data_8XPI
# 
_entry.id   8XPI 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.399 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   8XPI         pdb_00008xpi 10.2210/pdb8xpi/pdb 
WWPDB D_1300043964 ?            ?                   
# 
_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       2025-01-15 
# 
_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                        8XPI 
_pdbx_database_status.recvd_initial_deposition_date   2024-01-03 
_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 
2 2016302200402@webmail.hzau.edu.cn Ding     Zhang ? 'principal investigator/group leader' 0000-0002-5520-7629 
3 zhaotianzhang@webmail.hzau.edu.cn Zhaotian Zhang ? 'principal investigator/group leader' 0009-0006-0317-0058 
4 shiyuejun2017@mail.hzau.edu.cn    Yuejun   Shi   ? 'principal investigator/group leader' 0000-0002-9500-6995 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Zhang, D.'   1 0000-0002-5520-7629 
'Zhang, Z.T.' 2 0009-0006-0317-0058 
'Shi, Y.J.'   3 0000-0002-9500-6995 
'Peng, G.Q.'  4 0000-0002-7093-4728 
# 
_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                     'Structure of the C-terminal domain of nsp4 from PEDV' 
_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 'Zhang, D.'   1 0000-0002-5520-7629 
primary 'Zhang, Z.T.' 2 0009-0006-0317-0058 
primary 'Shi, Y.J.'   3 0000-0002-9500-6995 
primary 'Peng, G.Q.'  4 0000-0002-7093-4728 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer man 'ORF1ab polyprotein' 12320.588 1  ? ? Nsp4C ? 
2 water   nat water                18.015    37 ? ? ?     ? 
# 
_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       
;MLFEGDKFVGSFENAAAGTFVLDMYAYERLANSISTEKLRQYASTYNKYKYYSGSASEADYRLACFAHLAKAMMDYASNH
NDTLYTPPTVSYNSTLQLEHHHHHHHH
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MLFEGDKFVGSFENAAAGTFVLDMYAYERLANSISTEKLRQYASTYNKYKYYSGSASEADYRLACFAHLAKAMMDYASNH
NDTLYTPPTVSYNSTLQLEHHHHHHHH
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
_pdbx_entity_nonpoly.entity_id   2 
_pdbx_entity_nonpoly.name        water 
_pdbx_entity_nonpoly.comp_id     HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   LEU n 
1 3   PHE n 
1 4   GLU n 
1 5   GLY n 
1 6   ASP n 
1 7   LYS n 
1 8   PHE n 
1 9   VAL n 
1 10  GLY n 
1 11  SER n 
1 12  PHE n 
1 13  GLU n 
1 14  ASN n 
1 15  ALA n 
1 16  ALA n 
1 17  ALA n 
1 18  GLY n 
1 19  THR n 
1 20  PHE n 
1 21  VAL n 
1 22  LEU n 
1 23  ASP n 
1 24  MET n 
1 25  TYR n 
1 26  ALA n 
1 27  TYR n 
1 28  GLU n 
1 29  ARG n 
1 30  LEU n 
1 31  ALA n 
1 32  ASN n 
1 33  SER n 
1 34  ILE n 
1 35  SER n 
1 36  THR n 
1 37  GLU n 
1 38  LYS n 
1 39  LEU n 
1 40  ARG n 
1 41  GLN n 
1 42  TYR n 
1 43  ALA n 
1 44  SER n 
1 45  THR n 
1 46  TYR n 
1 47  ASN n 
1 48  LYS n 
1 49  TYR n 
1 50  LYS n 
1 51  TYR n 
1 52  TYR n 
1 53  SER n 
1 54  GLY n 
1 55  SER n 
1 56  ALA n 
1 57  SER n 
1 58  GLU n 
1 59  ALA n 
1 60  ASP n 
1 61  TYR n 
1 62  ARG n 
1 63  LEU n 
1 64  ALA n 
1 65  CYS n 
1 66  PHE n 
1 67  ALA n 
1 68  HIS n 
1 69  LEU n 
1 70  ALA n 
1 71  LYS n 
1 72  ALA n 
1 73  MET n 
1 74  MET n 
1 75  ASP n 
1 76  TYR n 
1 77  ALA n 
1 78  SER n 
1 79  ASN n 
1 80  HIS n 
1 81  ASN n 
1 82  ASP n 
1 83  THR n 
1 84  LEU n 
1 85  TYR n 
1 86  THR n 
1 87  PRO n 
1 88  PRO n 
1 89  THR n 
1 90  VAL n 
1 91  SER n 
1 92  TYR n 
1 93  ASN n 
1 94  SER n 
1 95  THR n 
1 96  LEU n 
1 97  GLN n 
1 98  LEU n 
1 99  GLU n 
1 100 HIS n 
1 101 HIS n 
1 102 HIS n 
1 103 HIS n 
1 104 HIS n 
1 105 HIS n 
1 106 HIS n 
1 107 HIS n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   107 
_entity_src_gen.gene_src_common_name               ? 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 ? 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Porcine epidemic diarrhea virus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     28295 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE         ? 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE        ? 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE      ? 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'     133.103 
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 
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   MET 1   1   1  MET MET A . n 
A 1 2   LEU 2   2   2  LEU LEU A . n 
A 1 3   PHE 3   3   3  PHE PHE A . n 
A 1 4   GLU 4   4   4  GLU GLU A . n 
A 1 5   GLY 5   5   5  GLY GLY A . n 
A 1 6   ASP 6   6   6  ASP ASP A . n 
A 1 7   LYS 7   7   7  LYS LYS A . n 
A 1 8   PHE 8   8   8  PHE PHE A . n 
A 1 9   VAL 9   9   9  VAL VAL A . n 
A 1 10  GLY 10  10  10 GLY GLY A . n 
A 1 11  SER 11  11  11 SER SER A . n 
A 1 12  PHE 12  12  12 PHE PHE A . n 
A 1 13  GLU 13  13  13 GLU GLU A . n 
A 1 14  ASN 14  14  14 ASN ASN A . n 
A 1 15  ALA 15  15  15 ALA ALA A . n 
A 1 16  ALA 16  16  16 ALA ALA A . n 
A 1 17  ALA 17  17  17 ALA ALA A . n 
A 1 18  GLY 18  18  18 GLY GLY A . n 
A 1 19  THR 19  19  19 THR THR A . n 
A 1 20  PHE 20  20  20 PHE PHE A . n 
A 1 21  VAL 21  21  21 VAL VAL A . n 
A 1 22  LEU 22  22  22 LEU LEU A . n 
A 1 23  ASP 23  23  23 ASP ASP A . n 
A 1 24  MET 24  24  24 MET MET A . n 
A 1 25  TYR 25  25  25 TYR TYR A . n 
A 1 26  ALA 26  26  26 ALA ALA A . n 
A 1 27  TYR 27  27  27 TYR TYR A . n 
A 1 28  GLU 28  28  28 GLU GLU A . n 
A 1 29  ARG 29  29  29 ARG ARG A . n 
A 1 30  LEU 30  30  30 LEU LEU A . n 
A 1 31  ALA 31  31  31 ALA ALA A . n 
A 1 32  ASN 32  32  32 ASN ASN A . n 
A 1 33  SER 33  33  33 SER SER A . n 
A 1 34  ILE 34  34  34 ILE ILE A . n 
A 1 35  SER 35  35  35 SER SER A . n 
A 1 36  THR 36  36  36 THR THR A . n 
A 1 37  GLU 37  37  37 GLU GLU A . n 
A 1 38  LYS 38  38  38 LYS LYS A . n 
A 1 39  LEU 39  39  39 LEU LEU A . n 
A 1 40  ARG 40  40  40 ARG ARG A . n 
A 1 41  GLN 41  41  41 GLN GLN A . n 
A 1 42  TYR 42  42  42 TYR TYR A . n 
A 1 43  ALA 43  43  43 ALA ALA A . n 
A 1 44  SER 44  44  44 SER SER A . n 
A 1 45  THR 45  45  45 THR THR A . n 
A 1 46  TYR 46  46  46 TYR TYR A . n 
A 1 47  ASN 47  47  47 ASN ASN A . n 
A 1 48  LYS 48  48  48 LYS LYS A . n 
A 1 49  TYR 49  49  49 TYR TYR A . n 
A 1 50  LYS 50  50  50 LYS LYS A . n 
A 1 51  TYR 51  51  51 TYR TYR A . n 
A 1 52  TYR 52  52  52 TYR TYR A . n 
A 1 53  SER 53  53  53 SER SER A . n 
A 1 54  GLY 54  54  54 GLY GLY A . n 
A 1 55  SER 55  55  55 SER SER A . n 
A 1 56  ALA 56  56  56 ALA ALA A . n 
A 1 57  SER 57  57  57 SER SER A . n 
A 1 58  GLU 58  58  58 GLU GLU A . n 
A 1 59  ALA 59  59  59 ALA ALA A . n 
A 1 60  ASP 60  60  60 ASP ASP A . n 
A 1 61  TYR 61  61  61 TYR TYR A . n 
A 1 62  ARG 62  62  62 ARG ARG A . n 
A 1 63  LEU 63  63  63 LEU LEU A . n 
A 1 64  ALA 64  64  64 ALA ALA A . n 
A 1 65  CYS 65  65  65 CYS CYS A . n 
A 1 66  PHE 66  66  66 PHE PHE A . n 
A 1 67  ALA 67  67  67 ALA ALA A . n 
A 1 68  HIS 68  68  68 HIS HIS A . n 
A 1 69  LEU 69  69  69 LEU LEU A . n 
A 1 70  ALA 70  70  70 ALA ALA A . n 
A 1 71  LYS 71  71  71 LYS LYS A . n 
A 1 72  ALA 72  72  72 ALA ALA A . n 
A 1 73  MET 73  73  73 MET MET A . n 
A 1 74  MET 74  74  74 MET MET A . n 
A 1 75  ASP 75  75  75 ASP ASP A . n 
A 1 76  TYR 76  76  76 TYR TYR A . n 
A 1 77  ALA 77  77  77 ALA ALA A . n 
A 1 78  SER 78  78  78 SER SER A . n 
A 1 79  ASN 79  79  79 ASN ASN A . n 
A 1 80  HIS 80  80  80 HIS HIS A . n 
A 1 81  ASN 81  81  81 ASN ASN A . n 
A 1 82  ASP 82  82  82 ASP ASP A . n 
A 1 83  THR 83  83  83 THR THR A . n 
A 1 84  LEU 84  84  84 LEU LEU A . n 
A 1 85  TYR 85  85  85 TYR TYR A . n 
A 1 86  THR 86  86  86 THR THR A . n 
A 1 87  PRO 87  87  87 PRO PRO A . n 
A 1 88  PRO 88  88  88 PRO PRO A . n 
A 1 89  THR 89  89  89 THR THR A . n 
A 1 90  VAL 90  90  90 VAL VAL A . n 
A 1 91  SER 91  91  ?  ?   ?   A . n 
A 1 92  TYR 92  92  ?  ?   ?   A . n 
A 1 93  ASN 93  93  ?  ?   ?   A . n 
A 1 94  SER 94  94  ?  ?   ?   A . n 
A 1 95  THR 95  95  ?  ?   ?   A . n 
A 1 96  LEU 96  96  ?  ?   ?   A . n 
A 1 97  GLN 97  97  ?  ?   ?   A . n 
A 1 98  LEU 98  98  ?  ?   ?   A . n 
A 1 99  GLU 99  99  ?  ?   ?   A . n 
A 1 100 HIS 100 100 ?  ?   ?   A . n 
A 1 101 HIS 101 101 ?  ?   ?   A . n 
A 1 102 HIS 102 102 ?  ?   ?   A . n 
A 1 103 HIS 103 103 ?  ?   ?   A . n 
A 1 104 HIS 104 104 ?  ?   ?   A . n 
A 1 105 HIS 105 105 ?  ?   ?   A . n 
A 1 106 HIS 106 106 ?  ?   ?   A . n 
A 1 107 HIS 107 107 ?  ?   ?   A . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 HOH 1  201 10 HOH HOH A . 
B 2 HOH 2  202 16 HOH HOH A . 
B 2 HOH 3  203 33 HOH HOH A . 
B 2 HOH 4  204 21 HOH HOH A . 
B 2 HOH 5  205 4  HOH HOH A . 
B 2 HOH 6  206 9  HOH HOH A . 
B 2 HOH 7  207 19 HOH HOH A . 
B 2 HOH 8  208 32 HOH HOH A . 
B 2 HOH 9  209 1  HOH HOH A . 
B 2 HOH 10 210 31 HOH HOH A . 
B 2 HOH 11 211 7  HOH HOH A . 
B 2 HOH 12 212 5  HOH HOH A . 
B 2 HOH 13 213 8  HOH HOH A . 
B 2 HOH 14 214 6  HOH HOH A . 
B 2 HOH 15 215 22 HOH HOH A . 
B 2 HOH 16 216 24 HOH HOH A . 
B 2 HOH 17 217 23 HOH HOH A . 
B 2 HOH 18 218 25 HOH HOH A . 
B 2 HOH 19 219 11 HOH HOH A . 
B 2 HOH 20 220 12 HOH HOH A . 
B 2 HOH 21 221 2  HOH HOH A . 
B 2 HOH 22 222 30 HOH HOH A . 
B 2 HOH 23 223 17 HOH HOH A . 
B 2 HOH 24 224 18 HOH HOH A . 
B 2 HOH 25 225 13 HOH HOH A . 
B 2 HOH 26 226 36 HOH HOH A . 
B 2 HOH 27 227 3  HOH HOH A . 
B 2 HOH 28 228 14 HOH HOH A . 
B 2 HOH 29 229 38 HOH HOH A . 
B 2 HOH 30 230 28 HOH HOH A . 
B 2 HOH 31 231 35 HOH HOH A . 
B 2 HOH 32 232 20 HOH HOH A . 
B 2 HOH 33 233 34 HOH HOH A . 
B 2 HOH 34 234 26 HOH HOH A . 
B 2 HOH 35 235 29 HOH HOH A . 
B 2 HOH 36 236 37 HOH HOH A . 
B 2 HOH 37 237 15 HOH HOH A . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX  ? ? ? '(1.20.1_4487: ???)' 1 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .                    2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? xia2    ? ? ? .                    3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .                    4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  120.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8XPI 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     58.815 
_cell.length_a_esd                 ? 
_cell.length_b                     58.815 
_cell.length_b_esd                 ? 
_cell.length_c                     52.014 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        6 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         8XPI 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                169 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 61' 
_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                   8XPI 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.11 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          41.65 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              7.0 
_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    '800 mM Succinic acid pH 7.0' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER2 S 9M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-12-14 
_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   0.97918 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'SSRF BEAMLINE BL02U1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.97918 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   BL02U1 
_diffrn_source.pdbx_synchrotron_site       SSRF 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8XPI 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.84 
_reflns.d_resolution_low                               50.94 
_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                                     9006 
_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                           99.9 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                17.0 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          21.000 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   ? 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.065 
_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                                    1.84 
_reflns_shell.d_res_low                                     1.94 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1281 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  ? 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  1.220 
_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                               ? 
_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                                 8XPI 
_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                            1.84 
_refine.ls_d_res_low                             29.41 
_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                     8941 
_refine.ls_number_reflns_R_free                  455 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.38 
_refine.ls_percent_reflns_R_free                 5.09 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2033 
_refine.ls_R_factor_R_free                       0.2451 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2012 
_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               THROUGHOUT 
_refine.pdbx_method_to_determine_struct          SAD 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ML 
_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             1.10 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.90 
_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                 31.21 
_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                            0.19 
_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                       1.84 
_refine_hist.d_res_low                        29.41 
_refine_hist.number_atoms_solvent             37 
_refine_hist.number_atoms_total               752 
_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        715 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         0 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.010  ? 4914 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.341  ? 5502 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 16.780 ? 260  ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.057  ? 104  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.013  ? 128  ? f_plane_restr      ? ? 
