  1 
ATOM   778  C C   . ILE A 1 98  ? 3.12467   -23.83620 8.59454   1.000 11.73650 ? 98  ILE A C   1 
ATOM   779  O O   . ILE A 1 98  ? 2.83104   -24.84650 9.25262   1.000 10.70684 ? 98  ILE A O   1 
ATOM   780  C CB  . ILE A 1 98  ? 1.41326   -22.23715 7.63192   1.000 6.86479  ? 98  ILE A CB  1 
ATOM   781  C CG1 . ILE A 1 98  ? 0.52913   -21.04126 7.98053   1.000 9.14032  ? 98  ILE A CG1 1 
ATOM   782  C CG2 . ILE A 1 98  ? 0.52128   -23.43239 7.35570   1.000 11.08794 ? 98  ILE A CG2 1 
ATOM   783  C CD1 . ILE A 1 98  ? -0.27298  -20.53771 6.81344   1.000 7.65079  ? 98  ILE A CD1 1 
ATOM   784  N N   . VAL A 1 99  ? 4.07698   -23.85411 7.65710   1.000 10.56411 ? 99  VAL A N   1 
ATOM   785  C CA  . VAL A 1 99  ? 4.78753   -25.09109 7.33256   1.000 8.95469  ? 99  VAL A CA  1 
ATOM   786  C C   . VAL A 1 99  ? 5.63703   -25.57173 8.49541   1.000 12.35402 ? 99  VAL A C   1 
ATOM   787  O O   . VAL A 1 99  ? 6.18940   -26.67880 8.44809   1.000 10.28702 ? 99  VAL A O   1 
ATOM   788  C CB  . VAL A 1 99  ? 5.63344   -24.87229 6.05841   1.000 7.17162  ? 99  VAL A CB  1 
ATOM   789  C CG1 . VAL A 1 99  ? 6.85481   -23.99011 6.33691   1.000 9.15647  ? 99  VAL A CG1 1 
ATOM   790  C CG2 . VAL A 1 99  ? 5.99723   -26.22340 5.39741   1.000 7.33233  ? 99  VAL A CG2 1 
ATOM   791  N N   . SER A 1 100 ? 5.75029   -24.75410 9.53687   1.000 15.35161 ? 100 SER A N   1 
ATOM   792  C CA  . SER A 1 100 ? 6.48123   -25.08669 10.74661  1.000 15.79815 ? 100 SER A CA  1 
ATOM   793  C C   . SER A 1 100 ? 5.57891   -25.62173 11.85382  1.000 15.49910 ? 100 SER A C   1 
ATOM   794  O O   . SER A 1 100 ? 6.07045   -25.87648 12.96093  1.000 20.35439 ? 100 SER A O   1 
ATOM   795  C CB  . SER A 1 100 ? 7.23466   -23.84058 11.23025  1.000 15.58397 ? 100 SER A CB  1 
ATOM   796  O OG  . SER A 1 100 ? 8.19760   -23.42029 10.27259  1.000 14.89056 ? 100 SER A OG  1 
ATOM   797  N N   . ASP A 1 101 ? 4.28075   -25.81733 11.59066  1.000 14.76777 ? 101 ASP A N   1 
ATOM   798  C CA  . ASP A 1 101 ? 3.33488   -26.14992 12.65760  1.000 16.61325 ? 101 ASP A CA  1 
ATOM   799  C C   . ASP A 1 101 ? 3.32170   -27.63219 13.00094  1.000 20.65959 ? 101 ASP A C   1 
ATOM   800  O O   . ASP A 1 101 ? 2.48365   -28.06873 13.80813  1.000 16.93578 ? 101 ASP A O   1 
ATOM   801  C CB  . ASP A 1 101 ? 1.90988   -25.65012 12.32060  1.000 13.69070 ? 101 ASP A CB  1 
ATOM   802  C CG  . ASP A 1 101 ? 1.14996   -26.51886 11.30116  1.000 22.95362 ? 101 ASP A CG  1 
ATOM   803  O OD1 . ASP A 1 101 ? 1.60412   -27.60221 10.87062  1.000 17.52088 ? 101 ASP A OD1 1 
ATOM   804  O OD2 . ASP A 1 101 ? 0.03279   -26.09590 10.92977  1.000 17.36511 ? 101 ASP A OD2 1 
ATOM   805  N N   . GLY A 1 102 ? 4.22465   -28.41492 12.40899  1.000 15.85076 ? 102 GLY A N   1 
ATOM   806  C CA  . GLY A 1 102 ? 4.36925   -29.82146 12.71746  1.000 21.67410 ? 102 GLY A CA  1 
ATOM   807  C C   . GLY A 1 102 ? 3.94134   -30.74142 11.59475  1.000 18.51253 ? 102 GLY A C   1 
ATOM   808  O O   . GLY A 1 102 ? 4.41977   -31.88095 11.52630  1.000 19.33036 ? 102 GLY A O   1 
ATOM   809  N N   . ASN A 1 103 ? 3.05084   -30.27781 10.71582  1.000 14.16343 ? 103 ASN A N   1 
ATOM   810  C CA  . ASN A 1 103 ? 2.58502   -31.08802 9.59764   1.000 11.91912 ? 103 ASN A CA  1 
ATOM   811  C C   . ASN A 1 103 ? 3.26443   -30.73771 8.28398   1.000 10.40797 ? 103 ASN A C   1 
ATOM   812  O O   . ASN A 1 103 ? 2.90065   -31.31161 7.24928   1.000 9.35509  ? 103 ASN A O   1 
ATOM   813  C CB  . ASN A 1 103 ? 1.06736   -30.95472 9.42267   1.000 17.35004 ? 103 ASN A CB  1 
ATOM   814  C CG  . ASN A 1 103 ? 0.29075   -31.80198 10.41054  1.000 29.72920 ? 103 ASN A CG  1 
ATOM   815  O OD1 . ASN A 1 103 ? 0.84148   -32.70229 11.04787  1.000 34.29957 ? 103 ASN A OD1 1 
ATOM   816  N ND2 . ASN A 1 103 ? -1.00108  -31.52022 10.53804  1.000 42.31265 ? 103 ASN A ND2 1 
ATOM   817  N N   . GLY A 1 104 ? 4.24416   -29.83663 8.29371   1.000 8.10396  ? 104 GLY A N   1 
ATOM   818  C CA  . GLY A 1 104 ? 4.93563   -29.53656 7.04815   1.000 7.78894  ? 104 GLY A CA  1 
ATOM   819  C C   . GLY A 1 104 ? 3.95149   -29.00538 6.02528   1.000 8.30255  ? 104 GLY A C   1 
ATOM   820  O O   . GLY A 1 104 ? 2.98056   -28.33140 6.37361   1.000 9.83534  ? 104 GLY A O   1 
ATOM   821  N N   . MET A 1 105 ? 4.16565   -29.33550 4.75405   1.000 7.35958  ? 105 MET A N   1 
ATOM   822  C CA  . MET A 1 105 ? 3.21742   -28.84839 3.75972   1.000 7.09537  ? 105 MET A CA  1 
ATOM   823  C C   . MET A 1 105 ? 1.90634   -29.62572 3.73281   1.000 6.33088  ? 105 MET A C   1 
ATOM   824  O O   . MET A 1 105 ? 1.00017   -29.22372 2.98950   1.000 7.02873  ? 105 MET A O   1 
ATOM   825  C CB  . MET A 1 105 ? 3.84180   -28.78683 2.35500   1.000 5.74913  ? 105 MET A CB  1 
ATOM   826  C CG  . MET A 1 105 ? 4.88616   -27.67063 2.19777   1.000 5.06991  ? 105 MET A CG  1 
ATOM   827  S SD  . MET A 1 105 ? 5.37590   -27.46337 0.45407   1.000 7.21347  ? 105 MET A SD  1 
ATOM   828  C CE  . MET A 1 105 ? 3.95728   -26.52931 -0.11855  1.000 6.31503  ? 105 MET A CE  1 
ATOM   829  N N   . ASN A 1 106 ? 1.72532   -30.64391 4.57884   1.000 6.49334  ? 106 ASN A N   1 
ATOM   830  C CA  . ASN A 1 106 ? 0.39698   -31.23394 4.72261   1.000 5.68177  ? 106 ASN A CA  1 
ATOM   831  C C   . ASN A 1 106 ? -0.59190  -30.25204 5.33256   1.000 9.33096  ? 106 ASN A C   1 
ATOM   832  O O   . ASN A 1 106 ? -1.80654  -30.48537 5.26813   1.000 8.48259  ? 106 ASN A O   1 
ATOM   833  C CB  . ASN A 1 106 ? 0.46588   -32.49583 5.57951   1.000 8.02401  ? 106 ASN A CB  1 
ATOM   834  C CG  . ASN A 1 106 ? 1.31656   -33.56790 4.95560   1.000 8.26309  ? 106 ASN A CG  1 
ATOM   835  O OD1 . ASN A 1 106 ? 0.94456   -34.21454 3.95079   1.000 9.70458  ? 106 ASN A OD1 1 