# 
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' 1.84 2.10 . . 112 2813 98.00  . . . . 0.2661 . . . . . . . . . . . 0.3057 
'X-RAY DIFFRACTION' 2.10 2.65 . . 201 2780 100.00 . . . . 0.2340 . . . . . . . . . . . 0.2569 
'X-RAY DIFFRACTION' 2.65 2.89 . . 142 2893 100.00 . . . . 0.1824 . . . . . . . . . . . 0.2319 
# 
_struct.entry_id                     8XPI 
_struct.title                        'Structure of the C-terminal domain of nsp4 from PEDV' 
_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        8XPI 
_struct_keywords.text            'Coronavirus, PEDV, nsp4, VIRAL PROTEIN' 
_struct_keywords.pdbx_keywords   'VIRAL PROTEIN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    A0A0P0TE07_9ALPC 
_struct_ref.pdbx_db_accession          A0A0P0TE07 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;LFEGDKFVGSFENAAAGTFVLDMYAYERLANSISTEKLRQYASTYNKYKYYSGSASEADYRLACFAHLAKAMMDYASNHN
DTLYTPPTVSYNSTLQ
;
_struct_ref.pdbx_align_begin           2902 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              8XPI 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 2 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 97 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             A0A0P0TE07 
_struct_ref_seq.db_align_beg                  2902 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  2997 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       2 
_struct_ref_seq.pdbx_auth_seq_align_end       97 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 8XPI MET A 1   ? UNP A0A0P0TE07 ? ? 'initiating methionine' 1   1  
1 8XPI LEU A 98  ? UNP A0A0P0TE07 ? ? 'expression tag'        98  2  
1 8XPI GLU A 99  ? UNP A0A0P0TE07 ? ? 'expression tag'        99  3  
1 8XPI HIS A 100 ? UNP A0A0P0TE07 ? ? 'expression tag'        100 4  
1 8XPI HIS A 101 ? UNP A0A0P0TE07 ? ? 'expression tag'        101 5  
1 8XPI HIS A 102 ? UNP A0A0P0TE07 ? ? 'expression tag'        102 6  
1 8XPI HIS A 103 ? UNP A0A0P0TE07 ? ? 'expression tag'        103 7  
1 8XPI HIS A 104 ? UNP A0A0P0TE07 ? ? 'expression tag'        104 8  
1 8XPI HIS A 105 ? UNP A0A0P0TE07 ? ? 'expression tag'        105 9  
1 8XPI HIS A 106 ? UNP A0A0P0TE07 ? ? 'expression tag'        106 10 
1 8XPI HIS A 107 ? UNP A0A0P0TE07 ? ? 'expression tag'        107 11 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 SER A 11 ? ALA A 16 ? SER A 11 ALA A 16 1 ? 6  
HELX_P HELX_P2 AA2 ASP A 23 ? ASN A 32 ? ASP A 23 ASN A 32 1 ? 10 
HELX_P HELX_P3 AA3 SER A 35 ? THR A 45 ? SER A 35 THR A 45 1 ? 11 
HELX_P HELX_P4 AA4 THR A 45 ? LYS A 50 ? THR A 45 LYS A 50 1 ? 6  
HELX_P HELX_P5 AA5 ASP A 60 ? HIS A 80 ? ASP A 60 HIS A 80 1 ? 21 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   2 
_struct_sheet.details          ? 
# 
_struct_sheet_order.sheet_id     AA1 
_struct_sheet_order.range_id_1   1 
_struct_sheet_order.range_id_2   2 
_struct_sheet_order.offset       ? 
_struct_sheet_order.sense        anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 PHE A 20 ? LEU A 22 ? PHE A 20 LEU A 22 
AA1 2 THR A 83 ? TYR A 85 ? THR A 83 TYR A 85 
# 
_pdbx_struct_sheet_hbond.sheet_id                AA1 
_pdbx_struct_sheet_hbond.range_id_1              1 
_pdbx_struct_sheet_hbond.range_id_2              2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id   N 
_pdbx_struct_sheet_hbond.range_1_label_comp_id   LEU 
_pdbx_struct_sheet_hbond.range_1_label_asym_id   A 
_pdbx_struct_sheet_hbond.range_1_label_seq_id    22 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code    ? 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id    N 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id    LEU 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id    A 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id     22 
_pdbx_struct_sheet_hbond.range_2_label_atom_id   O 
_pdbx_struct_sheet_hbond.range_2_label_comp_id   THR 
_pdbx_struct_sheet_hbond.range_2_label_asym_id   A 
_pdbx_struct_sheet_hbond.range_2_label_seq_id    83 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code    ? 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id    O 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id    THR 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id    A 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id     83 
# 
_pdbx_entry_details.entry_id                   8XPI 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     ? 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 SER A 53 ? ? -140.48 -5.43  
2 1 PRO A 88 ? ? -38.70  120.96 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A SER 91  ? A SER 91  
2  1 Y 1 A TYR 92  ? A TYR 92  
3  1 Y 1 A ASN 93  ? A ASN 93  
4  1 Y 1 A SER 94  ? A SER 94  
5  1 Y 1 A THR 95  ? A THR 95  
6  1 Y 1 A LEU 96  ? A LEU 96  
7  1 Y 1 A GLN 97  ? A GLN 97  
8  1 Y 1 A LEU 98  ? A LEU 98  
9  1 Y 1 A GLU 99  ? A GLU 99  
10 1 Y 1 A HIS 100 ? A HIS 100 
11 1 Y 1 A HIS 101 ? A HIS 101 
12 1 Y 1 A HIS 102 ? A HIS 102 
13 1 Y 1 A HIS 103 ? A HIS 103 
14 1 Y 1 A HIS 104 ? A HIS 104 
15 1 Y 1 A HIS 105 ? A HIS 105 
16 1 Y 1 A HIS 106 ? A HIS 106 
17 1 Y 1 A HIS 107 ? A HIS 107 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
GLN N    N N N 88  
GLN CA   C N S 89  
GLN C    C N N 90  
GLN O    O N N 91  
GLN CB   C N N 92  
GLN CG   C N N 93  
GLN CD   C N N 94  
GLN OE1  O N N 95  
GLN NE2  N N N 96  
GLN OXT  O N N 97  
GLN H    H N N 98  
GLN H2   H N N 99  
GLN HA   H N N 100 
GLN HB2  H N N 101 
GLN HB3  H N N 102 
GLN HG2  H N N 103 
GLN HG3  H N N 104 
GLN HE21 H N N 105 
GLN HE22 H N N 106 
GLN HXT  H N N 107 
GLU N    N N N 108 
GLU CA   C N S 109 
GLU C    C N N 110 
GLU O    O N N 111 
GLU CB   C N N 112 
GLU CG   C N N 113 
GLU CD   C N N 114 
GLU OE1  O N N 115 
GLU OE2  O N N 116 
GLU OXT  O N N 117 
GLU H    H N N 118 
GLU H2   H N N 119 
GLU HA   H N N 120 
GLU HB2  H N N 121 
GLU HB3  H N N 122 
GLU HG2  H N N 123 
GLU HG3  H N N 124 
GLU HE2  H N N 125 
GLU HXT  H N N 126 
GLY N    N N N 127 
GLY CA   C N N 128 
GLY C    C N N 129 
GLY O    O N N 130 
GLY OXT  O N N 131 
GLY H    H N N 132 
GLY H2   H N N 133 
GLY HA2  H N N 134 
GLY HA3  H N N 135 
GLY HXT  H N N 136 
HIS N    N N N 137 
HIS CA   C N S 138 
HIS C    C N N 139 
HIS O    O N N 140 
HIS CB   C N N 141 
HIS CG   C Y N 142 
HIS ND1  N Y N 143 
HIS CD2  C Y N 144 
HIS CE1  C Y N 145 
HIS NE2  N Y N 146 
HIS OXT  O N N 147 
HIS H    H N N 148 
HIS H2   H N N 149 
HIS HA   H N N 150 
HIS HB2  H N N 151 
HIS HB3  H N N 152 
HIS HD1  H N N 153 
HIS HD2  H N N 154 
HIS HE1  H N N 155 
HIS HE2  H N N 156 
HIS HXT  H N N 157 
HOH O    O N N 158 
HOH H1   H N N 159 
HOH H2   H N N 160 
ILE N    N N N 161 
ILE CA   C N S 162 
ILE C    C N N 163 
ILE O    O N N 164 
ILE CB   C N S 165 
ILE CG1  C N N 166 
ILE CG2  C N N 167 
ILE CD1  C N N 168 
ILE OXT  O N N 169 
ILE H    H N N 170 
ILE H2   H N N 171 
ILE HA   H N N 172 
ILE HB   H N N 173 
ILE HG12 H N N 174 
ILE HG13 H N N 175 
ILE HG21 H N N 176 
ILE HG22 H N N 177 
ILE HG23 H N N 178 
ILE HD11 H N N 179 
ILE HD12 H N N 180 
ILE HD13 H N N 181 
ILE HXT  H N N 182 
LEU N    N N N 183 
LEU CA   C N S 184 
LEU C    C N N 185 
LEU O    O N N 186 
LEU CB   C N N 187 
LEU CG   C N N 188 
LEU CD1  C N N 189 
LEU CD2  C N N 190 
LEU OXT  O N N 191 
LEU H    H N N 192 
LEU H2   H N N 193 
LEU HA   H N N 194 
LEU HB2  H N N 195 
LEU HB3  H N N 196 
LEU HG   H N N 197 
LEU HD11 H N N 198 
LEU HD12 H N N 199 
LEU HD13 H N N 200 
LEU HD21 H N N 201 
LEU HD22 H N N 202 
LEU HD23 H N N 203 
LEU HXT  H N N 204 
LYS N    N N N 205 
LYS CA   C N S 206 
LYS C    C N N 207 
LYS O    O N N 208 
LYS CB   C N N 209 
LYS CG   C N N 210 
LYS CD   C N N 211 
LYS CE   C N N 212 
LYS NZ   N N N 213 
LYS OXT  O N N 214 
LYS H    H N N 215 
LYS H2   H N N 216 
LYS HA   H N N 217 
LYS HB2  H N N 218 
LYS HB3  H N N 219 
LYS HG2  H N N 220 
LYS HG3  H N N 221 
LYS HD2  H N N 222 
LYS HD3  H N N 223 
LYS HE2  H N N 224 
LYS HE3  H N N 225 
LYS HZ1  H N N 226 
LYS HZ2  H N N 227 
LYS HZ3  H N N 228 
LYS HXT  H N N 229 
MET N    N N N 230 
MET CA   C N S 231 
MET C    C N N 232 
MET O    O N N 233 
MET CB   C N N 234 
MET CG   C N N 235 
MET SD   S N N 236 
MET CE   C N N 237 
MET OXT  O N N 238 
MET H    H N N 239 
MET H2   H N N 240 
MET HA   H N N 241 
MET HB2  H N N 242 
MET HB3  H N N 243 
MET HG2  H N N 244 
MET HG3  H N N 245 
MET HE1  H N N 246 
MET HE2  H N N 247 
MET HE3  H N N 248 
MET HXT  H N N 249 
PHE N    N N N 250 
PHE CA   C N S 251 
PHE C    C N N 252 
PHE O    O N N 253 
PHE CB   C N N 254 
PHE CG   C Y N 255 
PHE CD1  C Y N 256 
PHE CD2  C Y N 257 
PHE CE1  C Y N 258 
PHE CE2  C Y N 259 
PHE CZ   C Y N 260 
PHE OXT  O N N 261 
PHE H    H N N 262 
PHE H2   H N N 263 
PHE HA   H N N 264 
PHE HB2  H N N 265 
PHE HB3  H N N 266 
PHE HD1  H N N 267 
PHE HD2  H N N 268 
PHE HE1  H N N 269 
PHE HE2  H N N 270 
PHE HZ   H N N 271 
PHE HXT  H N N 272 
PRO N    N N N 273 
PRO CA   C N S 274 
PRO C    C N N 275 
PRO O    O N N 276 
PRO CB   C N N 277 
PRO CG   C N N 278 
PRO CD   C N N 279 
PRO OXT  O N N 280 
PRO H    H N N 281 
PRO HA   H N N 282 
PRO HB2  H N N 283 
PRO HB3  H N N 284 
PRO HG2  H N N 285 
PRO HG3  H N N 286 
PRO HD2  H N N 287 
PRO HD3  H N N 288 
PRO HXT  H N N 289 
SER N    N N N 290 
SER CA   C N S 291 
SER C    C N N 292 
SER O    O N N 293 
SER CB   C N N 294 
SER OG   O N N 295 
SER OXT  O N N 296 
SER H    H N N 297 
SER H2   H N N 298 
SER HA   H N N 299 
SER HB2  H N N 300 
SER HB3  H N N 301 
SER HG   H N N 302 
SER HXT  H N N 303 
THR N    N N N 304 
THR CA   C N S 305 
THR C    C N N 306 
THR O    O N N 307 
THR CB   C N R 308 
THR OG1  O N N 309 
THR CG2  C N N 310 
THR OXT  O N N 311 
THR H    H N N 312 
THR H2   H N N 313 
THR HA   H N N 314 
THR HB   H N N 315 
THR HG1  H N N 316 
THR HG21 H N N 317 
THR HG22 H N N 318 
THR HG23 H N N 319 
THR HXT  H N N 320 
TYR N    N N N 321 
TYR CA   C N S 322 
TYR C    C N N 323 
TYR O    O N N 324 
TYR CB   C N N 325 
TYR CG   C Y N 326 
TYR CD1  C Y N 327 
TYR CD2  C Y N 328 
TYR CE1  C Y N 329 
TYR CE2  C Y N 330 
TYR CZ   C Y N 331 
TYR OH   O N N 332 
TYR OXT  O N N 333 
TYR H    H N N 334 
TYR H2   H N N 335 
TYR HA   H N N 336 
TYR HB2  H N N 337 
TYR HB3  H N N 338 
TYR HD1  H N N 339 
TYR HD2  H N N 340 
TYR HE1  H N N 341 
TYR HE2  H N N 342 
TYR HH   H N N 343 
TYR HXT  H N N 344 
VAL N    N N N 345 
VAL CA   C N S 346 
VAL C    C N N 347 
VAL O    O N N 348 
VAL CB   C N N 349 
VAL CG1  C N N 350 
VAL CG2  C N N 351 