ATOM   836  N ND2 . ASN A 1 106 ? 2.46576   -33.79027 5.56254   1.000 10.24474 ? 106 ASN A ND2 1 
ATOM   837  N N   . ALA A 1 107 ? -0.09346  -29.14809 5.88505   1.000 8.26783  ? 107 ALA A N   1 
ATOM   838  C CA  . ALA A 1 107 ? -0.96120  -28.05749 6.32038   1.000 8.10107  ? 107 ALA A CA  1 
ATOM   839  C C   . ALA A 1 107 ? -1.83365  -27.53013 5.18962   1.000 9.89444  ? 107 ALA A C   1 
ATOM   840  O O   . ALA A 1 107 ? -2.92035  -27.01007 5.45325   1.000 11.59373 ? 107 ALA A O   1 
ATOM   841  C CB  . ALA A 1 107 ? -0.12370  -26.92472 6.91128   1.000 9.65110  ? 107 ALA A CB  1 
ATOM   842  N N   . TRP A 1 108 ? -1.37107  -27.62674 3.94130   1.000 8.26858  ? 108 TRP A N   1 
ATOM   843  C CA  . TRP A 1 108 ? -2.18265  -27.31261 2.76236   1.000 5.01726  ? 108 TRP A CA  1 
ATOM   844  C C   . TRP A 1 108 ? -2.79867  -28.59985 2.24094   1.000 8.40479  ? 108 TRP A C   1 
ATOM   845  O O   . TRP A 1 108 ? -2.09491  -29.45359 1.70149   1.000 8.02594  ? 108 TRP A O   1 
ATOM   846  C CB  . TRP A 1 108 ? -1.33092  -26.65128 1.68595   1.000 6.82272  ? 108 TRP A CB  1 
ATOM   847  C CG  . TRP A 1 108 ? -0.94939  -25.25637 2.05214   1.000 5.19477  ? 108 TRP A CG  1 
ATOM   848  C CD1 . TRP A 1 108 ? -1.66277  -24.12544 1.80402   1.000 10.16689 ? 108 TRP A CD1 1 
ATOM   849  C CD2 . TRP A 1 108 ? 0.21685   -24.84609 2.77731   1.000 6.07729  ? 108 TRP A CD2 1 
ATOM   850  N NE1 . TRP A 1 108 ? -1.00027  -23.03080 2.31016   1.000 7.58975  ? 108 TRP A NE1 1 
ATOM   851  C CE2 . TRP A 1 108 ? 0.15905   -23.45280 2.90852   1.000 6.23289  ? 108 TRP A CE2 1 
ATOM   852  C CE3 . TRP A 1 108 ? 1.31246   -25.53107 3.31745   1.000 6.34009  ? 108 TRP A CE3 1 
ATOM   853  C CZ2 . TRP A 1 108 ? 1.13844   -22.72746 3.57478   1.000 7.93792  ? 108 TRP A CZ2 1 
ATOM   854  C CZ3 . TRP A 1 108 ? 2.29297   -24.81605 3.95698   1.000 8.80807  ? 108 TRP A CZ3 1 
ATOM   855  C CH2 . TRP A 1 108 ? 2.20773   -23.42167 4.07668   1.000 6.67256  ? 108 TRP A CH2 1 
ATOM   856  N N   . VAL A 1 109 ? -4.10811  -28.76309 2.42583   1.000 10.59466 ? 109 VAL A N   1 
ATOM   857  C CA  . VAL A 1 109 ? -4.68849  -30.04894 2.05749   1.000 13.10296 ? 109 VAL A CA  1 
ATOM   858  C C   . VAL A 1 109 ? -4.56872  -30.26170 0.55371   1.000 13.04763 ? 109 VAL A C   1 
ATOM   859  O O   . VAL A 1 109 ? -4.35531  -31.39341 0.10935   1.000 10.13486 ? 109 VAL A O   1 
ATOM   860  C CB  . VAL A 1 109 ? -6.14172  -30.17216 2.57007   1.000 19.50405 ? 109 VAL A CB  1 
ATOM   861  C CG1 . VAL A 1 109 ? -7.06569  -29.24522 1.84723   1.000 21.66272 ? 109 VAL A CG1 1 
ATOM   862  C CG2 . VAL A 1 109 ? -6.64566  -31.59364 2.40326   1.000 24.27030 ? 109 VAL A CG2 1 
ATOM   863  N N   . ALA A 1 110 ? -4.61487  -29.18741 -0.24335  1.000 12.42238 ? 110 ALA A N   1 
ATOM   864  C CA  . ALA A 1 110 ? -4.43247  -29.35893 -1.68379  1.000 13.63012 ? 110 ALA A CA  1 
ATOM   865  C C   . ALA A 1 110 ? -3.01707  -29.80503 -2.02659  1.000 9.20823  ? 110 ALA A C   1 
ATOM   866  O O   . ALA A 1 110 ? -2.82487  -30.54567 -2.99094  1.000 11.91978 ? 110 ALA A O   1 
ATOM   867  C CB  . ALA A 1 110 ? -4.77942  -28.07759 -2.43718  1.000 13.80633 ? 110 ALA A CB  1 
ATOM   868  N N   . TRP A 1 111 ? -2.00608  -29.36720 -1.27787  1.000 9.22448  ? 111 TRP A N   1 
ATOM   869  C CA  . TRP A 1 111 ? -0.68436  -29.93835 -1.50583  1.000 6.77669  ? 111 TRP A CA  1 
ATOM   870  C C   . TRP A 1 111 ? -0.68710  -31.43734 -1.20905  1.000 7.64150  ? 111 TRP A C   1 
ATOM   871  O O   . TRP A 1 111 ? -0.23557  -32.25196 -2.02931  1.000 8.49922  ? 111 TRP A O   1 
ATOM   872  C CB  . TRP A 1 111 ? 0.37661   -29.21250 -0.66293  1.000 8.35703  ? 111 TRP A CB  1 
ATOM   873  C CG  . TRP A 1 111 ? 1.75228   -29.81418 -0.87044  1.000 7.23756  ? 111 TRP A CG  1 
ATOM   874  C CD1 . TRP A 1 111 ? 2.64760   -29.51994 -1.86598  1.000 6.96370  ? 111 TRP A CD1 1 
ATOM   875  C CD2 . TRP A 1 111 ? 2.34495   -30.85214 -0.09036  1.000 5.86435  ? 111 TRP A CD2 1 
ATOM   876  N NE1 . TRP A 1 111 ? 3.77255   -30.30967 -1.73538  1.000 8.12565  ? 111 TRP A NE1 1 
ATOM   877  C CE2 . TRP A 1 111 ? 3.60311   -31.13814 -0.65672  1.000 7.28231  ? 111 TRP A CE2 1 
ATOM   878  C CE3 . TRP A 1 111 ? 1.93047   -31.57114 1.03449   1.000 7.20254  ? 111 TRP A CE3 1 
ATOM   879  C CZ2 . TRP A 1 111 ? 4.45244   -32.11189 -0.11782  1.000 7.18098  ? 111 TRP A CZ2 1 
ATOM   880  C CZ3 . TRP A 1 111 ? 2.77320   -32.52972 1.57127   1.000 7.77585  ? 111 TRP A CZ3 1 
ATOM   881  C CH2 . TRP A 1 111 ? 4.01620   -32.79057 0.99263   1.000 10.87570 ? 111 TRP A CH2 1 
ATOM   882  N N   . ARG A 1 112 ? -1.21472  -31.83051 -0.04178  1.000 9.05400  ? 112 ARG A N   1 
ATOM   883  C CA  . ARG A 1 112 ? -1.20996  -33.24551 0.32100   1.000 7.38208  ? 112 ARG A CA  1 
ATOM   884  C C   . ARG A 1 112 ? -1.94836  -34.07521 -0.72211  1.000 6.51294  ? 112 ARG A C   1 
ATOM   885  O O   . ARG A 1 112 ? -1.50139  -35.16493 -1.09797  1.000 9.98312  ? 112 ARG A O   1 
ATOM   886  C CB  . ARG A 1 112 ? -1.84017  -33.45747 1.70487   1.000 12.97183 ? 112 ARG A CB  1 
ATOM   887  C CG  . ARG A 1 112 ? -1.79809  -34.92854 2.13647   1.000 16.05355 ? 112 ARG A CG  1 
ATOM   888  C CD  . ARG A 1 112 ? -2.27272  -35.13801 3.56911   1.000 20.50801 ? 112 ARG A CD  1 
ATOM   889  N NE  . ARG A 1 112 ? -3.52074  -34.43947 3.83988   1.000 30.72054 ? 112 ARG A NE  1 
ATOM   890  C CZ  . ARG A 1 112 ? -4.72000  -34.98017 3.67200   1.000 38.55258 ? 112 ARG A CZ  1 
ATOM   891  N NH1 . ARG A 1 112 ? -4.86252  -36.22284 3.23065   1.000 28.80118 ? 112 ARG A NH1 1 
ATOM   892  N NH2 . ARG A 1 112 ? -5.80235  -34.25846 3.95226   1.000 30.18947 ? 112 ARG A NH2 1 
ATOM   893  N N   . ASN A 1 113 ? -3.04548  -33.54909 -1.24814  1.000 10.19625 ? 113 ASN A N   1 