VAL OXT  O N N 352 
VAL H    H N N 353 
VAL H2   H N N 354 
VAL HA   H N N 355 
VAL HB   H N N 356 
VAL HG11 H N N 357 
VAL HG12 H N N 358 
VAL HG13 H N N 359 
VAL HG21 H N N 360 
VAL HG22 H N N 361 
VAL HG23 H N N 362 
VAL HXT  H N N 363 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
HIS N   CA   sing N N 129 
HIS N   H    sing N N 130 
HIS N   H2   sing N N 131 
HIS CA  C    sing N N 132 
HIS CA  CB   sing N N 133 
HIS CA  HA   sing N N 134 
HIS C   O    doub N N 135 
HIS C   OXT  sing N N 136 
HIS CB  CG   sing N N 137 
HIS CB  HB2  sing N N 138 
HIS CB  HB3  sing N N 139 
HIS CG  ND1  sing Y N 140 
HIS CG  CD2  doub Y N 141 
HIS ND1 CE1  doub Y N 142 
HIS ND1 HD1  sing N N 143 
HIS CD2 NE2  sing Y N 144 
HIS CD2 HD2  sing N N 145 
HIS CE1 NE2  sing Y N 146 
HIS CE1 HE1  sing N N 147 
HIS NE2 HE2  sing N N 148 
HIS OXT HXT  sing N N 149 
HOH O   H1   sing N N 150 
HOH O   H2   sing N N 151 
ILE N   CA   sing N N 152 
ILE N   H    sing N N 153 
ILE N   H2   sing N N 154 
ILE CA  C    sing N N 155 
ILE CA  CB   sing N N 156 
ILE CA  HA   sing N N 157 
ILE C   O    doub N N 158 
ILE C   OXT  sing N N 159 
ILE CB  CG1  sing N N 160 
ILE CB  CG2  sing N N 161 
ILE CB  HB   sing N N 162 
ILE CG1 CD1  sing N N 163 
ILE CG1 HG12 sing N N 164 
ILE CG1 HG13 sing N N 165 
ILE CG2 HG21 sing N N 166 
ILE CG2 HG22 sing N N 167 
ILE CG2 HG23 sing N N 168 
ILE CD1 HD11 sing N N 169 
ILE CD1 HD12 sing N N 170 
ILE CD1 HD13 sing N N 171 
ILE OXT HXT  sing N N 172 
LEU N   CA   sing N N 173 
LEU N   H    sing N N 174 
LEU N   H2   sing N N 175 
LEU CA  C    sing N N 176 
LEU CA  CB   sing N N 177 
LEU CA  HA   sing N N 178 
LEU C   O    doub N N 179 
LEU C   OXT  sing N N 180 
LEU CB  CG   sing N N 181 
LEU CB  HB2  sing N N 182 
LEU CB  HB3  sing N N 183 
LEU CG  CD1  sing N N 184 
LEU CG  CD2  sing N N 185 
LEU CG  HG   sing N N 186 
LEU CD1 HD11 sing N N 187 
LEU CD1 HD12 sing N N 188 
LEU CD1 HD13 sing N N 189 
LEU CD2 HD21 sing N N 190 
LEU CD2 HD22 sing N N 191 
LEU CD2 HD23 sing N N 192 
LEU OXT HXT  sing N N 193 
LYS N   CA   sing N N 194 
LYS N   H    sing N N 195 
LYS N   H2   sing N N 196 
LYS CA  C    sing N N 197 
LYS CA  CB   sing N N 198 
LYS CA  HA   sing N N 199 
LYS C   O    doub N N 200 
LYS C   OXT  sing N N 201 
LYS CB  CG   sing N N 202 
LYS CB  HB2  sing N N 203 
LYS CB  HB3  sing N N 204 
LYS CG  CD   sing N N 205 
LYS CG  HG2  sing N N 206 
LYS CG  HG3  sing N N 207 
LYS CD  CE   sing N N 208 
LYS CD  HD2  sing N N 209 
LYS CD  HD3  sing N N 210 
LYS CE  NZ   sing N N 211 
LYS CE  HE2  sing N N 212 
LYS CE  HE3  sing N N 213 
LYS NZ  HZ1  sing N N 214 
LYS NZ  HZ2  sing N N 215 
LYS NZ  HZ3  sing N N 216 
LYS OXT HXT  sing N N 217 
MET N   CA   sing N N 218 
MET N   H    sing N N 219 
MET N   H2   sing N N 220 
MET CA  C    sing N N 221 
MET CA  CB   sing N N 222 
MET CA  HA   sing N N 223 
MET C   O    doub N N 224 
MET C   OXT  sing N N 225 
MET CB  CG   sing N N 226 
MET CB  HB2  sing N N 227 
MET CB  HB3  sing N N 228 
MET CG  SD   sing N N 229 
MET CG  HG2  sing N N 230 
MET CG  HG3  sing N N 231 
MET SD  CE   sing N N 232 
MET CE  HE1  sing N N 233 
MET CE  HE2  sing N N 234 
MET CE  HE3  sing N N 235 
MET OXT HXT  sing N N 236 
PHE N   CA   sing N N 237 
PHE N   H    sing N N 238 
PHE N   H2   sing N N 239 
PHE CA  C    sing N N 240 
PHE CA  CB   sing N N 241 
PHE CA  HA   sing N N 242 
PHE C   O    doub N N 243 
PHE C   OXT  sing N N 244 
PHE CB  CG   sing N N 245 
PHE CB  HB2  sing N N 246 
PHE CB  HB3  sing N N 247 
PHE CG  CD1  doub Y N 248 
PHE CG  CD2  sing Y N 249 
PHE CD1 CE1  sing Y N 250 
PHE CD1 HD1  sing N N 251 
PHE CD2 CE2  doub Y N 252 
PHE CD2 HD2  sing N N 253 
PHE CE1 CZ   doub Y N 254 
PHE CE1 HE1  sing N N 255 
PHE CE2 CZ   sing Y N 256 
PHE CE2 HE2  sing N N 257 
PHE CZ  HZ   sing N N 258 
PHE OXT HXT  sing N N 259 
PRO N   CA   sing N N 260 
PRO N   CD   sing N N 261 
PRO N   H    sing N N 262 
PRO CA  C    sing N N 263 
PRO CA  CB   sing N N 264 
PRO CA  HA   sing N N 265 
PRO C   O    doub N N 266 
PRO C   OXT  sing N N 267 
PRO CB  CG   sing N N 268 
PRO CB  HB2  sing N N 269 
PRO CB  HB3  sing N N 270 
PRO CG  CD   sing N N 271 
PRO CG  HG2  sing N N 272 
PRO CG  HG3  sing N N 273 
PRO CD  HD2  sing N N 274 
PRO CD  HD3  sing N N 275 
PRO OXT HXT  sing N N 276 
SER N   CA   sing N N 277 
SER N   H    sing N N 278 
SER N   H2   sing N N 279 
SER CA  C    sing N N 280 
SER CA  CB   sing N N 281 
SER CA  HA   sing N N 282 
SER C   O    doub N N 283 
SER C   OXT  sing N N 284 
SER CB  OG   sing N N 285 
SER CB  HB2  sing N N 286 
SER CB  HB3  sing N N 287 
SER OG  HG   sing N N 288 
SER OXT HXT  sing N N 289 
THR N   CA   sing N N 290 
THR N   H    sing N N 291 
THR N   H2   sing N N 292 
THR CA  C    sing N N 293 
THR CA  CB   sing N N 294 
THR CA  HA   sing N N 295 
THR C   O    doub N N 296 
THR C   OXT  sing N N 297 
THR CB  OG1  sing N N 298 
THR CB  CG2  sing N N 299 
THR CB  HB   sing N N 300 
THR OG1 HG1  sing N N 301 
THR CG2 HG21 sing N N 302 
THR CG2 HG22 sing N N 303 
THR CG2 HG23 sing N N 304 
THR OXT HXT  sing N N 305 
TYR N   CA   sing N N 306 
TYR N   H    sing N N 307 
TYR N   H2   sing N N 308 
TYR CA  C    sing N N 309 
TYR CA  CB   sing N N 310 
TYR CA  HA   sing N N 311 
TYR C   O    doub N N 312 
TYR C   OXT  sing N N 313 
TYR CB  CG   sing N N 314 
TYR CB  HB2  sing N N 315 
TYR CB  HB3  sing N N 316 
TYR CG  CD1  doub Y N 317 
TYR CG  CD2  sing Y N 318 
TYR CD1 CE1  sing Y N 319 
TYR CD1 HD1  sing N N 320 
TYR CD2 CE2  doub Y N 321 
TYR CD2 HD2  sing N N 322 
TYR CE1 CZ   doub Y N 323 
TYR CE1 HE1  sing N N 324 
TYR CE2 CZ   sing Y N 325 
TYR CE2 HE2  sing N N 326 
TYR CZ  OH   sing N N 327 
TYR OH  HH   sing N N 328 
TYR OXT HXT  sing N N 329 
VAL N   CA   sing N N 330 
VAL N   H    sing N N 331 
VAL N   H2   sing N N 332 
VAL CA  C    sing N N 333 
VAL CA  CB   sing N N 334 
VAL CA  HA   sing N N 335 
VAL C   O    doub N N 336 
VAL C   OXT  sing N N 337 
VAL CB  CG1  sing N N 338 
VAL CB  CG2  sing N N 339 
VAL CB  HB   sing N N 340 
VAL CG1 HG11 sing N N 341 
VAL CG1 HG12 sing N N 342 
VAL CG1 HG13 sing N N 343 
VAL CG2 HG21 sing N N 344 
VAL CG2 HG22 sing N N 345 
VAL CG2 HG23 sing N N 346 
VAL OXT HXT  sing N N 347 
# 
_pdbx_audit_support.funding_organization   'National Natural Science Foundation of China (NSFC)' 
_pdbx_audit_support.country                China 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_atom_sites.entry_id                    8XPI 
_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]   0.017002 
_atom_sites.fract_transf_matrix[1][2]   0.009816 
_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]   0.019633 
_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]   0.019226 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
C 
N 
O 
S 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1   N N   . MET A 1 1  ? -18.313 11.451 -13.236 1.00 60.78 ? 1   MET A N   1 
ATOM   2   C CA  . MET A 1 1  ? -18.472 11.090 -11.831 1.00 57.79 ? 1   MET A CA  1 
ATOM   3   C C   . MET A 1 1  ? -17.121 11.064 -11.101 1.00 51.33 ? 1   MET A C   1 
ATOM   4   O O   . MET A 1 1  ? -16.136 11.623 -11.590 1.00 50.26 ? 1   MET A O   1 
ATOM   5   C CB  . MET A 1 1  ? -19.194 9.735  -11.703 1.00 63.28 ? 1   MET A CB  1 
ATOM   6   C CG  . MET A 1 1  ? -18.448 8.532  -12.274 1.00 60.27 ? 1   MET A CG  1 
ATOM   7   S SD  . MET A 1 1  ? -18.103 8.689  -14.040 1.00 72.88 ? 1   MET A SD  1 
ATOM   8   C CE  . MET A 1 1  ? -17.490 7.046  -14.408 1.00 62.42 ? 1   MET A CE  1 
ATOM   9   N N   . LEU A 1 2  ? -17.086 10.414 -9.935  1.00 46.60 ? 2   LEU A N   1 
ATOM   10  C CA  . LEU A 1 2  ? -15.957 10.503 -9.014  1.00 40.81 ? 2   LEU A CA  1 
ATOM   11  C C   . LEU A 1 2  ? -14.924 9.410  -9.208  1.00 39.80 ? 2   LEU A C   1 
ATOM   12  O O   . LEU A 1 2  ? -13.728 9.655  -8.991  1.00 36.94 ? 2   LEU A O   1 
ATOM   13  C CB  . LEU A 1 2  ? -16.453 10.441 -7.571  1.00 42.51 ? 2   LEU A CB  1 
ATOM   14  C CG  . LEU A 1 2  ? -16.339 11.697 -6.731  1.00 41.54 ? 2   LEU A CG  1 
ATOM   15  C CD1 . LEU A 1 2  ? -17.310 12.719 -7.224  1.00 44.89 ? 2   LEU A CD1 1 
ATOM   16  C CD2 . LEU A 1 2  ? -16.668 11.335 -5.308  1.00 41.65 ? 2   LEU A CD2 1 
ATOM   17  N N   . PHE A 1 3  ? -15.353 8.207  -9.590  1.00 39.35 ? 3   PHE A N   1 
ATOM   18  C CA  . PHE A 1 3  ? -14.443 7.102  -9.825  1.00 39.95 ? 3   PHE A CA  1 
ATOM   19  C C   . PHE A 1 3  ? -14.703 6.507  -11.202 1.00 46.91 ? 3   PHE A C   1 
ATOM   20  O O   . PHE A 1 3  ? -15.769 6.698  -11.793 1.00 48.54 ? 3   PHE A O   1 
ATOM   21  C CB  . PHE A 1 3  ? -14.553 6.025  -8.737  1.00 41.48 ? 3   PHE A CB  1 
ATOM   22  C CG  . PHE A 1 3  ? -14.151 6.507  -7.361  1.00 41.40 ? 3   PHE A CG  1 
ATOM   23  C CD1 . PHE A 1 3  ? -15.031 7.217  -6.563  1.00 39.30 ? 3   PHE A CD1 1 
ATOM   24  C CD2 . PHE A 1 3  ? -12.866 6.287  -6.896  1.00 42.94 ? 3   PHE A CD2 1 
ATOM   25  C CE1 . PHE A 1 3  ? -14.640 7.657  -5.305  1.00 34.91 ? 3   PHE A CE1 1 
ATOM   26  C CE2 . PHE A 1 3  ? -12.473 6.725  -5.640  1.00 36.84 ? 3   PHE A CE2 1 
ATOM   27  C CZ  . PHE A 1 3  ? -13.359 7.406  -4.852  1.00 33.23 ? 3   PHE A CZ  1 
ATOM   28  N N   . GLU A 1 4  ? -13.673 5.826  -11.726 1.00 46.61 ? 4   GLU A N   1 
ATOM   29  C CA  . GLU A 1 4  ? -13.745 5.050  -12.972 1.00 55.06 ? 4   GLU A CA  1 
ATOM   30  C C   . GLU A 1 4  ? -13.122 3.699  -12.651 1.00 53.66 ? 4   GLU A C   1 
ATOM   31  O O   . GLU A 1 4  ? -11.979 3.429  -13.028 1.00 57.76 ? 4   GLU A O   1 
ATOM   32  C CB  . GLU A 1 4  ? -13.025 5.751  -14.112 1.00 52.30 ? 4   GLU A CB  1 
ATOM   33  C CG  . GLU A 1 4  ? -13.920 6.707  -14.865 1.00 59.16 ? 4   GLU A CG  1 
ATOM   34  C CD  . GLU A 1 4  ? -13.656 6.715  -16.353 1.00 69.02 ? 4   GLU A CD  1 
ATOM   35  O OE1 . GLU A 1 4  ? -12.485 6.950  -16.746 1.00 66.87 ? 4   GLU A OE1 1 
ATOM   36  O OE2 . GLU A 1 4  ? -14.630 6.487  -17.117 1.00 65.92 ? 4   GLU A OE2 1 
ATOM   37  N N   . GLY A 1 5  ? -13.873 2.865  -11.940 1.00 55.72 ? 5   GLY A N   1 
ATOM   38  C CA  . GLY A 1 5  ? -13.311 1.662  -11.347 1.00 59.48 ? 5   GLY A CA  1 
ATOM   39  C C   . GLY A 1 5  ? -12.696 1.969  -9.998  1.00 58.50 ? 5   GLY A C   1 
ATOM   40  O O   . GLY A 1 5  ? -13.345 2.556  -9.136  1.00 58.67 ? 5   GLY A O   1 
ATOM   41  N N   . ASP A 1 6  ? -11.439 1.580  -9.819  1.00 65.05 ? 6   ASP A N   1 
ATOM   42  C CA  . ASP A 1 6  ? -10.697 1.861  -8.595  1.00 64.37 ? 6   ASP A CA  1 