ATOM   894  C CA  . ASN A 1 113 ? -3.89341  -34.37536 -2.09855  1.000 10.98063 ? 113 ASN A CA  1 
ATOM   895  C C   . ASN A 1 113 ? -3.52391  -34.31005 -3.57368  1.000 10.61535 ? 113 ASN A C   1 
ATOM   896  O O   . ASN A 1 113 ? -3.89727  -35.21544 -4.32747  1.000 13.52072 ? 113 ASN A O   1 
ATOM   897  C CB  . ASN A 1 113 ? -5.36048  -33.97611 -1.90926  1.000 10.73304 ? 113 ASN A CB  1 
ATOM   898  C CG  . ASN A 1 113 ? -5.92003  -34.48615 -0.59091  1.000 9.78728  ? 113 ASN A CG  1 
ATOM   899  O OD1 . ASN A 1 113 ? -5.50147  -35.53492 -0.09570  1.000 12.82760 ? 113 ASN A OD1 1 
ATOM   900  N ND2 . ASN A 1 113 ? -6.86088  -33.75058 -0.02333  1.000 11.57417 ? 113 ASN A ND2 1 
ATOM   901  N N   . ARG A 1 114 ? -2.81210  -33.26719 -4.01291  1.000 9.61690  ? 114 ARG A N   1 
ATOM   902  C CA  . ARG A 1 114 ? -2.57335  -33.06161 -5.44075  1.000 9.25534  ? 114 ARG A CA  1 
ATOM   903  C C   . ARG A 1 114 ? -1.12953  -32.82354 -5.81525  1.000 11.03608 ? 114 ARG A C   1 
ATOM   904  O O   . ARG A 1 114 ? -0.80947  -32.88064 -7.01246  1.000 11.81856 ? 114 ARG A O   1 
ATOM   905  C CB  . ARG A 1 114 ? -3.40633  -31.88063 -5.93962  1.000 8.33634  ? 114 ARG A CB  1 
ATOM   906  C CG  . ARG A 1 114 ? -4.84809  -32.07349 -5.54366  1.000 9.21621  ? 114 ARG A CG  1 
ATOM   907  C CD  . ARG A 1 114 ? -5.70906  -30.96183 -5.97751  1.000 10.06448 ? 114 ARG A CD  1 
ATOM   908  N NE  . ARG A 1 114 ? -5.96105  -30.97134 -7.41479  1.000 8.71036  ? 114 ARG A NE  1 
ATOM   909  C CZ  . ARG A 1 114 ? -6.79211  -30.11792 -7.99586  1.000 11.32387 ? 114 ARG A CZ  1 
ATOM   910  N NH1 . ARG A 1 114 ? -7.45887  -29.22780 -7.28500  1.000 10.25342 ? 114 ARG A NH1 1 
ATOM   911  N NH2 . ARG A 1 114 ? -6.97224  -30.17525 -9.31329  1.000 10.11083 ? 114 ARG A NH2 1 
ATOM   912  N N   . CYS A 1 115 ? -0.25460  -32.55616 -4.85815  1.000 6.61929  ? 115 CYS A N   1 
ATOM   913  C CA  . CYS A 1 115 ? 1.14728   -32.32270 -5.17850  1.000 7.59873  ? 115 CYS A CA  1 
ATOM   914  C C   . CYS A 1 115 ? 2.05944   -33.36540 -4.57946  1.000 6.30371  ? 115 CYS A C   1 
ATOM   915  O O   . CYS A 1 115 ? 3.02696   -33.80055 -5.22284  1.000 9.46222  ? 115 CYS A O   1 
ATOM   916  C CB  . CYS A 1 115 ? 1.58204   -30.95392 -4.65240  1.000 7.33891  ? 115 CYS A CB  1 
ATOM   917  S SG  . CYS A 1 115 ? 0.70585   -29.58814 -5.41228  1.000 7.98749  ? 115 CYS A SG  1 
ATOM   918  N N   . LYS A 1 116 ? 1.77534   -33.75503 -3.33504  1.000 7.96161  ? 116 LYS A N   1 
ATOM   919  C CA  . LYS A 1 116 ? 2.62773   -34.66635 -2.59340  1.000 6.18351  ? 116 LYS A CA  1 
ATOM   920  C C   . LYS A 1 116 ? 2.87210   -35.93798 -3.38338  1.000 11.56399 ? 116 LYS A C   1 
ATOM   921  O O   . LYS A 1 116 ? 1.92728   -36.57392 -3.86228  1.000 10.99703 ? 116 LYS A O   1 
ATOM   922  C CB  . LYS A 1 116 ? 1.96824   -34.98748 -1.25756  1.000 10.78621 ? 116 LYS A CB  1 
ATOM   923  C CG  . LYS A 1 116 ? 2.75716   -35.91134 -0.35093  1.000 8.00532  ? 116 LYS A CG  1 
ATOM   924  C CD  . LYS A 1 116 ? 2.03357   -36.03010 0.98024   1.000 9.86319  ? 116 LYS A CD  1 
ATOM   925  C CE  . LYS A 1 116 ? 2.74619   -36.95573 1.96246   1.000 11.28722 ? 116 LYS A CE  1 
ATOM   926  N NZ  . LYS A 1 116 ? 1.99105   -36.95112 3.25746   1.000 11.41282 ? 116 LYS A NZ  1 
ATOM   927  N N   . GLY A 1 117 ? 4.15168   -36.27996 -3.54312  1.000 12.99107 ? 117 GLY A N   1 
ATOM   928  C CA  . GLY A 1 117 ? 4.53658   -37.51583 -4.18485  1.000 12.21250 ? 117 GLY A CA  1 
ATOM   929  C C   . GLY A 1 117 ? 4.58968   -37.46792 -5.69095  1.000 17.20599 ? 117 GLY A C   1 
ATOM   930  O O   . GLY A 1 117 ? 4.97131   -38.47003 -6.31009  1.000 21.38275 ? 117 GLY A O   1 
ATOM   931  N N   . THR A 1 118 ? 4.22124   -36.34794 -6.29823  1.000 12.17716 ? 118 THR A N   1 
ATOM   932  C CA  . THR A 1 118 ? 4.33250   -36.15751 -7.73557  1.000 11.89086 ? 118 THR A CA  1 
ATOM   933  C C   . THR A 1 118 ? 5.69082   -35.56423 -8.09687  1.000 12.60121 ? 118 THR A C   1 
ATOM   934  O O   . THR A 1 118 ? 6.50804   -35.22154 -7.23777  1.000 12.78662 ? 118 THR A O   1 
ATOM   935  C CB  . THR A 1 118 ? 3.21355   -35.24129 -8.25053  1.000 12.16266 ? 118 THR A CB  1 
ATOM   936  O OG1 . THR A 1 118 ? 3.41972   -33.89048 -7.79733  1.000 11.77893 ? 118 THR A OG1 1 
ATOM   937  C CG2 . THR A 1 118 ? 1.85040   -35.72752 -7.76767  1.000 15.20940 ? 118 THR A CG2 1 
ATOM   938  N N   . ASP A 1 119 ? 5.92711   -35.45769 -9.40293  1.000 14.17649 ? 119 ASP A N   1 
ATOM   939  C CA  . ASP A 1 119 ? 7.14083   -34.85518 -9.94875  1.000 15.39320 ? 119 ASP A CA  1 
ATOM   940  C C   . ASP A 1 119 ? 6.99866   -33.33032 -9.89882  1.000 14.07975 ? 119 ASP A C   1 
ATOM   941  O O   . ASP A 1 119 ? 6.80135   -32.65152 -10.90632 1.000 14.12718 ? 119 ASP A O   1 
ATOM   942  C CB  . ASP A 1 119 ? 7.35439   -35.36497 -11.36671 1.000 16.07251 ? 119 ASP A CB  1 
ATOM   943  C CG  . ASP A 1 119 ? 8.58190   -34.79285 -12.02303 1.000 24.77756 ? 119 ASP A CG  1 
ATOM   944  O OD1 . ASP A 1 119 ? 9.56362   -34.51002 -11.30893 1.000 26.14677 ? 119 ASP A OD1 1 
ATOM   945  O OD2 . ASP A 1 119 ? 8.55437   -34.62702 -13.26525 1.000 22.70264 ? 119 ASP A OD2 1 
ATOM   946  N N   . VAL A 1 120 ? 7.06955   -32.79004 -8.67835  1.000 12.50274 ? 120 VAL A N   1 
ATOM   947  C CA  . VAL A 1 120 ? 6.80740   -31.36183 -8.49207  1.000 9.56513  ? 120 VAL A CA  1 
ATOM   948  C C   . VAL A 1 120 ? 7.84939   -30.49277 -9.17620  1.000 12.06035 ? 120 VAL A C   1 
ATOM   949  O O   . VAL A 1 120 ? 7.59293   -29.31359 -9.43791  1.000 10.88479 ? 120 VAL A O   1 
ATOM   950  C CB  . VAL A 1 120 ? 6.71024   -30.99336 -6.98660  1.000 8.99408  ? 120 VAL A CB  1 
ATOM   951  C CG1 . VAL A 1 120 ? 5.49451   -31.64772 -6.35407  1.000 10.92273 ? 120 VAL A CG1 1 
ATOM   952  C CG2 . VAL A 1 120 ? 7.98947   -31.34070 -6.25071  1.000 11.15665 ? 120 VAL A CG2 1 
ATOM   953  N N   . GLN A 1 121 ? 9.03374   -31.03400 -9.46131  1.000 11.94890 ? 121 GLN A N   1 
ATOM   954  C CA  . GLN A 1 121 ? 10.03591  -30.23927 -10.15327 1.000 10.52633 ? 121 GLN A CA  1 
ATOM   955  C C   . GLN A 1 121 ? 9.56544   -29.81338 -11.53993 1.000 11.60491 ? 121 GLN A C   1 
ATOM   956  O O   . GLN A 1 121 ? 10.00081  -28.76624 -12.03250 1.000 13.95483 ? 121 GLN A O   1 
ATOM   957  C CB  . GLN A 1 121 ? 11.34658  -31.01901 -10.23115 1.000 14.72963 ? 121 GLN A CB  1 
ATOM   958  C CG  . GLN A 1 121 ? 12.52587  -30.18277 -10.66873 1.000 20.20294 ? 121 GLN A CG  1 
ATOM   959  C CD  . GLN A 1 121 ? 13.81012  -30.98179 -10.65628 1.000 49.50083 ? 121 GLN A CD  1 
ATOM   960  O OE1 . GLN A 1 121 ? 14.76814  -30.64925 -9.95631  1.000 56.57955 ? 121 GLN A OE1 1 
ATOM   961  N NE2 . GLN A 1 121 ? 13.81987  -32.07111 -11.41418 1.000 33.99274 ? 121 GLN A NE2 1 
ATOM   962  N N   . ALA A 1 122 ? 8.63700   -30.55357 -12.14975 1.000 10.67872 ? 122 ALA A N   1 
ATOM   963  C CA  . ALA A 1 122 ? 8.04401   -30.10149 -13.40667 1.000 11.23401 ? 122 ALA A CA  1 
ATOM   964  C C   . ALA A 1 122 ? 7.47810   -28.69217 -13.30683 1.000 17.29465 ? 122 ALA A C   1 
ATOM   965  O O   . ALA A 1 122 ? 7.36018   -28.00141 -14.32408 1.000 14.13989 ? 122 ALA A O   1 
ATOM   966  C CB  . ALA A 1 122 ? 6.94407   -31.06872 -13.84039 1.000 14.14569 ? 122 ALA A CB  1 
ATOM   967  N N   . TRP A 1 123 ? 7.13642   -28.23052 -12.10289 1.000 12.99973 ? 123 TRP A N   1 
ATOM   968  C CA  . TRP A 1 123 ? 6.57528   -26.89177 -11.98036 1.000 11.96348 ? 123 TRP A CA  1 
ATOM   969  C C   . TRP A 1 123 ? 7.59884   -25.77961 -12.16761 1.000 13.24794 ? 123 TRP A C   1 
ATOM   970  O O   . TRP A 1 123 ? 7.20266   -24.64543 -12.46400 1.000 12.81428 ? 123 TRP A O   1 
ATOM   971  C CB  . TRP A 1 123 ? 5.87003   -26.74662 -10.62542 1.000 10.30461 ? 123 TRP A CB  1 
ATOM   972  C CG  . TRP A 1 123 ? 4.57854   -27.47947 -10.62009 1.000 8.89166  ? 123 TRP A CG  1 
ATOM   973  C CD1 . TRP A 1 123 ? 4.31603   -28.69720 -10.07671 1.000 8.53897  ? 123 TRP A CD1 1 
ATOM   974  C CD2 . TRP A 1 123 ? 3.36405   -27.04447 -11.23899 1.000 10.10841 ? 123 TRP A CD2 1 
ATOM   975  N NE1 . TRP A 1 123 ? 3.00163   -29.04871 -10.31570 1.000 10.29180 ? 123 TRP A NE1 1 
ATOM   976  C CE2 . TRP A 1 123 ? 2.40306   -28.04659 -11.03347 1.000 12.11786 ? 123 TRP A CE2 1 
ATOM   977  C CE3 . TRP A 1 123 ? 3.00531   -25.90285 -11.96835 1.000 13.15843 ? 123 TRP A CE3 1 
ATOM   978  C CZ2 . TRP A 1 123 ? 1.09114   -27.92650 -11.50111 1.000 13.49003 ? 123 TRP A CZ2 1 
ATOM   979  C CZ3 . TRP A 1 123 ? 1.71668   -25.79024 -12.43713 1.000 14.14458 ? 123 TRP A CZ3 1 
ATOM   980  C CH2 . TRP A 1 123 ? 0.77582   -26.80130 -12.21167 1.000 13.88179 ? 123 TRP A CH2 1 
ATOM   981  N N   . ILE A 1 124 ? 8.89534   -26.04415 -12.01934 1.000 13.65025 ? 124 ILE A N   1 
ATOM   982  C CA  A ILE A 1 124 ? 9.90141   -25.00260 -12.20299 0.751 14.68841 ? 124 ILE A CA  1 
ATOM   983  C CA  B ILE A 1 124 ? 9.90760   -25.00680 -12.19712 0.249 14.83307 ? 124 ILE A CA  1 
ATOM   984  C C   . ILE A 1 124 ? 10.79551  -25.23503 -13.41075 1.000 17.08071 ? 124 ILE A C   1 
ATOM   985  O O   . ILE A 1 124 ? 11.59652  -24.34557 -13.74371 1.000 15.43140 ? 124 ILE A O   1 
ATOM   986  C CB  A ILE A 1 124 ? 10.77445  -24.81741 -10.94450 0.751 16.89864 ? 124 ILE A CB  1 
ATOM   987  C CB  B ILE A 1 124 ? 10.78503  -24.84396 -10.93853 0.249 16.83570 ? 124 ILE A CB  1 
ATOM   988  C CG1 A ILE A 1 124 ? 11.51285  -26.10997 -10.60301 0.751 17.34780 ? 124 ILE A CG1 1 
ATOM   989  C CG1 B ILE A 1 124 ? 11.59423  -26.11397 -10.68132 0.249 17.44569 ? 124 ILE A CG1 1 
ATOM   990  C CG2 A ILE A 1 124 ? 9.92093   -24.33343 -9.77148  0.751 16.81109 ? 124 ILE A CG2 1 
ATOM   991  C CG2 B ILE A 1 124 ? 9.92568   -24.49086 -9.73138  0.249 16.58249 ? 124 ILE A CG2 1 
ATOM   992  C CD1 A ILE A 1 124 ? 12.64297  -25.91387 -9.61295  0.751 24.12168 ? 124 ILE A CD1 1 
ATOM   993  C CD1 B ILE A 1 124 ? 12.64626  -25.94871 -9.60978  0.249 23.81225 ? 124 ILE A CD1 1 
ATOM   994  N N   . ARG A 1 125 ? 10.69587  -26.37891 -14.07583 0.885 16.78728 ? 125 ARG A N   1 
ATOM   995  C CA  . ARG A 1 125 ? 11.54629  -26.61776 -15.23398 0.885 16.71704 ? 125 ARG A CA  1 
ATOM   996  C C   . ARG A 1 125 ? 11.20036  -25.64868 -16.35431 0.885 19.47199 ? 125 ARG A C   1 
ATOM   997  O O   . ARG A 1 125 ? 10.03667  -25.30822 -16.56689 0.885 17.64777 ? 125 ARG A O   1 
ATOM   998  C CB  . ARG A 1 125 ? 11.41942  -28.06918 -15.67762 0.885 20.84969 ? 125 ARG A CB  1 
ATOM   999  C CG  . ARG A 1 125 ? 11.56141  -28.98179 -14.47969 0.885 24.26809 ? 125 ARG A CG  1 
ATOM   1000 C CD  . ARG A 1 125 ? 12.29354  -30.24848 -14.77608 0.885 31.23588 ? 125 ARG A CD  1 
ATOM   1001 N NE  . ARG A 1 125 ? 11.43862  -31.07303 -15.61005 0.885 24.99093 ? 125 ARG A NE  1 
ATOM   1002 C CZ  . ARG A 1 125 ? 10.85446  -32.18243 -15.18815 0.885 21.82272 ? 125 ARG A CZ  1 
ATOM   1003 N NH1 . ARG A 1 125 ? 11.03253  -32.62836 -13.95446 0.885 29.13482 ? 125 ARG A NH1 1 
ATOM   1004 N NH2 . ARG A 1 125 ? 10.06197  -32.85420 -16.01876 0.885 36.62829 ? 125 ARG A NH2 1 
ATOM   1005 N N   . GLY A 1 126 ? 12.23237  -25.15913 -17.03647 1.000 19.62847 ? 126 GLY A N   1 
ATOM   1006 C CA  . GLY A 1 126 ? 12.05707  -24.13508 -18.04074 1.000 20.78307 ? 126 GLY A CA  1 
ATOM   1007 C C   . GLY A 1 126 ? 11.91166  -22.72518 -17.50931 1.000 21.33583 ? 126 GLY A C   1 
ATOM   1008 O O   . GLY A 1 126 ? 11.70688  -21.80028 -18.30776 1.000 27.99665 ? 126 GLY A O   1 
ATOM   1009 N N   . CYS A 1 127 ? 12.00458  -22.53150 -16.19464 1.000 15.63927 ? 127 CYS A N   1 