ATOM   43  C C   . ASP A 1 6  ? -9.978  3.203  -8.634  1.00 61.46 ? 6   ASP A C   1 
ATOM   44  O O   . ASP A 1 6  ? -9.215  3.513  -7.709  1.00 65.09 ? 6   ASP A O   1 
ATOM   45  C CB  . ASP A 1 6  ? -9.659  0.760  -8.320  1.00 70.72 ? 6   ASP A CB  1 
ATOM   46  C CG  . ASP A 1 6  ? -10.288 -0.571 -7.922  1.00 77.56 ? 6   ASP A CG  1 
ATOM   47  O OD1 . ASP A 1 6  ? -11.500 -0.613 -7.588  1.00 79.18 ? 6   ASP A OD1 1 
ATOM   48  O OD2 . ASP A 1 6  ? -9.553  -1.584 -7.936  1.00 83.05 ? 6   ASP A OD2 1 
ATOM   49  N N   . LYS A 1 7  ? -10.182 3.999  -9.681  1.00 56.62 ? 7   LYS A N   1 
ATOM   50  C CA  . LYS A 1 7  ? -9.380  5.194  -9.918  1.00 52.37 ? 7   LYS A CA  1 
ATOM   51  C C   . LYS A 1 7  ? -10.209 6.452  -9.676  1.00 45.61 ? 7   LYS A C   1 
ATOM   52  O O   . LYS A 1 7  ? -11.297 6.606  -10.250 1.00 43.18 ? 7   LYS A O   1 
ATOM   53  C CB  . LYS A 1 7  ? -8.826  5.201  -11.345 1.00 51.06 ? 7   LYS A CB  1 
ATOM   54  C CG  . LYS A 1 7  ? -8.033  6.431  -11.690 1.00 51.02 ? 7   LYS A CG  1 
ATOM   55  C CD  . LYS A 1 7  ? -7.653  6.457  -13.170 1.00 56.45 ? 7   LYS A CD  1 
ATOM   56  C CE  . LYS A 1 7  ? -6.685  7.597  -13.435 1.00 63.25 ? 7   LYS A CE  1 
ATOM   57  N NZ  . LYS A 1 7  ? -6.039  8.059  -12.164 1.00 62.63 ? 7   LYS A NZ  1 
ATOM   58  N N   . PHE A 1 8  ? -9.677  7.357  -8.852  1.00 44.73 ? 8   PHE A N   1 
ATOM   59  C CA  . PHE A 1 8  ? -10.317 8.645  -8.611  1.00 40.19 ? 8   PHE A CA  1 
ATOM   60  C C   . PHE A 1 8  ? -10.127 9.558  -9.812  1.00 39.76 ? 8   PHE A C   1 
ATOM   61  O O   . PHE A 1 8  ? -8.992  9.871  -10.191 1.00 41.65 ? 8   PHE A O   1 
ATOM   62  C CB  . PHE A 1 8  ? -9.741  9.302  -7.360  1.00 37.40 ? 8   PHE A CB  1 
ATOM   63  C CG  . PHE A 1 8  ? -10.358 10.635 -7.059  1.00 31.44 ? 8   PHE A CG  1 
ATOM   64  C CD1 . PHE A 1 8  ? -11.528 10.725 -6.323  1.00 35.72 ? 8   PHE A CD1 1 
ATOM   65  C CD2 . PHE A 1 8  ? -9.798  11.790 -7.547  1.00 31.53 ? 8   PHE A CD2 1 
ATOM   66  C CE1 . PHE A 1 8  ? -12.107 11.962 -6.058  1.00 31.91 ? 8   PHE A CE1 1 
ATOM   67  C CE2 . PHE A 1 8  ? -10.375 13.008 -7.310  1.00 32.70 ? 8   PHE A CE2 1 
ATOM   68  C CZ  . PHE A 1 8  ? -11.524 13.103 -6.558  1.00 29.45 ? 8   PHE A CZ  1 
ATOM   69  N N   . VAL A 1 9  ? -11.231 10.023 -10.397 1.00 35.53 ? 9   VAL A N   1 
ATOM   70  C CA  . VAL A 1 9  ? -11.172 10.880 -11.569 1.00 36.57 ? 9   VAL A CA  1 
ATOM   71  C C   . VAL A 1 9  ? -11.892 12.203 -11.364 1.00 38.00 ? 9   VAL A C   1 
ATOM   72  O O   . VAL A 1 9  ? -11.990 12.993 -12.305 1.00 37.13 ? 9   VAL A O   1 
ATOM   73  C CB  . VAL A 1 9  ? -11.723 10.159 -12.823 1.00 40.16 ? 9   VAL A CB  1 
ATOM   74  C CG1 . VAL A 1 9  ? -10.970 8.861  -13.065 1.00 43.07 ? 9   VAL A CG1 1 
ATOM   75  C CG2 . VAL A 1 9  ? -13.216 9.889  -12.706 1.00 40.49 ? 9   VAL A CG2 1 
ATOM   76  N N   . GLY A 1 10 ? -12.372 12.492 -10.150 1.00 35.86 ? 10  GLY A N   1 
ATOM   77  C CA  . GLY A 1 10 ? -13.288 13.610 -9.963  1.00 37.54 ? 10  GLY A CA  1 
ATOM   78  C C   . GLY A 1 10 ? -12.594 14.956 -10.017 1.00 32.30 ? 10  GLY A C   1 
ATOM   79  O O   . GLY A 1 10 ? -11.422 15.088 -9.680  1.00 34.20 ? 10  GLY A O   1 
ATOM   80  N N   . SER A 1 11 ? -13.340 15.977 -10.429 1.00 30.24 ? 11  SER A N   1 
ATOM   81  C CA  . SER A 1 11 ? -12.823 17.335 -10.388 1.00 32.92 ? 11  SER A CA  1 
ATOM   82  C C   . SER A 1 11 ? -13.091 17.933 -9.010  1.00 33.17 ? 11  SER A C   1 
ATOM   83  O O   . SER A 1 11 ? -13.853 17.379 -8.220  1.00 32.12 ? 11  SER A O   1 
ATOM   84  C CB  . SER A 1 11 ? -13.462 18.184 -11.486 1.00 35.97 ? 11  SER A CB  1 
ATOM   85  O OG  . SER A 1 11 ? -14.849 18.356 -11.231 1.00 42.09 ? 11  SER A OG  1 
ATOM   86  N N   . PHE A 1 12 ? -12.426 19.058 -8.708  1.00 28.21 ? 12  PHE A N   1 
ATOM   87  C CA  . PHE A 1 12 ? -12.618 19.709 -7.416  1.00 28.24 ? 12  PHE A CA  1 
ATOM   88  C C   . PHE A 1 12 ? -14.088 20.009 -7.155  1.00 30.44 ? 12  PHE A C   1 
ATOM   89  O O   . PHE A 1 12 ? -14.619 19.737 -6.069  1.00 27.74 ? 12  PHE A O   1 
ATOM   90  C CB  . PHE A 1 12 ? -11.814 21.003 -7.342  1.00 29.22 ? 12  PHE A CB  1 
ATOM   91  C CG  . PHE A 1 12 ? -11.974 21.709 -6.049  1.00 29.45 ? 12  PHE A CG  1 
ATOM   92  C CD1 . PHE A 1 12 ? -13.031 22.576 -5.858  1.00 31.16 ? 12  PHE A CD1 1 
ATOM   93  C CD2 . PHE A 1 12 ? -11.080 21.499 -5.003  1.00 28.76 ? 12  PHE A CD2 1 
ATOM   94  C CE1 . PHE A 1 12 ? -13.206 23.243 -4.648  1.00 32.80 ? 12  PHE A CE1 1 
ATOM   95  C CE2 . PHE A 1 12 ? -11.249 22.157 -3.790  1.00 30.51 ? 12  PHE A CE2 1 
ATOM   96  C CZ  . PHE A 1 12 ? -12.329 23.021 -3.611  1.00 30.12 ? 12  PHE A CZ  1 
ATOM   97  N N   . GLU A 1 13 ? -14.762 20.599 -8.124  1.00 32.22 ? 13  GLU A N   1 
ATOM   98  C CA  . GLU A 1 13 ? -16.123 21.032 -7.843  1.00 35.62 ? 13  GLU A CA  1 
ATOM   99  C C   . GLU A 1 13 ? -17.059 19.840 -7.670  1.00 34.31 ? 13  GLU A C   1 
ATOM   100 O O   . GLU A 1 13 ? -17.918 19.858 -6.784  1.00 35.52 ? 13  GLU A O   1 
ATOM   101 C CB  . GLU A 1 13 ? -16.547 22.044 -8.921  1.00 40.11 ? 13  GLU A CB  1 
ATOM   102 C CG  . GLU A 1 13 ? -16.210 23.462 -8.427  1.00 43.21 ? 13  GLU A CG  1 
ATOM   103 C CD  . GLU A 1 13 ? -16.309 24.588 -9.457  1.00 49.95 ? 13  GLU A CD  1 
ATOM   104 O OE1 . GLU A 1 13 ? -17.067 24.449 -10.443 1.00 49.34 ? 13  GLU A OE1 1 
ATOM   105 O OE2 . GLU A 1 13 ? -15.662 25.644 -9.221  1.00 47.62 ? 13  GLU A OE2 1 
ATOM   106 N N   . ASN A 1 14 ? -16.837 18.751 -8.401  1.00 32.49 ? 14  ASN A N   1 
ATOM   107 C CA  . ASN A 1 14 ? -17.654 17.560 -8.188  1.00 34.13 ? 14  ASN A CA  1 
ATOM   108 C C   . ASN A 1 14 ? -17.280 16.819 -6.914  1.00 35.96 ? 14  ASN A C   1 
ATOM   109 O O   . ASN A 1 14 ? -18.163 16.354 -6.185  1.00 37.51 ? 14  ASN A O   1 
ATOM   110 C CB  . ASN A 1 14 ? -17.528 16.636 -9.392  1.00 38.74 ? 14  ASN A CB  1 
ATOM   111 C CG  . ASN A 1 14 ? -18.534 16.954 -10.445 1.00 45.30 ? 14  ASN A CG  1 
ATOM   112 O OD1 . ASN A 1 14 ? -19.300 17.912 -10.309 1.00 49.67 ? 14  ASN A OD1 1 
ATOM   113 N ND2 . ASN A 1 14 ? -18.522 16.196 -11.525 1.00 50.77 ? 14  ASN A ND2 1 
ATOM   114 N N   . ALA A 1 15 ? -15.985 16.692 -6.630  1.00 28.85 ? 15  ALA A N   1 
ATOM   115 C CA  . ALA A 1 15 ? -15.551 15.887 -5.502  1.00 29.13 ? 15  ALA A CA  1 
ATOM   116 C C   . ALA A 1 15 ? -15.879 16.531 -4.167  1.00 26.09 ? 15  ALA A C   1 
ATOM   117 O O   . ALA A 1 15 ? -15.983 15.829 -3.161  1.00 27.96 ? 15  ALA A O   1 
ATOM   118 C CB  . ALA A 1 15 ? -14.051 15.618 -5.598  1.00 31.19 ? 15  ALA A CB  1 
ATOM   119 N N   . ALA A 1 16 ? -16.022 17.857 -4.116  1.00 27.48 ? 16  ALA A N   1 
ATOM   120 C CA  . ALA A 1 16 ? -16.213 18.497 -2.824  1.00 28.43 ? 16  ALA A CA  1 
ATOM   121 C C   . ALA A 1 16 ? -17.517 18.073 -2.173  1.00 28.33 ? 16  ALA A C   1 
ATOM   122 O O   . ALA A 1 16 ? -17.628 18.128 -0.950  1.00 29.56 ? 16  ALA A O   1 
ATOM   123 C CB  . ALA A 1 16 ? -16.149 20.023 -2.972  1.00 29.07 ? 16  ALA A CB  1 
ATOM   124 N N   . ALA A 1 17 ? -18.484 17.624 -2.961  1.00 29.48 ? 17  ALA A N   1 
ATOM   125 C CA  . ALA A 1 17 ? -19.739 17.130 -2.434  1.00 32.18 ? 17  ALA A CA  1 
ATOM   126 C C   . ALA A 1 17 ? -19.726 15.631 -2.190  1.00 36.46 ? 17  ALA A C   1 
ATOM   127 O O   . ALA A 1 17 ? -20.717 15.103 -1.682  1.00 38.35 ? 17  ALA A O   1 
ATOM   128 C CB  . ALA A 1 17 ? -20.877 17.490 -3.385  1.00 32.94 ? 17  ALA A CB  1 
ATOM   129 N N   . GLY A 1 18 ? -18.625 14.939 -2.499  1.00 33.77 ? 18  GLY A N   1 
ATOM   130 C CA  . GLY A 1 18 ? -18.548 13.504 -2.362  1.00 31.93 ? 18  GLY A CA  1 
ATOM   131 C C   . GLY A 1 18 ? -17.603 13.029 -1.268  1.00 30.31 ? 18  GLY A C   1 
ATOM   132 O O   . GLY A 1 18 ? -17.040 13.807 -0.495  1.00 29.48 ? 18  GLY A O   1 
ATOM   133 N N   . THR A 1 19 ? -17.419 11.709 -1.237  1.00 28.95 ? 19  THR A N   1 
ATOM   134 C CA  . THR A 1 19 ? -16.579 11.011 -0.269  1.00 29.15 ? 19  THR A CA  1 
ATOM   135 C C   . THR A 1 19 ? -15.471 10.271 -0.994  1.00 27.78 ? 19  THR A C   1 
ATOM   136 O O   . THR A 1 19 ? -15.748 9.454  -1.884  1.00 30.76 ? 19  THR A O   1 
ATOM   137 C CB  . THR A 1 19 ? -17.396 9.977  0.530   1.00 34.27 ? 19  THR A CB  1 
ATOM   138 O OG1 . THR A 1 19 ? -18.326 10.651 1.370   1.00 34.50 ? 19  THR A OG1 1 
ATOM   139 C CG2 . THR A 1 19 ? -16.475 9.142  1.372   1.00 30.96 ? 19  THR A CG2 1 
ATOM   140 N N   . PHE A 1 20 ? -14.230 10.502 -0.580  1.00 25.01 ? 20  PHE A N   1 
ATOM   141 C CA  . PHE A 1 20 ? -13.105 9.787  -1.165  1.00 28.11 ? 20  PHE A CA  1 
ATOM   142 C C   . PHE A 1 20 ? -11.903 9.910  -0.233  1.00 27.13 ? 20  PHE A C   1 
ATOM   143 O O   . PHE A 1 20 ? -11.828 10.807 0.609   1.00 27.27 ? 20  PHE A O   1 
ATOM   144 C CB  . PHE A 1 20 ? -12.755 10.335 -2.565  1.00 29.56 ? 20  PHE A CB  1 
ATOM   145 C CG  . PHE A 1 20 ? -12.375 11.784 -2.547  1.00 28.20 ? 20  PHE A CG  1 
ATOM   146 C CD1 . PHE A 1 20 ? -13.359 12.750 -2.607  1.00 27.63 ? 20  PHE A CD1 1 
ATOM   147 C CD2 . PHE A 1 20 ? -11.054 12.168 -2.397  1.00 27.95 ? 20  PHE A CD2 1 
ATOM   148 C CE1 . PHE A 1 20 ? -13.028 14.078 -2.535  1.00 26.99 ? 20  PHE A CE1 1 
ATOM   149 C CE2 . PHE A 1 20 ? -10.722 13.484 -2.332  1.00 28.65 ? 20  PHE A CE2 1 
ATOM   150 C CZ  . PHE A 1 20 ? -11.718 14.440 -2.391  1.00 27.34 ? 20  PHE A CZ  1 
ATOM   151 N N   . VAL A 1 21 ? -10.953 8.999  -0.400  1.00 25.75 ? 21  VAL A N   1 
ATOM   152 C CA  . VAL A 1 21 ? -9.691  9.085  0.321   1.00 26.78 ? 21  VAL A CA  1 
ATOM   153 C C   . VAL A 1 21 ? -8.790  10.086 -0.405  1.00 26.85 ? 21  VAL A C   1 
ATOM   154 O O   . VAL A 1 21 ? -8.494  9.918  -1.596  1.00 27.81 ? 21  VAL A O   1 
ATOM   155 C CB  . VAL A 1 21 ? -9.013  7.714  0.423   1.00 31.02 ? 21  VAL A CB  1 
ATOM   156 C CG1 . VAL A 1 21 ? -7.648  7.869  1.077   1.00 29.69 ? 21  VAL A CG1 1 
ATOM   157 C CG2 . VAL A 1 21 ? -9.891  6.721  1.186   1.00 29.35 ? 21  VAL A CG2 1 
ATOM   158 N N   . LEU A 1 22 ? -8.366  11.126 0.306   1.00 23.00 ? 22  LEU A N   1 
ATOM   159 C CA  . LEU A 1 22 ? -7.408  12.101 -0.210  1.00 26.32 ? 22  LEU A CA  1 
ATOM   160 C C   . LEU A 1 22 ? -6.000  11.543 -0.009  1.00 28.24 ? 22  LEU A C   1 
ATOM   161 O O   . LEU A 1 22 ? -5.431  11.660 1.073   1.00 31.92 ? 22  LEU A O   1 
ATOM   162 C CB  . LEU A 1 22 ? -7.581  13.438 0.493   1.00 25.26 ? 22  LEU A CB  1 
ATOM   163 C CG  . LEU A 1 22 ? -6.692  14.597 0.009   1.00 28.62 ? 22  LEU A CG  1 
ATOM   164 C CD1 . LEU A 1 22 ? -6.801  14.769 -1.493  1.00 28.53 ? 22  LEU A CD1 1 
ATOM   165 C CD2 . LEU A 1 22 ? -6.987  15.915 0.736   1.00 30.79 ? 22  LEU A CD2 1 