ATOM   1010 C CA  . CYS A 1 127 ? 11.94669  -21.21864 -15.56769 1.000 22.79248 ? 127 CYS A CA  1 
ATOM   1011 C C   . CYS A 1 127 ? 13.35104  -20.71698 -15.27943 1.000 16.64795 ? 127 CYS A C   1 
ATOM   1012 O O   . CYS A 1 127 ? 14.19627  -21.46088 -14.77761 1.000 18.80206 ? 127 CYS A O   1 
ATOM   1013 C CB  . CYS A 1 127 ? 11.17165  -21.26073 -14.24818 1.000 17.39594 ? 127 CYS A CB  1 
ATOM   1014 S SG  . CYS A 1 127 ? 9.46866   -21.82200 -14.36152 1.000 14.26994 ? 127 CYS A SG  1 
ATOM   1015 N N   . ARG A 1 128 ? 13.58505  -19.44157 -15.55318 1.000 17.95978 ? 128 ARG A N   1 
ATOM   1016 C CA  . ARG A 1 128 ? 14.85399  -18.82045 -15.19600 1.000 24.45034 ? 128 ARG A CA  1 
ATOM   1017 C C   . ARG A 1 128 ? 14.85162  -18.53707 -13.69682 1.000 35.05936 ? 128 ARG A C   1 
ATOM   1018 O O   . ARG A 1 128 ? 14.15789  -17.62691 -13.23279 1.000 42.56178 ? 128 ARG A O   1 
ATOM   1019 C CB  . ARG A 1 128 ? 15.06315  -17.54949 -16.01263 1.000 33.26735 ? 128 ARG A CB  1 
ATOM   1020 C CG  . ARG A 1 128 ? 16.51743  -17.19149 -16.22110 1.000 34.78517 ? 128 ARG A CG  1 
ATOM   1021 C CD  . ARG A 1 128 ? 16.66705  -16.24202 -17.38518 1.000 43.27936 ? 128 ARG A CD  1 
ATOM   1022 N NE  . ARG A 1 128 ? 16.83165  -16.92409 -18.66444 1.000 55.19021 ? 128 ARG A NE  1 
ATOM   1023 C CZ  . ARG A 1 128 ? 17.97172  -17.45199 -19.09062 1.000 48.04858 ? 128 ARG A CZ  1 
ATOM   1024 N NH1 . ARG A 1 128 ? 19.06976  -17.41490 -18.35270 1.000 39.59623 ? 128 ARG A NH1 1 
ATOM   1025 N NH2 . ARG A 1 128 ? 18.01024  -18.03317 -20.28619 1.000 49.90315 ? 128 ARG A NH2 1 
ATOM   1026 N N   . LEU A 1 129 ? 15.60270  -19.33197 -12.93664 1.000 33.71890 ? 129 LEU A N   1 
ATOM   1027 C CA  . LEU A 1 129 ? 15.66537  -19.19492 -11.47635 1.000 45.88465 ? 129 LEU A CA  1 
ATOM   1028 C C   . LEU A 1 129 ? 17.08490  -19.31715 -10.94028 1.000 57.17866 ? 129 LEU A C   1 
ATOM   1029 O O   . LEU A 1 129 ? 17.91398  -20.06215 -11.46733 1.000 58.66777 ? 129 LEU A O   1 
ATOM   1030 C CB  . LEU A 1 129 ? 14.79962  -20.24681 -10.78476 1.000 37.30009 ? 129 LEU A CB  1 
ATOM   1031 C CG  . LEU A 1 129 ? 13.38799  -20.49953 -11.29130 1.000 30.84919 ? 129 LEU A CG  1 
ATOM   1032 C CD1 . LEU A 1 129 ? 12.86864  -21.77252 -10.68150 1.000 32.97439 ? 129 LEU A CD1 1 
ATOM   1033 C CD2 . LEU A 1 129 ? 12.49820  -19.32898 -10.93462 1.000 35.04623 ? 129 LEU A CD2 1 
ATOM   1034 O OXT . LEU A 1 129 ? 17.44128  -18.67298 -9.95183  1.000 54.00865 ? 129 LEU A OXT 1 
HETATM 1035 C CAA . 34G B 2 .   ? 5.16850   -25.96892 -18.98666 1.000 21.26816 ? 201 34G A CAA 1 
HETATM 1036 C CAJ . 34G B 2 .   ? 3.87048   -26.74896 -18.92584 1.000 32.38712 ? 201 34G A CAJ 1 
HETATM 1037 C CBE . 34G B 2 .   ? 3.06593   -26.42908 -17.67998 1.000 19.67461 ? 201 34G A CBE 1 
HETATM 1038 C CAQ . 34G B 2 .   ? 3.79156   -26.95369 -16.42520 1.000 18.18912 ? 201 34G A CAQ 1 
HETATM 1039 N NBI . 34G B 2 .   ? 3.24509   -28.23216 -15.87698 1.000 16.21344 ? 201 34G A NBI 1 
HETATM 1040 C CAN . 34G B 2 .   ? 3.77082   -28.53037 -14.52719 1.000 14.66394 ? 201 34G A CAN 1 
HETATM 1041 C CAM . 34G B 2 .   ? 3.35504   -29.95370 -14.15758 1.000 18.78044 ? 201 34G A CAM 1 
HETATM 1042 C CAX . 34G B 2 .   ? 1.84818   -30.00340 -14.06856 1.000 15.25984 ? 201 34G A CAX 1 
HETATM 1043 C CAG . 34G B 2 .   ? 1.21483   -30.84485 -13.15676 1.000 16.44029 ? 201 34G A CAG 1 
HETATM 1044 C CAZ . 34G B 2 .   ? -0.17654  -30.85882 -13.08317 1.000 19.71405 ? 201 34G A CAZ 1 
HETATM 1045 O OAT . 34G B 2 .   ? -0.84414  -31.66004 -12.19213 1.000 19.35748 ? 201 34G A OAT 1 
HETATM 1046 C CAC . 34G B 2 .   ? -0.13187  -32.34924 -11.16094 1.000 21.71157 ? 201 34G A CAC 1 
HETATM 1047 C CBB . 34G B 2 .   ? -0.92638  -30.05079 -13.90793 1.000 12.74198 ? 201 34G A CBB 1 
HETATM 1048 O OAV . 34G B 2 .   ? -2.29129  -30.09455 -13.80219 1.000 17.97589 ? 201 34G A OAV 1 
HETATM 1049 C CAE . 34G B 2 .   ? -3.08894  -29.04903 -14.35769 1.000 20.75516 ? 201 34G A CAE 1 
HETATM 1050 C CAI . 34G B 2 .   ? -0.29933  -29.20675 -14.81590 1.000 16.64132 ? 201 34G A CAI 1 
HETATM 1051 C CBD . 34G B 2 .   ? 1.09026   -29.16891 -14.87344 1.000 15.42104 ? 201 34G A CBD 1 
HETATM 1052 C CBH . 34G B 2 .   ? 1.74992   -28.32640 -15.91037 1.000 26.04106 ? 201 34G A CBH 1 
HETATM 1053 C CAP . 34G B 2 .   ? 1.04864   -27.04570 -16.33280 1.000 28.26011 ? 201 34G A CAP 1 
HETATM 1054 C CBF . 34G B 2 .   ? 1.66735   -27.03857 -17.72124 1.000 20.79771 ? 201 34G A CBF 1 
HETATM 1055 C CAO . 34G B 2 .   ? 0.72057   -26.75615 -18.90298 1.000 28.18021 ? 201 34G A CAO 1 
HETATM 1056 C CBG . 34G B 2 .   ? -0.02836  -25.45000 -19.17023 1.000 25.02213 ? 201 34G A CBG 1 
HETATM 1057 N NAR . 34G B 2 .   ? -0.70074  -24.75279 -18.07044 1.000 30.85916 ? 201 34G A NAR 1 
HETATM 1058 C CAK . 34G B 2 .   ? -1.14860  -23.41611 -18.54370 1.000 18.64297 ? 201 34G A CAK 1 
HETATM 1059 C CAL . 34G B 2 .   ? -1.73367  -23.34360 -19.96755 1.000 14.58315 ? 201 34G A CAL 1 
HETATM 1060 C CAW . 34G B 2 .   ? -1.85612  -24.70197 -20.62939 1.000 18.90620 ? 201 34G A CAW 1 
HETATM 1061 C CAF . 34G B 2 .   ? -2.78687  -24.92544 -21.64338 1.000 13.26130 ? 201 34G A CAF 1 
HETATM 1062 C CBC . 34G B 2 .   ? -1.03795  -25.73311 -20.22318 1.000 16.25674 ? 201 34G A CBC 1 
HETATM 1063 C CAH . 34G B 2 .   ? -1.13838  -26.98522 -20.82782 1.000 12.53855 ? 201 34G A CAH 1 
HETATM 1064 C CBA . 34G B 2 .   ? -2.07025  -27.20431 -21.83643 1.000 13.80976 ? 201 34G A CBA 1 
HETATM 1065 O OAU . 34G B 2 .   ? -2.20508  -28.42324 -22.44875 1.000 16.35753 ? 201 34G A OAU 1 
HETATM 1066 C CAD . 34G B 2 .   ? -1.39792  -29.52841 -22.03541 1.000 20.67517 ? 201 34G A CAD 1 
HETATM 1067 C CAY . 34G B 2 .   ? -2.89541  -26.17403 -22.24302 1.000 20.35633 ? 201 34G A CAY 1 