ATOM   166 N N   . ASP A 1 23 ? -5.449  10.917 -1.046  1.00 27.54 ? 23  ASP A N   1 
ATOM   167 C CA  . ASP A 1 23 ? -4.055  10.487 -1.105  1.00 29.38 ? 23  ASP A CA  1 
ATOM   168 C C   . ASP A 1 23 ? -3.370  11.282 -2.207  1.00 30.96 ? 23  ASP A C   1 
ATOM   169 O O   . ASP A 1 23 ? -3.977  12.172 -2.810  1.00 27.43 ? 23  ASP A O   1 
ATOM   170 C CB  . ASP A 1 23 ? -3.969  8.974  -1.333  1.00 31.36 ? 23  ASP A CB  1 
ATOM   171 C CG  . ASP A 1 23 ? -4.681  8.509  -2.610  1.00 38.37 ? 23  ASP A CG  1 
ATOM   172 O OD1 . ASP A 1 23 ? -4.851  9.288  -3.584  1.00 31.70 ? 23  ASP A OD1 1 
ATOM   173 O OD2 . ASP A 1 23 ? -5.128  7.337  -2.621  1.00 44.16 ? 23  ASP A OD2 1 
ATOM   174 N N   . MET A 1 24 ? -2.111  10.952 -2.516  1.00 30.39 ? 24  MET A N   1 
ATOM   175 C CA  . MET A 1 24 ? -1.418  11.852 -3.442  1.00 29.45 ? 24  MET A CA  1 
ATOM   176 C C   . MET A 1 24 ? -2.014  11.825 -4.853  1.00 27.40 ? 24  MET A C   1 
ATOM   177 O O   . MET A 1 24 ? -1.897  12.820 -5.585  1.00 28.30 ? 24  MET A O   1 
ATOM   178 C CB  . MET A 1 24 ? 0.087   11.566 -3.581  1.00 32.34 ? 24  MET A CB  1 
ATOM   179 C CG  . MET A 1 24 ? 0.460   10.181 -4.010  1.00 32.64 ? 24  MET A CG  1 
ATOM   180 S SD  . MET A 1 24 ? 2.245   9.910  -3.764  1.00 36.19 ? 24  MET A SD  1 
ATOM   181 C CE  . MET A 1 24 ? 2.431   8.321  -4.554  1.00 41.12 ? 24  MET A CE  1 
ATOM   182 N N   . TYR A 1 25 ? -2.575  10.686 -5.285  1.00 28.02 ? 25  TYR A N   1 
ATOM   183 C CA  . TYR A 1 25 ? -3.145  10.608 -6.628  1.00 31.00 ? 25  TYR A CA  1 
ATOM   184 C C   . TYR A 1 25 ? -4.453  11.390 -6.728  1.00 27.36 ? 25  TYR A C   1 
ATOM   185 O O   . TYR A 1 25 ? -4.700  12.095 -7.719  1.00 25.81 ? 25  TYR A O   1 
ATOM   186 C CB  . TYR A 1 25 ? -3.336  9.143  -7.049  1.00 35.78 ? 25  TYR A CB  1 
ATOM   187 C CG  . TYR A 1 25 ? -2.044  8.343  -6.993  1.00 37.31 ? 25  TYR A CG  1 
ATOM   188 C CD1 . TYR A 1 25 ? -1.115  8.448  -8.024  1.00 40.18 ? 25  TYR A CD1 1 
ATOM   189 C CD2 . TYR A 1 25 ? -1.760  7.491  -5.936  1.00 40.83 ? 25  TYR A CD2 1 
ATOM   190 C CE1 . TYR A 1 25 ? 0.086   7.735  -8.003  1.00 40.32 ? 25  TYR A CE1 1 
ATOM   191 C CE2 . TYR A 1 25 ? -0.568  6.766  -5.907  1.00 44.50 ? 25  TYR A CE2 1 
ATOM   192 C CZ  . TYR A 1 25 ? 0.348   6.907  -6.947  1.00 45.13 ? 25  TYR A CZ  1 
ATOM   193 O OH  . TYR A 1 25 ? 1.521   6.199  -6.909  1.00 53.48 ? 25  TYR A OH  1 
ATOM   194 N N   . ALA A 1 26 ? -5.295  11.300 -5.706  1.00 26.18 ? 26  ALA A N   1 
ATOM   195 C CA  . ALA A 1 26 ? -6.478  12.151 -5.685  1.00 26.27 ? 26  ALA A CA  1 
ATOM   196 C C   . ALA A 1 26 ? -6.085  13.613 -5.673  1.00 23.97 ? 26  ALA A C   1 
ATOM   197 O O   . ALA A 1 26 ? -6.692  14.428 -6.372  1.00 24.48 ? 26  ALA A O   1 
ATOM   198 C CB  . ALA A 1 26 ? -7.344  11.833 -4.475  1.00 29.95 ? 26  ALA A CB  1 
ATOM   199 N N   . TYR A 1 27 ? -5.082  13.967 -4.873  1.00 25.25 ? 27  TYR A N   1 
ATOM   200 C CA  . TYR A 1 27 ? -4.649  15.359 -4.772  1.00 24.53 ? 27  TYR A CA  1 
ATOM   201 C C   . TYR A 1 27 ? -4.199  15.872 -6.123  1.00 25.74 ? 27  TYR A C   1 
ATOM   202 O O   . TYR A 1 27 ? -4.578  16.978 -6.542  1.00 26.18 ? 27  TYR A O   1 
ATOM   203 C CB  . TYR A 1 27 ? -3.513  15.504 -3.758  1.00 26.62 ? 27  TYR A CB  1 
ATOM   204 C CG  . TYR A 1 27 ? -3.178  16.952 -3.468  1.00 28.77 ? 27  TYR A CG  1 
ATOM   205 C CD1 . TYR A 1 27 ? -2.385  17.691 -4.330  1.00 27.98 ? 27  TYR A CD1 1 
ATOM   206 C CD2 . TYR A 1 27 ? -3.675  17.583 -2.349  1.00 30.41 ? 27  TYR A CD2 1 
ATOM   207 C CE1 . TYR A 1 27 ? -2.102  19.034 -4.086  1.00 29.82 ? 27  TYR A CE1 1 
ATOM   208 C CE2 . TYR A 1 27 ? -3.388  18.919 -2.092  1.00 29.83 ? 27  TYR A CE2 1 
ATOM   209 C CZ  . TYR A 1 27 ? -2.605  19.632 -2.972  1.00 28.70 ? 27  TYR A CZ  1 
ATOM   210 O OH  . TYR A 1 27 ? -2.335  20.962 -2.736  1.00 30.12 ? 27  TYR A OH  1 
ATOM   211 N N   . GLU A 1 28 ? -3.390  15.073 -6.829  1.00 23.93 ? 28  GLU A N   1 
ATOM   212 C CA  . GLU A 1 28 ? -2.906  15.471 -8.143  1.00 25.22 ? 28  GLU A CA  1 
ATOM   213 C C   . GLU A 1 28 ? -4.079  15.765 -9.078  1.00 28.23 ? 28  GLU A C   1 
ATOM   214 O O   . GLU A 1 28 ? -4.099  16.787 -9.787  1.00 27.14 ? 28  GLU A O   1 
ATOM   215 C CB  . GLU A 1 28 ? -2.002  14.363 -8.716  1.00 26.49 ? 28  GLU A CB  1 
ATOM   216 C CG  . GLU A 1 28 ? -1.882  14.392 -10.238 1.00 29.56 ? 28  GLU A CG  1 
ATOM   217 C CD  . GLU A 1 28 ? -0.999  13.278 -10.812 1.00 32.03 ? 28  GLU A CD  1 
ATOM   218 O OE1 . GLU A 1 28 ? 0.245   13.319 -10.712 1.00 36.47 ? 28  GLU A OE1 1 
ATOM   219 O OE2 . GLU A 1 28 ? -1.576  12.318 -11.329 1.00 37.09 ? 28  GLU A OE2 1 
ATOM   220 N N   . ARG A 1 29 ? -5.096  14.911 -9.048  1.00 25.09 ? 29  ARG A N   1 
ATOM   221 C CA  . ARG A 1 29 ? -6.240  15.101 -9.925  1.00 27.15 ? 29  ARG A CA  1 
ATOM   222 C C   . ARG A 1 29 ? -7.045  16.333 -9.530  1.00 28.13 ? 29  ARG A C   1 
ATOM   223 O O   . ARG A 1 29 ? -7.403  17.143 -10.391 1.00 28.47 ? 29  ARG A O   1 
ATOM   224 C CB  . ARG A 1 29 ? -7.075  13.809 -9.952  1.00 28.81 ? 29  ARG A CB  1 
ATOM   225 C CG  . ARG A 1 29 ? -8.513  13.940 -10.367 1.00 36.31 ? 29  ARG A CG  1 
ATOM   226 C CD  . ARG A 1 29 ? -8.668  13.628 -11.857 1.00 39.72 ? 29  ARG A CD  1 
ATOM   227 N NE  . ARG A 1 29 ? -8.060  14.740 -12.582 1.00 43.16 ? 29  ARG A NE  1 
ATOM   228 C CZ  . ARG A 1 29 ? -8.701  15.846 -12.953 1.00 44.09 ? 29  ARG A CZ  1 
ATOM   229 N NH1 . ARG A 1 29 ? -10.022 15.946 -12.874 1.00 39.30 ? 29  ARG A NH1 1 
ATOM   230 N NH2 . ARG A 1 29 ? -7.995  16.897 -13.362 1.00 36.52 ? 29  ARG A NH2 1 
ATOM   231 N N   . LEU A 1 30 ? -7.290  16.534 -8.233  1.00 24.81 ? 30  LEU A N   1 
ATOM   232 C CA  . LEU A 1 30 ? -8.025  17.717 -7.795  1.00 24.66 ? 30  LEU A CA  1 
ATOM   233 C C   . LEU A 1 30 ? -7.283  19.013 -8.126  1.00 27.78 ? 30  LEU A C   1 
ATOM   234 O O   . LEU A 1 30 ? -7.888  20.001 -8.569  1.00 26.69 ? 30  LEU A O   1 
ATOM   235 C CB  . LEU A 1 30 ? -8.256  17.641 -6.292  1.00 27.45 ? 30  LEU A CB  1 
ATOM   236 C CG  . LEU A 1 30 ? -9.198  16.542 -5.821  1.00 24.37 ? 30  LEU A CG  1 
ATOM   237 C CD1 . LEU A 1 30 ? -8.989  16.388 -4.326  1.00 27.30 ? 30  LEU A CD1 1 
ATOM   238 C CD2 . LEU A 1 30 ? -10.615 16.908 -6.150  1.00 28.11 ? 30  LEU A CD2 1 
ATOM   239 N N   . ALA A 1 31 ? -5.984  19.059 -7.829  1.00 25.63 ? 31  ALA A N   1 
ATOM   240 C CA  . ALA A 1 31 ? -5.222  20.300 -7.952  1.00 26.99 ? 31  ALA A CA  1 
ATOM   241 C C   . ALA A 1 31 ? -5.106  20.740 -9.398  1.00 28.84 ? 31  ALA A C   1 
ATOM   242 O O   . ALA A 1 31 ? -4.988  21.935 -9.678  1.00 32.81 ? 31  ALA A O   1 
ATOM   243 C CB  . ALA A 1 31 ? -3.827  20.117 -7.356  1.00 26.99 ? 31  ALA A CB  1 
ATOM   244 N N   . ASN A 1 32 ? -5.155  19.801 -10.323 1.00 29.00 ? 32  ASN A N   1 
ATOM   245 C CA  . ASN A 1 32 ? -5.106  20.113 -11.734 1.00 34.20 ? 32  ASN A CA  1 
ATOM   246 C C   . ASN A 1 32 ? -6.478  20.407 -12.328 1.00 33.85 ? 32  ASN A C   1 
ATOM   247 O O   . ASN A 1 32 ? -6.587  20.590 -13.543 1.00 34.11 ? 32  ASN A O   1 
ATOM   248 C CB  . ASN A 1 32 ? -4.410  18.977 -12.452 1.00 32.32 ? 32  ASN A CB  1 
ATOM   249 C CG  . ASN A 1 32 ? -2.913  19.063 -12.278 1.00 36.03 ? 32  ASN A CG  1 
ATOM   250 O OD1 . ASN A 1 32 ? -2.245  19.812 -12.990 1.00 34.19 ? 32  ASN A OD1 1 
ATOM   251 N ND2 . ASN A 1 32 ? -2.389  18.372 -11.269 1.00 29.05 ? 32  ASN A ND2 1 
ATOM   252 N N   . SER A 1 33 ? -7.522  20.499 -11.502 1.00 29.81 ? 33  SER A N   1 
ATOM   253 C CA  . SER A 1 33 ? -8.848  20.870 -11.986 1.00 29.44 ? 33  SER A CA  1 
ATOM   254 C C   . SER A 1 33 ? -9.331  22.214 -11.453 1.00 32.58 ? 33  SER A C   1 
ATOM   255 O O   . SER A 1 33 ? -10.491 22.581 -11.682 1.00 35.00 ? 33  SER A O   1 
ATOM   256 C CB  . SER A 1 33 ? -9.848  19.777 -11.626 1.00 29.90 ? 33  SER A CB  1 
ATOM   257 O OG  . SER A 1 33 ? -10.060 19.800 -10.246 1.00 28.63 ? 33  SER A OG  1 
ATOM   258 N N   . ILE A 1 34 ? -8.488  22.954 -10.741 1.00 29.66 ? 34  ILE A N   1 
ATOM   259 C CA  . ILE A 1 34 ? -8.873  24.230 -10.150 1.00 31.05 ? 34  ILE A CA  1 
ATOM   260 C C   . ILE A 1 34 ? -7.615  25.069 -10.031 1.00 32.61 ? 34  ILE A C   1 
ATOM   261 O O   . ILE A 1 34 ? -6.519  24.535 -9.867  1.00 30.91 ? 34  ILE A O   1 
ATOM   262 C CB  . ILE A 1 34 ? -9.559  24.063 -8.773  1.00 31.35 ? 34  ILE A CB  1 
ATOM   263 C CG1 . ILE A 1 34 ? -9.996  25.417 -8.232  1.00 32.15 ? 34  ILE A CG1 1 
ATOM   264 C CG2 . ILE A 1 34 ? -8.630  23.365 -7.768  1.00 31.77 ? 34  ILE A CG2 1 
ATOM   265 C CD1 . ILE A 1 34 ? -11.332 25.391 -7.546  1.00 35.45 ? 34  ILE A CD1 1 
ATOM   266 N N   . SER A 1 35 ? -7.765  26.390 -10.133 1.00 34.79 ? 35  SER A N   1 
ATOM   267 C CA  . SER A 1 35 ? -6.598  27.255 -10.071 1.00 38.62 ? 35  SER A CA  1 
ATOM   268 C C   . SER A 1 35 ? -6.152  27.419 -8.626  1.00 38.93 ? 35  SER A C   1 
ATOM   269 O O   . SER A 1 35 ? -6.949  27.296 -7.688  1.00 36.04 ? 35  SER A O   1 
ATOM   270 C CB  . SER A 1 35 ? -6.896  28.624 -10.682 1.00 39.05 ? 35  SER A CB  1 
ATOM   271 O OG  . SER A 1 35 ? -7.856  29.322 -9.907  1.00 40.91 ? 35  SER A OG  1 
ATOM   272 N N   . THR A 1 36 ? -4.851  27.658 -8.443  1.00 42.96 ? 36  THR A N   1 
ATOM   273 C CA  . THR A 1 36 ? -4.363  27.949 -7.101  1.00 39.31 ? 36  THR A CA  1 
ATOM   274 C C   . THR A 1 36 ? -5.085  29.154 -6.521  1.00 36.90 ? 36  THR A C   1 
ATOM   275 O O   . THR A 1 36 ? -5.392  29.182 -5.329  1.00 37.51 ? 36  THR A O   1 
ATOM   276 C CB  . THR A 1 36 ? -2.856  28.194 -7.104  1.00 46.03 ? 36  THR A CB  1 
ATOM   277 O OG1 . THR A 1 36 ? -2.188  27.155 -7.821  1.00 46.31 ? 36  THR A OG1 1 
ATOM   278 C CG2 . THR A 1 36 ? -2.341  28.246 -5.683  1.00 48.06 ? 36  THR A CG2 1 
ATOM   279 N N   . GLU A 1 37 ? -5.383  30.153 -7.352  1.00 38.25 ? 37  GLU A N   1 
ATOM   280 C CA  . GLU A 1 37 ? -6.105  31.323 -6.862  1.00 42.79 ? 37  GLU A CA  1 
ATOM   281 C C   . GLU A 1 37 ? -7.467  30.938 -6.297  1.00 40.28 ? 37  GLU A C   1 
ATOM   282 O O   . GLU A 1 37 ? -7.819  31.322 -5.175  1.00 40.94 ? 37  GLU A O   1 
ATOM   283 C CB  . GLU A 1 37 ? -6.266  32.343 -7.988  1.00 50.43 ? 37  GLU A CB  1 
ATOM   284 C CG  . GLU A 1 37 ? -7.195  33.525 -7.672  1.00 55.09 ? 37  GLU A CG  1 
ATOM   285 C CD  . GLU A 1 37 ? -6.466  34.731 -7.079  1.00 62.08 ? 37  GLU A CD  1 
ATOM   286 O OE1 . GLU A 1 37 ? -6.164  34.692 -5.862  1.00 62.15 ? 37  GLU A OE1 1 
ATOM   287 O OE2 . GLU A 1 37 ? -6.227  35.724 -7.815  1.00 63.76 ? 37  GLU A OE2 1 
ATOM   288 N N   . LYS A 1 38 ? -8.260  30.196 -7.072  1.00 36.41 ? 38  LYS A N   1 