HETATM 1068 O OAS . 34G B 2 .   ? -3.80615  -26.41505 -23.24284 1.000 18.24220 ? 201 34G A OAS 1 
HETATM 1069 C CAB . 34G B 2 .   ? -4.63047  -25.36150 -23.73478 1.000 22.56334 ? 201 34G A CAB 1 
HETATM 1070 O O   . HOH C 3 .   ? -8.15281  -14.75175 12.78886  1.000 7.75322  ? 301 HOH A O   1 
HETATM 1071 O O   . HOH C 3 .   ? -5.84728  -26.87213 0.82869   1.000 17.09076 ? 302 HOH A O   1 
HETATM 1072 O O   . HOH C 3 .   ? -3.19982  -8.87637  -5.75229  1.000 22.03357 ? 303 HOH A O   1 
HETATM 1073 O O   . HOH C 3 .   ? 14.86222  -16.12948 -11.45058 1.000 39.54330 ? 304 HOH A O   1 
HETATM 1074 O O   . HOH C 3 .   ? 3.95083   -12.93048 14.03696  1.000 27.01145 ? 305 HOH A O   1 
HETATM 1075 O O   . HOH C 3 .   ? -1.42695  -13.95007 -2.07597  1.000 21.76587 ? 306 HOH A O   1 
HETATM 1076 O O   . HOH C 3 .   ? 7.10198   -5.60620  0.01792   1.000 35.94964 ? 307 HOH A O   1 
HETATM 1077 O O   . HOH C 3 .   ? -9.38776  -16.78671 19.35409  1.000 32.20701 ? 308 HOH A O   1 
HETATM 1078 O O   . HOH C 3 .   ? 16.59279  -26.24178 3.73125   1.000 23.14617 ? 309 HOH A O   1 
HETATM 1079 O O   . HOH C 3 .   ? 10.58210  -35.07741 -14.76534 1.000 28.22671 ? 310 HOH A O   1 
HETATM 1080 O O   . HOH C 3 .   ? 11.59044  -7.01645  -1.63189  1.000 33.62481 ? 311 HOH A O   1 
HETATM 1081 O O   . HOH C 3 .   ? 0.21292   -12.22192 -2.28360  1.000 14.12982 ? 312 HOH A O   1 
HETATM 1082 O O   . HOH C 3 .   ? 7.68802   -15.97581 8.95809   1.000 23.35911 ? 313 HOH A O   1 
HETATM 1083 O O   . HOH C 3 .   ? -7.64677  -24.70146 0.46147   1.000 20.01411 ? 314 HOH A O   1 
HETATM 1084 O O   . HOH C 3 .   ? -1.64083  -27.74499 9.83287   1.000 22.00773 ? 315 HOH A O   1 
HETATM 1085 O O   . HOH C 3 .   ? -11.70143 -24.62914 7.88964   1.000 29.84728 ? 316 HOH A O   1 
HETATM 1086 O O   . HOH C 3 .   ? -0.79933  -17.90111 -14.83363 1.000 19.19887 ? 317 HOH A O   1 
HETATM 1087 O O   . HOH C 3 .   ? -3.93071  -32.12467 4.97824   1.000 34.38652 ? 318 HOH A O   1 
HETATM 1088 O O   . HOH C 3 .   ? 14.39319  -30.00381 -1.37656  1.000 29.69943 ? 319 HOH A O   1 
HETATM 1089 O O   . HOH C 3 .   ? 6.70957   -35.88708 -14.66329 1.000 35.50028 ? 320 HOH A O   1 
HETATM 1090 O O   . HOH C 3 .   ? 4.16149   -8.86741  -7.76720  1.000 22.29798 ? 321 HOH A O   1 
HETATM 1091 O O   . HOH C 3 .   ? 4.01759   -22.31621 -17.88913 1.000 31.99455 ? 322 HOH A O   1 
HETATM 1092 O O   . HOH C 3 .   ? 7.73735   -27.67109 13.97049  1.000 30.09280 ? 323 HOH A O   1 
HETATM 1093 O O   . HOH C 3 .   ? -3.56258  -26.55183 7.98356   1.000 17.76267 ? 324 HOH A O   1 
HETATM 1094 O O   . HOH C 3 .   ? -7.59398  -26.24382 -3.55871  1.000 14.89590 ? 325 HOH A O   1 
HETATM 1095 O O   . HOH C 3 .   ? -1.24121  -37.75480 -0.55794  1.000 22.84638 ? 326 HOH A O   1 
HETATM 1096 O O   . HOH C 3 .   ? 3.17918   -7.22830  -11.46589 1.000 31.93533 ? 327 HOH A O   1 
HETATM 1097 O O   . HOH C 3 .   ? -2.15375  -33.93130 -9.05971  1.000 16.65929 ? 328 HOH A O   1 
HETATM 1098 O O   . HOH C 3 .   ? 14.457    -31.841   1.162     1.000 17.46611 ? 329 HOH A O   1 
HETATM 1099 O O   . HOH C 3 .   ? -13.333   -23.725   -2.801    1.000 31.97172 ? 330 HOH A O   1 
HETATM 1100 O O   . HOH C 3 .   ? -11.78553 -13.52758 -4.08598  1.000 8.69208  ? 331 HOH A O   1 
HETATM 1101 O O   . HOH C 3 .   ? -8.34386  -18.21838 -8.18490  1.000 19.64894 ? 332 HOH A O   1 
HETATM 1102 O O   . HOH C 3 .   ? 2.58944   -15.89312 16.40465  1.000 21.37787 ? 333 HOH A O   1 
HETATM 1103 O O   . HOH C 3 .   ? 14.18901  -23.99538 -13.13165 1.000 22.65170 ? 334 HOH A O   1 
HETATM 1104 O O   . HOH C 3 .   ? -5.73117  -23.76467 2.45160   1.000 29.57202 ? 335 HOH A O   1 
HETATM 1105 O O   . HOH C 3 .   ? -6.06732  -11.07790 -9.61013  1.000 12.85785 ? 336 HOH A O   1 
HETATM 1106 O O   . HOH C 3 .   ? -1.03743  -12.86551 17.45066  1.000 35.26408 ? 337 HOH A O   1 
HETATM 1107 O O   . HOH C 3 .   ? -10.50471 -9.25805  15.33169  1.000 34.98651 ? 338 HOH A O   1 
HETATM 1108 O O   . HOH C 3 .   ? -6.02809  -24.67375 -9.90938  1.000 20.53354 ? 339 HOH A O   1 
HETATM 1109 O O   . HOH C 3 .   ? 1.12214   -11.69264 -13.89095 1.000 25.87595 ? 340 HOH A O   1 
HETATM 1110 O O   . HOH C 3 .   ? -4.30116  -7.49398  -9.37422  1.000 23.51279 ? 341 HOH A O   1 
HETATM 1111 O O   . HOH C 3 .   ? 9.22557   -12.97813 2.46671   1.000 28.28819 ? 342 HOH A O   1 
HETATM 1112 O O   . HOH C 3 .   ? -13.90857 -15.26618 7.55531   1.000 11.81682 ? 343 HOH A O   1 
HETATM 1113 O O   . HOH C 3 .   ? 8.77369   -29.11468 11.51085  1.000 31.10273 ? 344 HOH A O   1 
HETATM 1114 O O   . HOH C 3 .   ? 7.61554   -28.46913 -16.99946 1.000 25.64901 ? 345 HOH A O   1 
HETATM 1115 O O   . HOH C 3 .   ? 3.029     -18.592   17.281    1.000 23.43681 ? 346 HOH A O   1 
HETATM 1116 O O   . HOH C 3 .   ? 3.418     -30.400   -17.538   1.000 19.64204 ? 347 HOH A O   1 
HETATM 1117 O O   . HOH C 3 .   ? -0.23236  -6.48467  11.56325  1.000 29.28117 ? 348 HOH A O   1 
HETATM 1118 O O   . HOH C 3 .   ? -4.60456  -6.40984  -0.38487  1.000 17.71906 ? 349 HOH A O   1 
HETATM 1119 O O   . HOH C 3 .   ? 4.23519   -41.06012 -5.63755  1.000 31.90329 ? 350 HOH A O   1 
HETATM 1120 O O   . HOH C 3 .   ? 14.343    -15.294   -7.509    1.000 29.78002 ? 351 HOH A O   1 
HETATM 1121 O O   . HOH C 3 .   ? -0.19325  -38.55357 2.65106   1.000 20.57508 ? 352 HOH A O   1 
HETATM 1122 O O   . HOH C 3 .   ? 10.57577  -31.53173 4.44408   1.000 13.04137 ? 353 HOH A O   1 
HETATM 1123 O O   . HOH C 3 .   ? -0.817    -36.140   -3.816    1.000 13.24176 ? 354 HOH A O   1 
HETATM 1124 O O   . HOH C 3 .   ? -16.14708 -18.63058 -0.94579  1.000 17.66779 ? 355 HOH A O   1 
HETATM 1125 O O   . HOH C 3 .   ? 1.46379   -29.95233 15.58657  1.000 21.32651 ? 356 HOH A O   1 
HETATM 1126 O O   . HOH C 3 .   ? 7.35148   -35.24815 -4.58109  1.000 16.96744 ? 357 HOH A O   1 
HETATM 1127 O O   . HOH C 3 .   ? 4.28973   -32.95187 -12.08081 1.000 21.24393 ? 358 HOH A O   1 
HETATM 1128 O O   . HOH C 3 .   ? 1.37604   -38.97237 -5.17451  1.000 27.30727 ? 359 HOH A O   1 
HETATM 1129 O O   . HOH C 3 .   ? -9.35244  -22.75117 -0.43992  1.000 15.06031 ? 360 HOH A O   1 
HETATM 1130 O O   . HOH C 3 .   ? 6.17266   -28.74013 10.33357  1.000 11.85271 ? 361 HOH A O   1 
HETATM 1131 O O   . HOH C 3 .   ? 11.32547  -17.50055 -13.54755 1.000 28.57762 ? 362 HOH A O   1 
HETATM 1132 O O   . HOH C 3 .   ? 4.06965   -23.04017 13.44919  1.000 20.66531 ? 363 HOH A O   1 
HETATM 1133 O O   . HOH C 3 .   ? 9.62799   -7.69732  0.55368   1.000 27.83565 ? 364 HOH A O   1 
HETATM 1134 O O   . HOH C 3 .   ? 2.93607   -12.21292 7.00360   1.000 16.07793 ? 365 HOH A O   1 
HETATM 1135 O O   . HOH C 3 .   ? -1.83778  -16.76926 0.64229   1.000 8.02945  ? 366 HOH A O   1 
HETATM 1136 O O   . HOH C 3 .   ? 0.53277   -36.98512 5.67977   1.000 32.13915 ? 367 HOH A O   1 
HETATM 1137 O O   . HOH C 3 .   ? 14.44609  -19.64272 -1.78576  1.000 18.10961 ? 368 HOH A O   1 
HETATM 1138 O O   . HOH C 3 .   ? 14.21425  -24.08738 6.51483   1.000 19.02838 ? 369 HOH A O   1 
HETATM 1139 O O   . HOH C 3 .   ? 3.74232   -13.19202 9.35335   1.000 13.74981 ? 370 HOH A O   1 
HETATM 1140 O O   . HOH C 3 .   ? -4.76727  -32.96448 -9.06817  1.000 13.12538 ? 371 HOH A O   1 
HETATM 1141 O O   . HOH C 3 .   ? 2.95509   -31.85519 -9.78148  1.000 18.22690 ? 372 HOH A O   1 
HETATM 1142 O O   . HOH C 3 .   ? -9.92698  -13.48690 11.79002  1.000 14.54814 ? 373 HOH A O   1 
HETATM 1143 O O   . HOH C 3 .   ? 3.03813   -8.44698  0.96894   1.000 15.53790 ? 374 HOH A O   1 
HETATM 1144 O O   . HOH C 3 .   ? 0.91293   -7.40299  1.84556   1.000 17.66383 ? 375 HOH A O   1 
HETATM 1145 O O   . HOH C 3 .   ? 8.82263   -12.62952 -10.02832 1.000 23.00449 ? 376 HOH A O   1 
HETATM 1146 O O   . HOH C 3 .   ? -1.84479  -22.24095 -15.19681 1.000 32.54125 ? 377 HOH A O   1 
HETATM 1147 O O   . HOH C 3 .   ? -8.04723  -12.76197 14.21854  1.000 19.27105 ? 378 HOH A O   1 
HETATM 1148 O O   . HOH C 3 .   ? -5.56525  -26.67283 3.79822   1.000 23.09868 ? 379 HOH A O   1 
HETATM 1149 O O   . HOH C 3 .   ? 6.11446   -33.73720 -2.77565  1.000 16.96954 ? 380 HOH A O   1 
HETATM 1150 O O   . HOH C 3 .   ? -15.55288 -25.61886 3.83025   1.000 34.06729 ? 381 HOH A O   1 
HETATM 1151 O O   . HOH C 3 .   ? 1.04235   -11.24672 0.27980   1.000 11.84563 ? 382 HOH A O   1 
HETATM 1152 O O   . HOH C 3 .   ? -6.47598  -21.60921 10.51758  1.000 26.87217 ? 383 HOH A O   1 
HETATM 1153 O O   . HOH C 3 .   ? -3.36805  -19.52166 21.24967  1.000 27.83079 ? 384 HOH A O   1 
HETATM 1154 O O   . HOH C 3 .   ? -1.69878  -5.38370  -4.32505  1.000 20.30344 ? 385 HOH A O   1 
HETATM 1155 O O   . HOH C 3 .   ? -8.51956  -17.42246 24.68599  1.000 17.75697 ? 386 HOH A O   1 
HETATM 1156 O O   . HOH C 3 .   ? -11.61017 -21.61460 4.78361   1.000 29.74747 ? 387 HOH A O   1 
HETATM 1157 O O   . HOH C 3 .   ? -8.408    -27.905   -10.436   1.000 14.02907 ? 388 HOH A O   1 
HETATM 1158 O O   . HOH C 3 .   ? -2.72106  -10.35572 -13.49899 1.000 26.26995 ? 389 HOH A O   1 
HETATM 1159 O O   . HOH C 3 .   ? -1.190    -25.180   -15.215   1.000 24.04631 ? 390 HOH A O   1 
HETATM 1160 O O   . HOH C 3 .   ? 10.55952  -29.89672 7.86537   1.000 27.11139 ? 391 HOH A O   1 
HETATM 1161 O O   . HOH C 3 .   ? 10.56100  -36.44972 -9.33873  1.000 26.13833 ? 392 HOH A O   1 
HETATM 1162 O O   . HOH C 3 .   ? -3.73401  -5.05504  3.31188   1.000 19.79196 ? 393 HOH A O   1 
HETATM 1163 O O   . HOH C 3 .   ? 13.68523  -17.34178 5.74523   1.000 27.83315 ? 394 HOH A O   1 
HETATM 1164 O O   . HOH C 3 .   ? -18.65932 -10.46134 6.02051   1.000 22.34934 ? 395 HOH A O   1 
HETATM 1165 O O   . HOH C 3 .   ? 5.82406   -16.59122 -15.91468 1.000 17.32218 ? 396 HOH A O   1 
HETATM 1166 O O   . HOH C 3 .   ? -10.66131 -6.43135  12.41728  1.000 14.05462 ? 397 HOH A O   1 
HETATM 1167 O O   . HOH C 3 .   ? 8.79376   -19.90177 10.58513  1.000 29.44122 ? 398 HOH A O   1 
HETATM 1168 O O   . HOH C 3 .   ? 1.30323   -20.00575 -15.90885 1.000 23.33618 ? 399 HOH A O   1 
HETATM 1169 O O   . HOH C 3 .   ? -10.44275 -23.29197 9.93830   1.000 30.32451 ? 400 HOH A O   1 
HETATM 1170 O O   . HOH C 3 .   ? 8.30071   -31.92742 6.76807   1.000 5.27208  ? 401 HOH A O   1 
HETATM 1171 O O   . HOH C 3 .   ? 9.95766   -19.44566 -18.99410 1.000 31.29544 ? 402 HOH A O   1 
HETATM 1172 O O   . HOH C 3 .   ? -0.81722  -15.27855 -15.81458 1.000 20.18500 ? 403 HOH A O   1 
HETATM 1173 O O   . HOH C 3 .   ? -3.22040  -14.31181 18.00780  1.000 18.99721 ? 404 HOH A O   1 
HETATM 1174 O O   . HOH C 3 .   ? 4.13225   -37.23628 -11.06468 1.000 20.72938 ? 405 HOH A O   1 
HETATM 1175 O O   . HOH C 3 .   ? -4.16556  -22.13357 6.21965   1.000 16.26201 ? 406 HOH A O   1 
HETATM 1176 O O   . HOH C 3 .   ? 15.11152  -21.48604 2.38295   1.000 29.67731 ? 407 HOH A O   1 
HETATM 1177 O O   . HOH C 3 .   ? -6.41541  -30.23466 -12.30935 1.000 16.57408 ? 408 HOH A O   1 
HETATM 1178 O O   . HOH C 3 .   ? 11.26470  -28.72864 -7.25637  1.000 6.47279  ? 409 HOH A O   1 
HETATM 1179 O O   . HOH C 3 .   ? -14.303   -24.668   1.958     1.000 34.29841 ? 410 HOH A O   1 
HETATM 1180 O O   . HOH C 3 .   ? 10.07451  -33.63777 -8.22386  1.000 18.57212 ? 411 HOH A O   1 
HETATM 1181 O O   . HOH C 3 .   ? 11.40743  -17.92620 -17.09675 1.000 24.87567 ? 412 HOH A O   1 
HETATM 1182 O O   . HOH C 3 .   ? -11.73416 -21.33121 16.57291  1.000 42.26001 ? 413 HOH A O   1 
HETATM 1183 O O   . HOH C 3 .   ? -13.61041 -13.61041 17.66750  0.50  32.52203 ? 414 HOH A O   1 