ATOM   289 C CA  . LYS A 1 38 ? -9.584  29.811 -6.598  1.00 36.89 ? 38  LYS A CA  1 
ATOM   290 C C   . LYS A 1 38 ? -9.498  28.930 -5.357  1.00 35.72 ? 38  LYS A C   1 
ATOM   291 O O   . LYS A 1 38 ? -10.310 29.062 -4.434  1.00 36.17 ? 38  LYS A O   1 
ATOM   292 C CB  . LYS A 1 38 ? -10.331 29.094 -7.705  1.00 38.92 ? 38  LYS A CB  1 
ATOM   293 C CG  . LYS A 1 38 ? -11.826 29.223 -7.642  1.00 38.76 ? 38  LYS A CG  1 
ATOM   294 C CD  . LYS A 1 38 ? -12.287 30.646 -7.606  1.00 44.07 ? 38  LYS A CD  1 
ATOM   295 C CE  . LYS A 1 38 ? -13.786 30.684 -7.535  1.00 44.68 ? 38  LYS A CE  1 
ATOM   296 N NZ  . LYS A 1 38 ? -14.261 31.777 -8.409  1.00 51.78 ? 38  LYS A NZ  1 
ATOM   297 N N   . LEU A 1 39 ? -8.532  28.013 -5.326  1.00 34.01 ? 39  LEU A N   1 
ATOM   298 C CA  . LEU A 1 39 ? -8.356  27.153 -4.158  1.00 35.82 ? 39  LEU A CA  1 
ATOM   299 C C   . LEU A 1 39 ? -8.110  27.963 -2.889  1.00 37.70 ? 39  LEU A C   1 
ATOM   300 O O   . LEU A 1 39 ? -8.707  27.695 -1.841  1.00 37.31 ? 39  LEU A O   1 
ATOM   301 C CB  . LEU A 1 39 ? -7.207  26.191 -4.411  1.00 37.41 ? 39  LEU A CB  1 
ATOM   302 C CG  . LEU A 1 39 ? -7.138  24.987 -3.488  1.00 38.72 ? 39  LEU A CG  1 
ATOM   303 C CD1 . LEU A 1 39 ? -8.449  24.257 -3.472  1.00 38.41 ? 39  LEU A CD1 1 
ATOM   304 C CD2 . LEU A 1 39 ? -6.029  24.077 -3.974  1.00 39.67 ? 39  LEU A CD2 1 
ATOM   305 N N   . ARG A 1 40 ? -7.240  28.973 -2.963  1.00 40.78 ? 40  ARG A N   1 
ATOM   306 C CA  . ARG A 1 40 ? -7.006  29.819 -1.796  1.00 38.07 ? 40  ARG A CA  1 
ATOM   307 C C   . ARG A 1 40 ? -8.266  30.551 -1.388  1.00 39.35 ? 40  ARG A C   1 
ATOM   308 O O   . ARG A 1 40 ? -8.574  30.646 -0.199  1.00 38.65 ? 40  ARG A O   1 
ATOM   309 C CB  . ARG A 1 40 ? -5.902  30.830 -2.074  1.00 44.58 ? 40  ARG A CB  1 
ATOM   310 C CG  . ARG A 1 40 ? -4.559  30.411 -1.511  1.00 53.47 ? 40  ARG A CG  1 
ATOM   311 C CD  . ARG A 1 40 ? -3.678  29.927 -2.639  1.00 58.26 ? 40  ARG A CD  1 
ATOM   312 N NE  . ARG A 1 40 ? -2.468  29.253 -2.184  1.00 70.15 ? 40  ARG A NE  1 
ATOM   313 C CZ  . ARG A 1 40 ? -1.244  29.748 -2.299  1.00 73.77 ? 40  ARG A CZ  1 
ATOM   314 N NH1 . ARG A 1 40 ? -1.031  30.956 -2.801  1.00 72.44 ? 40  ARG A NH1 1 
ATOM   315 N NH2 . ARG A 1 40 ? -0.205  29.010 -1.907  1.00 74.22 ? 40  ARG A NH2 1 
ATOM   316 N N   . GLN A 1 41 ? -8.996  31.088 -2.359  1.00 39.15 ? 41  GLN A N   1 
ATOM   317 C CA  . GLN A 1 41 ? -10.232 31.804 -2.052  1.00 39.08 ? 41  GLN A CA  1 
ATOM   318 C C   . GLN A 1 41 ? -11.203 30.930 -1.259  1.00 39.63 ? 41  GLN A C   1 
ATOM   319 O O   . GLN A 1 41 ? -11.714 31.338 -0.207  1.00 40.86 ? 41  GLN A O   1 
ATOM   320 C CB  . GLN A 1 41 ? -10.855 32.292 -3.355  1.00 40.16 ? 41  GLN A CB  1 
ATOM   321 C CG  . GLN A 1 41 ? -12.123 33.121 -3.212  1.00 49.61 ? 41  GLN A CG  1 
ATOM   322 C CD  . GLN A 1 41 ? -12.694 33.498 -4.572  1.00 53.18 ? 41  GLN A CD  1 
ATOM   323 O OE1 . GLN A 1 41 ? -11.962 33.975 -5.447  1.00 56.42 ? 41  GLN A OE1 1 
ATOM   324 N NE2 . GLN A 1 41 ? -13.992 33.235 -4.776  1.00 51.87 ? 41  GLN A NE2 1 
ATOM   325 N N   . TYR A 1 42 ? -11.454 29.706 -1.734  1.00 36.85 ? 42  TYR A N   1 
ATOM   326 C CA  . TYR A 1 42 ? -12.328 28.816 -0.986  1.00 36.27 ? 42  TYR A CA  1 
ATOM   327 C C   . TYR A 1 42 ? -11.736 28.494 0.377   1.00 34.04 ? 42  TYR A C   1 
ATOM   328 O O   . TYR A 1 42 ? -12.459 28.478 1.382   1.00 36.88 ? 42  TYR A O   1 
ATOM   329 C CB  . TYR A 1 42 ? -12.600 27.533 -1.774  1.00 34.55 ? 42  TYR A CB  1 
ATOM   330 C CG  . TYR A 1 42 ? -13.359 27.695 -3.086  1.00 34.72 ? 42  TYR A CG  1 
ATOM   331 C CD1 . TYR A 1 42 ? -14.511 28.466 -3.174  1.00 34.90 ? 42  TYR A CD1 1 
ATOM   332 C CD2 . TYR A 1 42 ? -12.971 26.982 -4.217  1.00 34.62 ? 42  TYR A CD2 1 
ATOM   333 C CE1 . TYR A 1 42 ? -15.215 28.571 -4.378  1.00 39.62 ? 42  TYR A CE1 1 
ATOM   334 C CE2 . TYR A 1 42 ? -13.661 27.080 -5.407  1.00 36.40 ? 42  TYR A CE2 1 
ATOM   335 C CZ  . TYR A 1 42 ? -14.777 27.873 -5.489  1.00 41.13 ? 42  TYR A CZ  1 
ATOM   336 O OH  . TYR A 1 42 ? -15.444 27.936 -6.693  1.00 41.19 ? 42  TYR A OH  1 
ATOM   337 N N   . ALA A 1 43 ? -10.427 28.242 0.436   1.00 33.76 ? 43  ALA A N   1 
ATOM   338 C CA  . ALA A 1 43 ? -9.798  27.874 1.695   1.00 35.32 ? 43  ALA A CA  1 
ATOM   339 C C   . ALA A 1 43 ? -9.949  28.980 2.732   1.00 36.83 ? 43  ALA A C   1 
ATOM   340 O O   . ALA A 1 43 ? -10.117 28.702 3.925   1.00 38.10 ? 43  ALA A O   1 
ATOM   341 C CB  . ALA A 1 43 ? -8.317  27.551 1.460   1.00 37.57 ? 43  ALA A CB  1 
ATOM   342 N N   . SER A 1 44 ? -9.922  30.238 2.290   1.00 41.03 ? 44  SER A N   1 
ATOM   343 C CA  . SER A 1 44 ? -10.069 31.371 3.199   1.00 41.56 ? 44  SER A CA  1 
ATOM   344 C C   . SER A 1 44 ? -11.447 31.437 3.837   1.00 43.26 ? 44  SER A C   1 
ATOM   345 O O   . SER A 1 44 ? -11.604 32.122 4.853   1.00 45.31 ? 44  SER A O   1 
ATOM   346 C CB  . SER A 1 44 ? -9.778  32.685 2.459   1.00 39.80 ? 44  SER A CB  1 
ATOM   347 O OG  . SER A 1 44 ? -10.748 32.947 1.447   1.00 41.20 ? 44  SER A OG  1 
ATOM   348 N N   . THR A 1 45 ? -12.450 30.759 3.277   1.00 41.46 ? 45  THR A N   1 
ATOM   349 C CA  . THR A 1 45 ? -13.779 30.775 3.877   1.00 39.56 ? 45  THR A CA  1 
ATOM   350 C C   . THR A 1 45 ? -14.017 29.604 4.827   1.00 41.85 ? 45  THR A C   1 
ATOM   351 O O   . THR A 1 45 ? -15.141 29.450 5.322   1.00 41.33 ? 45  THR A O   1 
ATOM   352 C CB  . THR A 1 45 ? -14.872 30.802 2.795   1.00 39.93 ? 45  THR A CB  1 
ATOM   353 O OG1 . THR A 1 45 ? -14.957 29.537 2.129   1.00 42.57 ? 45  THR A OG1 1 
ATOM   354 C CG2 . THR A 1 45 ? -14.595 31.868 1.784   1.00 36.57 ? 45  THR A CG2 1 
ATOM   355 N N   . TYR A 1 46 ? -12.988 28.795 5.119   1.00 39.07 ? 46  TYR A N   1 
ATOM   356 C CA  . TYR A 1 46 ? -13.210 27.611 5.945   1.00 38.85 ? 46  TYR A CA  1 
ATOM   357 C C   . TYR A 1 46 ? -13.675 27.972 7.353   1.00 40.77 ? 46  TYR A C   1 
ATOM   358 O O   . TYR A 1 46 ? -14.623 27.366 7.864   1.00 41.29 ? 46  TYR A O   1 
ATOM   359 C CB  . TYR A 1 46 ? -11.958 26.749 6.012   1.00 38.01 ? 46  TYR A CB  1 
ATOM   360 C CG  . TYR A 1 46 ? -12.152 25.522 6.866   1.00 34.98 ? 46  TYR A CG  1 
ATOM   361 C CD1 . TYR A 1 46 ? -12.951 24.470 6.432   1.00 36.37 ? 46  TYR A CD1 1 
ATOM   362 C CD2 . TYR A 1 46 ? -11.548 25.420 8.114   1.00 37.04 ? 46  TYR A CD2 1 
ATOM   363 C CE1 . TYR A 1 46 ? -13.137 23.358 7.214   1.00 34.92 ? 46  TYR A CE1 1 
ATOM   364 C CE2 . TYR A 1 46 ? -11.718 24.313 8.901   1.00 39.23 ? 46  TYR A CE2 1 
ATOM   365 C CZ  . TYR A 1 46 ? -12.523 23.289 8.461   1.00 40.45 ? 46  TYR A CZ  1 
ATOM   366 O OH  . TYR A 1 46 ? -12.683 22.189 9.269   1.00 39.07 ? 46  TYR A OH  1 
ATOM   367 N N   . ASN A 1 47 ? -13.035 28.958 7.998   1.00 41.45 ? 47  ASN A N   1 
ATOM   368 C CA  . ASN A 1 47 ? -13.464 29.341 9.343   1.00 42.90 ? 47  ASN A CA  1 
ATOM   369 C C   . ASN A 1 47 ? -14.949 29.659 9.376   1.00 42.48 ? 47  ASN A C   1 
ATOM   370 O O   . ASN A 1 47 ? -15.641 29.355 10.357  1.00 47.97 ? 47  ASN A O   1 
ATOM   371 C CB  . ASN A 1 47 ? -12.665 30.540 9.860   1.00 47.54 ? 47  ASN A CB  1 
ATOM   372 C CG  . ASN A 1 47 ? -11.237 30.184 10.222  1.00 52.08 ? 47  ASN A CG  1 
ATOM   373 O OD1 . ASN A 1 47 ? -10.897 29.014 10.396  1.00 51.12 ? 47  ASN A OD1 1 
ATOM   374 N ND2 . ASN A 1 47 ? -10.401 31.203 10.395  1.00 56.13 ? 47  ASN A ND2 1 
ATOM   375 N N   . LYS A 1 48 ? -15.464 30.248 8.298   1.00 42.36 ? 48  LYS A N   1 
ATOM   376 C CA  . LYS A 1 48 ? -16.880 30.584 8.255   1.00 41.61 ? 48  LYS A CA  1 
ATOM   377 C C   . LYS A 1 48 ? -17.736 29.331 8.147   1.00 46.69 ? 48  LYS A C   1 
ATOM   378 O O   . LYS A 1 48 ? -18.799 29.237 8.775   1.00 43.59 ? 48  LYS A O   1 
ATOM   379 C CB  . LYS A 1 48 ? -17.135 31.537 7.093   1.00 42.53 ? 48  LYS A CB  1 
ATOM   380 C CG  . LYS A 1 48 ? -18.541 31.531 6.552   1.00 44.78 ? 48  LYS A CG  1 
ATOM   381 C CD  . LYS A 1 48 ? -18.887 32.890 5.972   1.00 50.10 ? 48  LYS A CD  1 
ATOM   382 C CE  . LYS A 1 48 ? -20.216 32.853 5.225   1.00 52.99 ? 48  LYS A CE  1 
ATOM   383 N NZ  . LYS A 1 48 ? -21.362 32.525 6.122   1.00 60.80 ? 48  LYS A NZ  1 
ATOM   384 N N   . TYR A 1 49 ? -17.270 28.337 7.391   1.00 45.19 ? 49  TYR A N   1 
ATOM   385 C CA  . TYR A 1 49 ? -18.067 27.169 7.067   1.00 41.28 ? 49  TYR A CA  1 
ATOM   386 C C   . TYR A 1 49 ? -17.706 25.944 7.891   1.00 41.54 ? 49  TYR A C   1 
ATOM   387 O O   . TYR A 1 49 ? -18.273 24.877 7.646   1.00 41.10 ? 49  TYR A O   1 
ATOM   388 C CB  . TYR A 1 49 ? -17.920 26.837 5.577   1.00 41.75 ? 49  TYR A CB  1 
ATOM   389 C CG  . TYR A 1 49 ? -18.571 27.836 4.658   1.00 42.70 ? 49  TYR A CG  1 
ATOM   390 C CD1 . TYR A 1 49 ? -19.931 28.086 4.735   1.00 46.96 ? 49  TYR A CD1 1 
ATOM   391 C CD2 . TYR A 1 49 ? -17.830 28.534 3.717   1.00 39.87 ? 49  TYR A CD2 1 
ATOM   392 C CE1 . TYR A 1 49 ? -20.531 28.993 3.904   1.00 43.58 ? 49  TYR A CE1 1 
ATOM   393 C CE2 . TYR A 1 49 ? -18.426 29.450 2.881   1.00 42.80 ? 49  TYR A CE2 1 
ATOM   394 C CZ  . TYR A 1 49 ? -19.782 29.671 2.983   1.00 45.56 ? 49  TYR A CZ  1 
ATOM   395 O OH  . TYR A 1 49 ? -20.409 30.569 2.163   1.00 43.03 ? 49  TYR A OH  1 
ATOM   396 N N   . LYS A 1 50 ? -16.809 26.086 8.879   1.00 39.02 ? 50  LYS A N   1 
ATOM   397 C CA  . LYS A 1 50 ? -16.260 24.939 9.600   1.00 39.88 ? 50  LYS A CA  1 
ATOM   398 C C   . LYS A 1 50 ? -17.346 24.102 10.262  1.00 45.29 ? 50  LYS A C   1 
ATOM   399 O O   . LYS A 1 50 ? -17.297 22.866 10.223  1.00 43.64 ? 50  LYS A O   1 
ATOM   400 C CB  . LYS A 1 50 ? -15.253 25.419 10.640  1.00 39.22 ? 50  LYS A CB  1 
ATOM   401 C CG  . LYS A 1 50 ? -14.628 24.304 11.430  1.00 40.27 ? 50  LYS A CG  1 
ATOM   402 C CD  . LYS A 1 50 ? -13.556 24.811 12.377  1.00 42.11 ? 50  LYS A CD  1 
ATOM   403 C CE  . LYS A 1 50 ? -12.939 23.673 13.166  1.00 42.33 ? 50  LYS A CE  1 
ATOM   404 N NZ  . LYS A 1 50 ? -11.842 24.148 14.054  1.00 43.11 ? 50  LYS A NZ  1 
ATOM   405 N N   . TYR A 1 51 ? -18.315 24.759 10.889  1.00 44.03 ? 51  TYR A N   1 
ATOM   406 C CA  . TYR A 1 51 ? -19.365 23.992 11.612  1.00 44.96 ? 51  TYR A CA  1 
ATOM   407 C C   . TYR A 1 51 ? -20.685 24.096 10.849  1.00 49.50 ? 51  TYR A C   1 
ATOM   408 O O   . TYR A 1 51 ? -21.764 24.110 11.470  1.00 49.93 ? 51  TYR A O   1 
ATOM   409 C CB  . TYR A 1 51 ? -19.470 24.432 13.072  1.00 37.18 ? 51  TYR A CB  1 
ATOM   410 C CG  . TYR A 1 51 ? -18.238 24.130 13.904  1.00 41.81 ? 51  TYR A CG  1 