HETATM 1184 O O   . HOH C 3 .   ? 5.59269   -19.17703 -17.00989 1.000 17.86785 ? 415 HOH A O   1 
HETATM 1185 O O   . HOH C 3 .   ? -16.256   -15.169   1.086     1.000 27.60361 ? 416 HOH A O   1 
HETATM 1186 O O   . HOH C 3 .   ? -13.50046 -20.77861 12.65212  1.000 33.30969 ? 417 HOH A O   1 
HETATM 1187 O O   . HOH C 3 .   ? -2.85071  -7.61757  12.32068  1.000 19.22066 ? 418 HOH A O   1 
HETATM 1188 O O   . HOH C 3 .   ? -5.51234  -9.53264  15.66609  1.000 18.76766 ? 419 HOH A O   1 
HETATM 1189 O O   . HOH C 3 .   ? 6.21311   -10.46334 -5.08919  1.000 11.47081 ? 420 HOH A O   1 
HETATM 1190 O O   . HOH C 3 .   ? 8.96185   -27.12197 -19.00400 1.000 25.85108 ? 421 HOH A O   1 
HETATM 1191 O O   . HOH C 3 .   ? 0.847     -23.488   -15.536   1.000 15.35750 ? 422 HOH A O   1 
HETATM 1192 O O   . HOH C 3 .   ? -5.748    -6.650    11.309    1.000 25.00869 ? 423 HOH A O   1 
HETATM 1193 O O   . HOH C 3 .   ? -3.258    -26.250   -16.756   1.000 24.84241 ? 424 HOH A O   1 
HETATM 1194 O O   . HOH C 3 .   ? -11.90650 -12.36960 13.73155  1.000 14.55255 ? 425 HOH A O   1 
HETATM 1195 O O   . HOH C 3 .   ? 11.94801  -32.67951 -4.10124  1.000 27.25086 ? 426 HOH A O   1 
HETATM 1196 O O   . HOH C 3 .   ? -9.15910  -19.59998 20.55448  1.000 33.06996 ? 427 HOH A O   1 
HETATM 1197 O O   . HOH C 3 .   ? -4.33760  -24.23041 4.41569   1.000 34.24231 ? 428 HOH A O   1 
HETATM 1198 O O   . HOH C 3 .   ? 14.93583  -9.07319  -2.01606  1.000 29.19352 ? 429 HOH A O   1 
HETATM 1199 O O   . HOH C 3 .   ? 1.54246   -32.47802 14.29391  1.000 35.40291 ? 430 HOH A O   1 
HETATM 1200 O O   . HOH C 3 .   ? 2.37076   -39.30331 -8.22886  1.000 30.56174 ? 431 HOH A O   1 
HETATM 1201 O O   . HOH C 3 .   ? -11.31583 -21.26764 19.91801  1.000 36.93098 ? 432 HOH A O   1 
HETATM 1202 O O   . HOH C 3 .   ? -14.886   -23.510   15.523    1.000 33.61289 ? 433 HOH A O   1 
HETATM 1203 O O   . HOH C 3 .   ? -21.14928 -16.93420 4.33238   1.000 37.74628 ? 434 HOH A O   1 
HETATM 1204 O O   . HOH C 3 .   ? 1.31741   -14.12192 18.15718  1.000 30.45661 ? 435 HOH A O   1 
HETATM 1205 O O   . HOH C 3 .   ? -12.173   -28.062   6.560     1.000 31.78861 ? 436 HOH A O   1 
HETATM 1206 O O   . HOH C 3 .   ? 1.92733   -22.59443 15.21557  1.000 12.72225 ? 437 HOH A O   1 
HETATM 1207 O O   . HOH C 3 .   ? 3.73611   -39.14626 -1.48044  1.000 15.65173 ? 438 HOH A O   1 
HETATM 1208 O O   . HOH C 3 .   ? 4.44360   -10.01048 6.75914   1.000 22.15114 ? 439 HOH A O   1 
HETATM 1209 O O   . HOH C 3 .   ? 4.49306   -39.50629 -9.69159  1.000 35.24983 ? 440 HOH A O   1 
HETATM 1210 O O   . HOH C 3 .   ? -8.39805  -8.11385  16.16627  1.000 41.45674 ? 441 HOH A O   1 
HETATM 1211 O O   . HOH C 3 .   ? -2.074    -34.202   12.834    1.000 25.40500 ? 442 HOH A O   1 
HETATM 1212 O O   . HOH C 3 .   ? -8.43401  -26.64661 -0.92203  1.000 35.43100 ? 443 HOH A O   1 
HETATM 1213 O O   . HOH C 3 .   ? 5.24900   -11.31369 12.34446  1.000 31.86272 ? 444 HOH A O   1 
HETATM 1214 O O   . HOH C 3 .   ? -20.808   -28.808   5.081     1.000 36.53554 ? 445 HOH A O   1 
HETATM 1215 O O   . HOH C 3 .   ? 15.175    -29.663   6.412     1.000 29.48276 ? 446 HOH A O   1 
HETATM 1216 O O   . HOH C 3 .   ? -2.98075  -4.24118  -6.36447  1.000 31.20688 ? 447 HOH A O   1 
HETATM 1217 O O   . HOH C 3 .   ? -7.19341  -12.02184 16.66878  1.000 26.51095 ? 448 HOH A O   1 
HETATM 1218 O O   . HOH C 3 .   ? -18.688   -10.352   12.053    1.000 30.95809 ? 449 HOH A O   1 
HETATM 1219 O O   . HOH C 3 .   ? -2.88641  -4.83585  -2.08860  1.000 21.47540 ? 450 HOH A O   1 
HETATM 1220 O O   . HOH C 3 .   ? 5.09733   -6.51899  1.94342   1.000 25.64574 ? 451 HOH A O   1 
HETATM 1221 O O   . HOH C 3 .   ? -7.66781  -24.22859 11.11864  1.000 32.36612 ? 452 HOH A O   1 
HETATM 1222 O O   . HOH C 3 .   ? 14.29981  -27.52971 -7.39971  1.000 35.71294 ? 453 HOH A O   1 
HETATM 1223 O O   . HOH C 3 .   ? 6.84146   -10.48323 -7.99418  1.000 31.14588 ? 454 HOH A O   1 
HETATM 1224 O O   . HOH C 3 .   ? -0.30131  -5.30003  1.69179   1.000 34.85373 ? 455 HOH A O   1 
HETATM 1225 O O   . HOH C 3 .   ? 12.67724  -16.57880 -19.13088 1.000 33.34363 ? 456 HOH A O   1 
HETATM 1226 O O   . HOH C 3 .   ? 8.05146   -17.54343 11.47198  1.000 35.35016 ? 457 HOH A O   1 
HETATM 1227 O O   . HOH C 3 .   ? 8.95254   -38.58759 -9.58884  1.000 23.36634 ? 458 HOH A O   1 
HETATM 1228 O O   . HOH C 3 .   ? 15.59067  -22.16745 4.84232   1.000 32.67187 ? 459 HOH A O   1 
HETATM 1229 O O   . HOH C 3 .   ? 2.27959   -35.53901 -11.84678 1.000 32.05080 ? 460 HOH A O   1 
HETATM 1230 O O   . HOH C 3 .   ? -19.00064 -19.00064 0.00000   0.50  29.12145 ? 461 HOH A O   1 
HETATM 1231 O O   . HOH C 3 .   ? 7.238     -19.342   16.537    1.000 28.32154 ? 462 HOH A O   1 
HETATM 1232 O O   . HOH C 3 .   ? 0.94465   -39.46036 -0.61892  1.000 19.35672 ? 463 HOH A O   1 
HETATM 1233 O O   . HOH C 3 .   ? 6.53444   -12.93466 10.01486  1.000 30.21001 ? 464 HOH A O   1 
HETATM 1234 O O   . HOH C 3 .   ? 6.984     -42.155   -7.948    1.000 26.65476 ? 465 HOH A O   1 
HETATM 1235 O O   . HOH C 3 .   ? 2.37819   -42.08131 -7.22549  1.000 37.50329 ? 466 HOH A O   1 
HETATM 1236 O O   . HOH C 3 .   ? 4.120     -33.488   -14.569   1.000 28.62971 ? 467 HOH A O   1 
HETATM 1237 O O   . HOH C 3 .   ? -6.852    -12.068   20.374    1.000 26.09336 ? 468 HOH A O   1 
HETATM 1238 O O   . HOH C 3 .   ? -0.37109  -5.65763  6.42290   1.000 30.17131 ? 469 HOH A O   1 
HETATM 1239 O O   . HOH C 3 .   ? -1.95254  -4.24245  5.13624   1.000 30.49109 ? 470 HOH A O   1 
HETATM 1240 O O   . HOH C 3 .   ? 3.62271   -7.54227  5.79146   1.000 29.62875 ? 471 HOH A O   1 
HETATM 1241 O O   . HOH C 3 .   ? 1.77423   -6.43852  4.40680   1.000 25.09088 ? 472 HOH A O   1 
# 