ATOM   411 C CD1 . TYR A 1 51 ? -17.994 22.849 14.375  1.00 43.84 ? 51  TYR A CD1 1 
ATOM   412 C CD2 . TYR A 1 51 ? -17.324 25.125 14.212  1.00 38.29 ? 51  TYR A CD2 1 
ATOM   413 C CE1 . TYR A 1 51 ? -16.873 22.568 15.134  1.00 44.39 ? 51  TYR A CE1 1 
ATOM   414 C CE2 . TYR A 1 51 ? -16.202 24.857 14.973  1.00 42.18 ? 51  TYR A CE2 1 
ATOM   415 C CZ  . TYR A 1 51 ? -15.976 23.574 15.433  1.00 42.76 ? 51  TYR A CZ  1 
ATOM   416 O OH  . TYR A 1 51 ? -14.871 23.302 16.180  1.00 48.34 ? 51  TYR A OH  1 
ATOM   417 N N   . TYR A 1 52 ? -20.600 24.152 9.525   1.00 43.70 ? 52  TYR A N   1 
ATOM   418 C CA  . TYR A 1 52 ? -21.826 24.193 8.693   1.00 49.30 ? 52  TYR A CA  1 
ATOM   419 C C   . TYR A 1 52 ? -22.570 22.889 8.864   1.00 56.47 ? 52  TYR A C   1 
ATOM   420 O O   . TYR A 1 52 ? -21.926 21.827 8.954   1.00 54.60 ? 52  TYR A O   1 
ATOM   421 C CB  . TYR A 1 52 ? -21.457 24.393 7.226   1.00 49.71 ? 52  TYR A CB  1 
ATOM   422 C CG  . TYR A 1 52 ? -22.607 24.448 6.236   1.00 50.32 ? 52  TYR A CG  1 
ATOM   423 C CD1 . TYR A 1 52 ? -23.262 25.640 5.971   1.00 54.52 ? 52  TYR A CD1 1 
ATOM   424 C CD2 . TYR A 1 52 ? -23.015 23.314 5.550   1.00 54.29 ? 52  TYR A CD2 1 
ATOM   425 C CE1 . TYR A 1 52 ? -24.299 25.701 5.060   1.00 54.01 ? 52  TYR A CE1 1 
ATOM   426 C CE2 . TYR A 1 52 ? -24.045 23.366 4.630   1.00 56.05 ? 52  TYR A CE2 1 
ATOM   427 C CZ  . TYR A 1 52 ? -24.693 24.561 4.390   1.00 54.71 ? 52  TYR A CZ  1 
ATOM   428 O OH  . TYR A 1 52 ? -25.711 24.620 3.492   1.00 56.24 ? 52  TYR A OH  1 
ATOM   429 N N   . SER A 1 53 ? -23.897 22.969 8.918   1.00 60.79 ? 53  SER A N   1 
ATOM   430 C CA  . SER A 1 53 ? -24.737 21.747 9.012   1.00 66.78 ? 53  SER A CA  1 
ATOM   431 C C   . SER A 1 53 ? -25.987 21.910 8.138   1.00 68.66 ? 53  SER A C   1 
ATOM   432 O O   . SER A 1 53 ? -26.743 20.930 8.013   1.00 75.21 ? 53  SER A O   1 
ATOM   433 C CB  . SER A 1 53 ? -25.107 21.442 10.431  1.00 70.90 ? 53  SER A CB  1 
ATOM   434 O OG  . SER A 1 53 ? -24.936 20.059 10.704  1.00 75.03 ? 53  SER A OG  1 
ATOM   435 N N   . GLY A 1 54 ? -26.186 23.088 7.553   1.00 62.20 ? 54  GLY A N   1 
ATOM   436 C CA  . GLY A 1 54 ? -27.338 23.317 6.663   1.00 65.15 ? 54  GLY A CA  1 
ATOM   437 C C   . GLY A 1 54 ? -27.477 22.200 5.659   1.00 68.45 ? 54  GLY A C   1 
ATOM   438 O O   . GLY A 1 54 ? -26.445 21.699 5.231   1.00 69.78 ? 54  GLY A O   1 
ATOM   439 N N   . SER A 1 55 ? -28.687 21.895 5.194   1.00 71.62 ? 55  SER A N   1 
ATOM   440 C CA  . SER A 1 55 ? -28.895 20.717 4.301   1.00 70.65 ? 55  SER A CA  1 
ATOM   441 C C   . SER A 1 55 ? -28.212 20.838 2.932   1.00 67.26 ? 55  SER A C   1 
ATOM   442 O O   . SER A 1 55 ? -27.739 21.926 2.586   1.00 65.17 ? 55  SER A O   1 
ATOM   443 C CB  . SER A 1 55 ? -30.361 20.419 4.128   1.00 69.53 ? 55  SER A CB  1 
ATOM   444 O OG  . SER A 1 55 ? -30.541 19.289 3.287   1.00 72.77 ? 55  SER A OG  1 
ATOM   445 N N   . ALA A 1 56 ? -28.182 19.735 2.183   1.00 63.62 ? 56  ALA A N   1 
ATOM   446 C CA  . ALA A 1 56 ? -27.579 19.716 0.835   1.00 59.10 ? 56  ALA A CA  1 
ATOM   447 C C   . ALA A 1 56 ? -28.429 20.546 -0.111  1.00 60.18 ? 56  ALA A C   1 
ATOM   448 O O   . ALA A 1 56 ? -27.964 20.882 -1.204  1.00 57.86 ? 56  ALA A O   1 
ATOM   449 C CB  . ALA A 1 56 ? -27.551 18.299 0.363   1.00 56.50 ? 56  ALA A CB  1 
ATOM   450 N N   . SER A 1 57 ? -29.662 20.811 0.296   1.00 63.21 ? 57  SER A N   1 
ATOM   451 C CA  . SER A 1 57 ? -30.577 21.628 -0.525  1.00 65.28 ? 57  SER A CA  1 
ATOM   452 C C   . SER A 1 57 ? -30.169 23.100 -0.420  1.00 66.20 ? 57  SER A C   1 
ATOM   453 O O   . SER A 1 57 ? -30.296 23.817 -1.428  1.00 68.81 ? 57  SER A O   1 
ATOM   454 C CB  . SER A 1 57 ? -31.993 21.411 -0.080  1.00 67.03 ? 57  SER A CB  1 
ATOM   455 O OG  . SER A 1 57 ? -32.052 20.991 1.275   1.00 68.16 ? 57  SER A OG  1 
ATOM   456 N N   . GLU A 1 58 ? -29.691 23.524 0.748   1.00 66.00 ? 58  GLU A N   1 
ATOM   457 C CA  . GLU A 1 58 ? -29.303 24.944 0.964   1.00 62.57 ? 58  GLU A CA  1 
ATOM   458 C C   . GLU A 1 58 ? -28.456 25.460 -0.205  1.00 62.14 ? 58  GLU A C   1 
ATOM   459 O O   . GLU A 1 58 ? -27.695 24.676 -0.783  1.00 62.99 ? 58  GLU A O   1 
ATOM   460 C CB  . GLU A 1 58 ? -28.566 25.068 2.295   1.00 63.80 ? 58  GLU A CB  1 
ATOM   461 C CG  . GLU A 1 58 ? -29.306 25.924 3.316   1.00 66.46 ? 58  GLU A CG  1 
ATOM   462 C CD  . GLU A 1 58 ? -29.976 25.107 4.402   1.00 69.56 ? 58  GLU A CD  1 
ATOM   463 O OE1 . GLU A 1 58 ? -30.376 23.961 4.120   1.00 74.55 ? 58  GLU A OE1 1 
ATOM   464 O OE2 . GLU A 1 58 ? -30.097 25.618 5.531   1.00 68.19 ? 58  GLU A OE2 1 
ATOM   465 N N   . ALA A 1 59 ? -28.556 26.754 -0.502  1.00 64.50 ? 59  ALA A N   1 
ATOM   466 C CA  . ALA A 1 59 ? -27.805 27.343 -1.634  1.00 60.01 ? 59  ALA A CA  1 
ATOM   467 C C   . ALA A 1 59 ? -26.328 27.524 -1.293  1.00 56.52 ? 59  ALA A C   1 
ATOM   468 O O   . ALA A 1 59 ? -25.500 27.516 -2.214  1.00 60.97 ? 59  ALA A O   1 
ATOM   469 C CB  . ALA A 1 59 ? -28.422 28.665 -1.989  1.00 64.82 ? 59  ALA A CB  1 
ATOM   470 N N   . ASP A 1 60 ? -26.015 27.690 -0.011  1.00 53.89 ? 60  ASP A N   1 
ATOM   471 C CA  . ASP A 1 60 ? -24.595 27.833 0.398   1.00 51.82 ? 60  ASP A CA  1 
ATOM   472 C C   . ASP A 1 60 ? -23.961 26.452 0.539   1.00 47.07 ? 60  ASP A C   1 
ATOM   473 O O   . ASP A 1 60 ? -22.866 26.369 1.098   1.00 44.21 ? 60  ASP A O   1 
ATOM   474 C CB  . ASP A 1 60 ? -24.446 28.646 1.673   1.00 49.79 ? 60  ASP A CB  1 
ATOM   475 C CG  . ASP A 1 60 ? -25.236 28.162 2.877   1.00 58.31 ? 60  ASP A CG  1 
ATOM   476 O OD1 . ASP A 1 60 ? -26.085 27.268 2.705   1.00 61.89 ? 60  ASP A OD1 1 
ATOM   477 O OD2 . ASP A 1 60 ? -24.991 28.690 3.977   1.00 55.24 ? 60  ASP A OD2 1 
ATOM   478 N N   . TYR A 1 61 ? -24.598 25.423 -0.015  1.00 50.70 ? 61  TYR A N   1 
ATOM   479 C CA  . TYR A 1 61 ? -24.005 24.130 0.274   1.00 47.08 ? 61  TYR A CA  1 
ATOM   480 C C   . TYR A 1 61 ? -22.729 23.894 -0.536  1.00 42.33 ? 61  TYR A C   1 
ATOM   481 O O   . TYR A 1 61 ? -21.755 23.402 0.041   1.00 42.56 ? 61  TYR A O   1 
ATOM   482 C CB  . TYR A 1 61 ? -25.026 23.013 0.069   1.00 50.94 ? 61  TYR A CB  1 
ATOM   483 C CG  . TYR A 1 61 ? -24.490 21.656 0.456   1.00 51.24 ? 61  TYR A CG  1 
ATOM   484 C CD1 . TYR A 1 61 ? -24.279 21.326 1.788   1.00 54.91 ? 61  TYR A CD1 1 
ATOM   485 C CD2 . TYR A 1 61 ? -24.194 20.706 -0.501  1.00 51.47 ? 61  TYR A CD2 1 
ATOM   486 C CE1 . TYR A 1 61 ? -23.776 20.080 2.143   1.00 55.32 ? 61  TYR A CE1 1 
ATOM   487 C CE2 . TYR A 1 61 ? -23.703 19.462 -0.165  1.00 50.67 ? 61  TYR A CE2 1 
ATOM   488 C CZ  . TYR A 1 61 ? -23.493 19.154 1.157   1.00 51.07 ? 61  TYR A CZ  1 
ATOM   489 O OH  . TYR A 1 61 ? -23.002 17.920 1.500   1.00 53.25 ? 61  TYR A OH  1 
ATOM   490 N N   . ARG A 1 62 ? -22.681 24.246 -1.844  1.00 44.67 ? 62  ARG A N   1 
ATOM   491 C CA  . ARG A 1 62 ? -21.396 24.189 -2.572  1.00 43.52 ? 62  ARG A CA  1 
ATOM   492 C C   . ARG A 1 62 ? -20.331 24.963 -1.840  1.00 42.80 ? 62  ARG A C   1 
ATOM   493 O O   . ARG A 1 62 ? -19.179 24.533 -1.777  1.00 39.98 ? 62  ARG A O   1 
ATOM   494 C CB  . ARG A 1 62 ? -21.368 24.790 -4.001  1.00 49.08 ? 62  ARG A CB  1 
ATOM   495 C CG  . ARG A 1 62 ? -22.516 24.755 -4.920  1.00 57.61 ? 62  ARG A CG  1 
ATOM   496 C CD  . ARG A 1 62 ? -22.491 25.583 -6.252  1.00 57.18 ? 62  ARG A CD  1 
ATOM   497 N NE  . ARG A 1 62 ? -21.305 25.569 -7.104  1.00 59.68 ? 62  ARG A NE  1 
ATOM   498 C CZ  . ARG A 1 62 ? -20.586 26.653 -7.380  1.00 59.76 ? 62  ARG A CZ  1 
ATOM   499 N NH1 . ARG A 1 62 ? -20.871 27.829 -6.838  1.00 57.99 ? 62  ARG A NH1 1 
ATOM   500 N NH2 . ARG A 1 62 ? -19.575 26.562 -8.244  1.00 58.17 ? 62  ARG A NH2 1 
ATOM   501 N N   . LEU A 1 63 ? -20.673 26.180 -1.404  1.00 44.31 ? 63  LEU A N   1 
ATOM   502 C CA  . LEU A 1 63 ? -19.675 27.044 -0.796  1.00 38.83 ? 63  LEU A CA  1 
ATOM   503 C C   . LEU A 1 63 ? -19.084 26.386 0.429   1.00 37.17 ? 63  LEU A C   1 
ATOM   504 O O   . LEU A 1 63 ? -17.869 26.444 0.637   1.00 38.05 ? 63  LEU A O   1 
ATOM   505 C CB  . LEU A 1 63 ? -20.278 28.402 -0.424  1.00 40.83 ? 63  LEU A CB  1 
ATOM   506 C CG  . LEU A 1 63 ? -20.792 29.383 -1.485  1.00 41.90 ? 63  LEU A CG  1 
ATOM   507 C CD1 . LEU A 1 63 ? -21.733 28.753 -2.491  1.00 47.80 ? 63  LEU A CD1 1 
ATOM   508 C CD2 . LEU A 1 63 ? -21.489 30.520 -0.779  1.00 44.54 ? 63  LEU A CD2 1 
ATOM   509 N N   . ALA A 1 64 ? -19.928 25.760 1.249   1.00 37.20 ? 64  ALA A N   1 
ATOM   510 C CA  . ALA A 1 64 ? -19.431 25.015 2.400   1.00 36.90 ? 64  ALA A CA  1 
ATOM   511 C C   . ALA A 1 64 ? -18.570 23.840 1.956   1.00 33.17 ? 64  ALA A C   1 
ATOM   512 O O   . ALA A 1 64 ? -17.471 23.631 2.476   1.00 33.09 ? 64  ALA A O   1 
ATOM   513 C CB  . ALA A 1 64 ? -20.598 24.528 3.252   1.00 40.55 ? 64  ALA A CB  1 
ATOM   514 N N   . CYS A 1 65 ? -19.055 23.065 0.989   1.00 33.20 ? 65  CYS A N   1 
ATOM   515 C CA  . CYS A 1 65 ? -18.282 21.933 0.478   1.00 32.03 ? 65  CYS A CA  1 
ATOM   516 C C   . CYS A 1 65 ? -16.938 22.377 -0.085  1.00 31.57 ? 65  CYS A C   1 
ATOM   517 O O   . CYS A 1 65 ? -15.911 21.724 0.154   1.00 30.48 ? 65  CYS A O   1 
ATOM   518 C CB  . CYS A 1 65 ? -19.079 21.208 -0.599  1.00 35.32 ? 65  CYS A CB  1 
ATOM   519 S SG  . CYS A 1 65 ? -20.483 20.261 -0.028  1.00 35.49 ? 65  CYS A SG  1 
ATOM   520 N N   . PHE A 1 66 ? -16.930 23.470 -0.857  1.00 29.05 ? 66  PHE A N   1 
ATOM   521 C CA  . PHE A 1 66 ? -15.689 23.979 -1.443  1.00 30.24 ? 66  PHE A CA  1 
ATOM   522 C C   . PHE A 1 66 ? -14.704 24.414 -0.373  1.00 29.32 ? 66  PHE A C   1 
ATOM   523 O O   . PHE A 1 66 ? -13.499 24.190 -0.497  1.00 30.98 ? 66  PHE A O   1 
ATOM   524 C CB  . PHE A 1 66 ? -15.980 25.164 -2.364  1.00 33.29 ? 66  PHE A CB  1 
ATOM   525 C CG  . PHE A 1 66 ? -16.795 24.829 -3.549  1.00 33.23 ? 66  PHE A CG  1 
ATOM   526 C CD1 . PHE A 1 66 ? -16.976 23.521 -3.945  1.00 33.31 ? 66  PHE A CD1 1 
ATOM   527 C CD2 . PHE A 1 66 ? -17.372 25.835 -4.296  1.00 40.77 ? 66  PHE A CD2 1 
ATOM   528 C CE1 . PHE A 1 66 ? -17.732 23.218 -5.067  1.00 35.64 ? 66  PHE A CE1 1 
ATOM   529 C CE2 . PHE A 1 66 ? -18.126 25.534 -5.411  1.00 42.93 ? 66  PHE A CE2 1 
ATOM   530 C CZ  . PHE A 1 66 ? -18.308 24.222 -5.792  1.00 41.49 ? 66  PHE A CZ  1 
ATOM   531 N N   . ALA A 1 67 ? -15.197 25.060 0.679   1.00 31.46 ? 67  ALA A N   1 
ATOM   532 C CA  . ALA A 1 67 ? -14.316 25.436 1.777   1.00 33.06 ? 67  ALA A CA  1 
ATOM   533 C C   . ALA A 1 67 ? -13.684 24.214 2.414   1.00 30.26 ? 67  ALA A C   1 
ATOM   534 O O   . ALA A 1 67 ? -12.475 24.195 2.700   1.00 30.80 ? 67  ALA A O   1 
ATOM   535 C CB  . ALA A 1 67 ? -15.100 26.216 2.827   1.00 33.65 ? 67  ALA A CB  1 
ATOM   536 N N   . HIS A 1 68 ? -14.491 23.189 2.662   1.00 28.57 ? 68  HIS A N   1 
ATOM   537 C CA  . HIS A 1 68 ? -14.004 22.029 3.391   1.00 30.36 ? 68  HIS A CA  1 
ATOM   538 C C   . HIS A 1 68 ? -12.966 21.279 2.579   1.00 27.65 ? 68  HIS A C   1 
ATOM   539 O O   . HIS A 1 68 ? -11.900 20.926 3.092   1.00 28.96 ? 68  HIS A O   1 
ATOM   540 C CB  . HIS A 1 68 ? -15.185 21.141 3.760   1.00 32.85 ? 68  HIS A CB  1 
ATOM   541 C CG  . HIS A 1 68 ? -15.864 21.554 5.040   1.00 36.76 ? 68  HIS A CG  1 
ATOM   542 N ND1 . HIS A 1 68 ? -15.795 20.811 6.198   1.00 35.94 ? 68  HIS A ND1 1 
ATOM   543 C CD2 . HIS A 1 68 ? -16.597 22.652 5.343   1.00 35.60 ? 68  HIS A CD2 1 
ATOM   544 C CE1 . HIS A 1 68 ? -16.469 21.425 7.155   1.00 43.52 ? 68  HIS A CE1 1 
ATOM   545 N NE2 . HIS A 1 68 ? -16.958 22.550 6.664   1.00 36.84 ? 68  HIS A NE2 1 
ATOM   546 N N   . LEU A 1 69 ? -13.245 21.057 1.295   1.00 27.46 ? 69  LEU A N   1 
ATOM   547 C CA  . LEU A 1 69 ? -12.281 20.355 0.449   1.00 25.49 ? 69  LEU A CA  1 
ATOM   548 C C   . LEU A 1 69 ? -10.999 21.156 0.302   1.00 25.88 ? 69  LEU A C   1 
ATOM   549 O O   . LEU A 1 69 ? -9.902  20.598 0.331   1.00 26.72 ? 69  LEU A O   1 
ATOM   550 C CB  . LEU A 1 69 ? -12.886 20.074 -0.931  1.00 25.33 ? 69  LEU A CB  1 
ATOM   551 C CG  . LEU A 1 69 ? -11.959 19.238 -1.842  1.00 25.04 ? 69  LEU A CG  1 
ATOM   552 C CD1 . LEU A 1 69 ? -11.448 18.005 -1.118  1.00 25.22 ? 69  LEU A CD1 1 
ATOM   553 C CD2 . LEU A 1 69 ? -12.607 18.842 -3.163  1.00 24.62 ? 69  LEU A CD2 1 
ATOM   554 N N   . ALA A 1 70 ? -11.116 22.466 0.109   1.00 27.12 ? 70  ALA A N   1 
ATOM   555 C CA  . ALA A 1 70 ? -9.929  23.297 -0.044  1.00 28.12 ? 70  ALA A CA  1 
ATOM   556 C C   . ALA A 1 70 ? -9.057  23.251 1.199   1.00 29.67 ? 70  ALA A C   1 
ATOM   557 O O   . ALA A 1 70 ? -7.828  23.165 1.100   1.00 30.35 ? 70  ALA A O   1 
ATOM   558 C CB  . ALA A 1 70 ? -10.340 24.726 -0.358  1.00 32.11 ? 70  ALA A CB  1 
ATOM   559 N N   . LYS A 1 71 ? -9.674  23.282 2.379   1.00 31.90 ? 71  LYS A N   1 
ATOM   560 C CA  . LYS A 1 71 ? -8.920  23.128 3.619   1.00 31.62 ? 71  LYS A CA  1 
ATOM   561 C C   . LYS A 1 71 ? -8.255  21.764 3.704   1.00 35.05 ? 71  LYS A C   1 
ATOM   562 O O   . LYS A 1 71 ? -7.083  21.660 4.087   1.00 34.34 ? 71  LYS A O   1 
ATOM   563 C CB  . LYS A 1 71 ? -9.850  23.341 4.813   1.00 34.73 ? 71  LYS A CB  1 
ATOM   564 C CG  . LYS A 1 71 ? -9.210  23.076 6.192   1.00 42.83 ? 71  LYS A CG  1 
ATOM   565 C CD  . LYS A 1 71 ? -8.192  24.125 6.574   1.00 44.60 ? 71  LYS A CD  1 
ATOM   566 C CE  . LYS A 1 71 ? -7.426  23.744 7.852   1.00 46.17 ? 71  LYS A CE  1 
ATOM   567 N NZ  . LYS A 1 71 ? -8.116  22.678 8.631   1.00 46.34 ? 71  LYS A NZ  1 
ATOM   568 N N   . ALA A 1 72 ? -8.988  20.702 3.350   1.00 29.43 ? 72  ALA A N   1 
ATOM   569 C CA  . ALA A 1 72 ? -8.403  19.368 3.310   1.00 30.42 ? 72  ALA A CA  1 
ATOM   570 C C   . ALA A 1 72 ? -7.181  19.324 2.411   1.00 30.45 ? 72  ALA A C   1 
ATOM   571 O O   . ALA A 1 72 ? -6.202  18.626 2.697   1.00 31.09 ? 72  ALA A O   1 
ATOM   572 C CB  . ALA A 1 72 ? -9.441  18.374 2.815   1.00 29.36 ? 72  ALA A CB  1 
ATOM   573 N N   . MET A 1 73 ? -7.241  20.033 1.298   1.00 28.79 ? 73  MET A N   1 
ATOM   574 C CA  . MET A 1 73 ? -6.150  20.025 0.345   1.00 29.19 ? 73  MET A CA  1 
ATOM   575 C C   . MET A 1 73 ? -4.958  20.815 0.871   1.00 32.74 ? 73  MET A C   1 
ATOM   576 O O   . MET A 1 73 ? -3.808  20.373 0.766   1.00 32.07 ? 73  MET A O   1 
ATOM   577 C CB  . MET A 1 73 ? -6.675  20.591 -0.972  1.00 28.16 ? 73  MET A CB  1 
ATOM   578 C CG  . MET A 1 73 ? -7.358  19.512 -1.824  1.00 27.17 ? 73  MET A CG  1 
ATOM   579 S SD  . MET A 1 73 ? -7.904  20.201 -3.381  1.00 32.44 ? 73  MET A SD  1 
ATOM   580 C CE  . MET A 1 73 ? -6.382  20.148 -4.300  1.00 29.09 ? 73  MET A CE  1 
ATOM   581 N N   . MET A 1 74 ? -5.221  21.978 1.457   1.00 35.11 ? 74  MET A N   1 
ATOM   582 C CA  . MET A 1 74 ? -4.155  22.733 2.096   1.00 35.44 ? 74  MET A CA  1 
ATOM   583 C C   . MET A 1 74 ? -3.467  21.877 3.147   1.00 36.02 ? 74  MET A C   1 
ATOM   584 O O   . MET A 1 74 ? -2.237  21.796 3.188   1.00 40.28 ? 74  MET A O   1 
ATOM   585 C CB  . MET A 1 74 ? -4.738  23.990 2.730   1.00 33.37 ? 74  MET A CB  1 
ATOM   586 C CG  . MET A 1 74 ? -4.942  25.117 1.747   1.00 44.89 ? 74  MET A CG  1 
ATOM   587 S SD  . MET A 1 74 ? -3.752  25.192 0.394   1.00 65.17 ? 74  MET A SD  1 
ATOM   588 C CE  . MET A 1 74 ? -4.550  26.466 -0.598  1.00 54.00 ? 74  MET A CE  1 
ATOM   589 N N   . ASP A 1 75 ? -4.244  21.149 3.927   1.00 35.64 ? 75  ASP A N   1 
ATOM   590 C CA  . ASP A 1 75 ? -3.654  20.267 4.958   1.00 35.96 ? 75  ASP A CA  1 
ATOM   591 C C   . ASP A 1 75 ? -2.763  19.217 4.300   1.00 39.84 ? 75  ASP A C   1 
ATOM   592 O O   . ASP A 1 75 ? -1.614  19.073 4.733   1.00 40.15 ? 75  ASP A O   1 
ATOM   593 C CB  . ASP A 1 75 ? -4.730  19.620 5.805   1.00 38.49 ? 75  ASP A CB  1 
ATOM   594 C CG  . ASP A 1 75 ? -5.444  20.542 6.780   1.00 43.46 ? 75  ASP A CG  1 
ATOM   595 O OD1 . ASP A 1 75 ? -4.920  21.639 7.039   1.00 44.89 ? 75  ASP A OD1 1 
ATOM   596 O OD2 . ASP A 1 75 ? -6.518  20.152 7.270   1.00 47.56 ? 75  ASP A OD2 1 
ATOM   597 N N   . TYR A 1 76 ? -3.282  18.492 3.313   1.00 35.12 ? 76  TYR A N   1 
ATOM   598 C CA  . TYR A 1 76 ? -2.486  17.392 2.718   1.00 34.34 ? 76  TYR A CA  1 
ATOM   599 C C   . TYR A 1 76 ? -1.172  17.957 2.209   1.00 36.18 ? 76  TYR A C   1 
ATOM   600 O O   . TYR A 1 76 ? -0.122  17.343 2.395   1.00 38.27 ? 76  TYR A O   1 
ATOM   601 C CB  . TYR A 1 76 ? -3.240  16.672 1.597   1.00 34.02 ? 76  TYR A CB  1 
ATOM   602 C CG  . TYR A 1 76 ? -2.528  15.426 1.102   1.00 31.31 ? 76  TYR A CG  1 
ATOM   603 C CD1 . TYR A 1 76 ? -1.605  15.488 0.068   1.00 35.81 ? 76  TYR A CD1 1 
ATOM   604 C CD2 . TYR A 1 76 ? -2.763  14.196 1.694   1.00 33.45 ? 76  TYR A CD2 1 
ATOM   605 C CE1 . TYR A 1 76 ? -0.937  14.359 -0.366  1.00 35.69 ? 76  TYR A CE1 1 
ATOM   606 C CE2 . TYR A 1 76 ? -2.106  13.060 1.266   1.00 35.85 ? 76  TYR A CE2 1 
ATOM   607 C CZ  . TYR A 1 76 ? -1.194  13.142 0.234   1.00 34.43 ? 76  TYR A CZ  1 
ATOM   608 O OH  . TYR A 1 76 ? -0.550  12.022 -0.183  1.00 41.31 ? 76  TYR A OH  1 
ATOM   609 N N   . ALA A 1 77 ? -1.228  19.113 1.570   1.00 34.15 ? 77  ALA A N   1 
ATOM   610 C CA  . ALA A 1 77 ? -0.010  19.672 0.945   1.00 37.16 ? 77  ALA A CA  1 
ATOM   611 C C   . ALA A 1 77 ? 1.065   19.915 2.001   1.00 39.88 ? 77  ALA A C   1 
ATOM   612 O O   . ALA A 1 77 ? 2.249   19.936 1.642   1.00 40.70 ? 77  ALA A O   1 
ATOM   613 C CB  . ALA A 1 77 ? -0.361  20.932 0.212   1.00 34.21 ? 77  ALA A CB  1 
ATOM   614 N N   . SER A 1 78 ? 0.658   20.068 3.256   1.00 38.37 ? 78  SER A N   1 
ATOM   615 C CA  . SER A 1 78 ? 1.617   20.335 4.352   1.00 41.02 ? 78  SER A CA  1 
ATOM   616 C C   . SER A 1 78 ? 2.053   19.038 5.034   1.00 44.77 ? 78  SER A C   1 
ATOM   617 O O   . SER A 1 78 ? 3.240   18.936 5.374   1.00 45.53 ? 78  SER A O   1 
ATOM   618 C CB  . SER A 1 78 ? 1.010   21.265 5.352   1.00 42.43 ? 78  SER A CB  1 
ATOM   619 O OG  . SER A 1 78 ? -0.004  20.617 6.102   1.00 47.54 ? 78  SER A OG  1 
ATOM   620 N N   . ASN A 1 79 ? 1.149   18.078 5.188   1.00 39.16 ? 79  ASN A N   1 
ATOM   621 C CA  . ASN A 1 79 ? 1.486   16.876 5.997   1.00 38.63 ? 79  ASN A CA  1 
ATOM   622 C C   . ASN A 1 79 ? 1.559   15.594 5.166   1.00 38.74 ? 79  ASN A C   1 
ATOM   623 O O   . ASN A 1 79 ? 2.115   14.615 5.678   1.00 39.93 ? 79  ASN A O   1 
ATOM   624 C CB  . ASN A 1 79 ? 0.500   16.708 7.145   1.00 43.53 ? 79  ASN A CB  1 
ATOM   625 C CG  . ASN A 1 79 ? -0.942  16.573 6.720   1.00 42.06 ? 79  ASN A CG  1 
ATOM   626 O OD1 . ASN A 1 79 ? -1.272  15.766 5.847   1.00 40.74 ? 79  ASN A OD1 1 
ATOM   627 N ND2 . ASN A 1 79 ? -1.820  17.329 7.358   1.00 44.81 ? 79  ASN A ND2 1 
ATOM   628 N N   . HIS A 1 80 ? 0.965   15.591 3.977   1.00 36.58 ? 80  HIS A N   1 
ATOM   629 C CA  . HIS A 1 80 ? 1.060   14.408 3.123   1.00 33.47 ? 80  HIS A CA  1 
ATOM   630 C C   . HIS A 1 80 ? 0.429   13.175 3.778   1.00 36.50 ? 80  HIS A C   1 
ATOM   631 O O   . HIS A 1 80 ? 0.754   12.036 3.423   1.00 39.53 ? 80  HIS A O   1 
ATOM   632 C CB  . HIS A 1 80 ? 2.524   14.137 2.755   1.00 40.35 ? 80  HIS A CB  1 
ATOM   633 C CG  . HIS A 1 80 ? 3.029   14.936 1.585   1.00 41.02 ? 80  HIS A CG  1 
ATOM   634 N ND1 . HIS A 1 80 ? 2.662   16.248 1.358   1.00 43.34 ? 80  HIS A ND1 1 
ATOM   635 C CD2 . HIS A 1 80 ? 3.974   14.650 0.659   1.00 41.13 ? 80  HIS A CD2 1 
ATOM   636 C CE1 . HIS A 1 80 ? 3.307   16.710 0.300   1.00 36.88 ? 80  HIS A CE1 1 
ATOM   637 N NE2 . HIS A 1 80 ? 4.106   15.759 -0.145  1.00 42.94 ? 80  HIS A NE2 1 
ATOM   638 N N   . ASN A 1 81 ? -0.467  13.369 4.743   1.00 35.03 ? 81  ASN A N   1 
ATOM   639 C CA  . ASN A 1 81 ? -1.129  12.252 5.416   1.00 38.53 ? 81  ASN A CA  1 
ATOM   640 C C   . ASN A 1 81 ? -2.440  11.927 4.715   1.00 32.88 ? 81  ASN A C   1 
ATOM   641 O O   . ASN A 1 81 ? -3.382  12.727 4.747   1.00 33.18 ? 81  ASN A O   1 
ATOM   642 C CB  . ASN A 1 81 ? -1.380  12.550 6.894   1.00 40.86 ? 81  ASN A CB  1 
ATOM   643 C CG  . ASN A 1 81 ? -0.095  12.815 7.664   1.00 42.17 ? 81  ASN A CG  1 
ATOM   644 O OD1 . ASN A 1 81 ? 0.013   13.795 8.400   1.00 46.34 ? 81  ASN A OD1 1 
ATOM   645 N ND2 . ASN A 1 81 ? 0.891   11.938 7.487   1.00 42.51 ? 81  ASN A ND2 1 
ATOM   646 N N   . ASP A 1 82 ? -2.500  10.741 4.107   1.00 31.86 ? 82  ASP A N   1 
ATOM   647 C CA  . ASP A 1 82 ? -3.738  10.284 3.482   1.00 33.76 ? 82  ASP A CA  1 
ATOM   648 C C   . ASP A 1 82 ? -4.875  10.261 4.489   1.00 35.55 ? 82  ASP A C   1 
ATOM   649 O O   . ASP A 1 82 ? -4.746  9.712  5.589   1.00 32.45 ? 82  ASP A O   1 
ATOM   650 C CB  . ASP A 1 82 ? -3.544  8.896  2.897   1.00 32.47 ? 82  ASP A CB  1 
ATOM   651 C CG  . ASP A 1 82 ? -2.430  8.848  1.883   1.00 36.45 ? 82  ASP A CG  1 
ATOM   652 O OD1 . ASP A 1 82 ? -1.892  9.924  1.557   1.00 38.44 ? 82  ASP A OD1 1 
ATOM   653 O OD2 . ASP A 1 82 ? -2.110  7.735  1.421   1.00 36.78 ? 82  ASP A OD2 1 
ATOM   654 N N   . THR A 1 83 ? -6.010  10.826 4.101   1.00 32.80 ? 83  THR A N   1 
ATOM   655 C CA  . THR A 1 83 ? -7.113  10.959 5.031   1.00 32.72 ? 83  THR A CA  1 
ATOM   656 C C   . THR A 1 83 ? -8.429  10.890 4.274   1.00 33.60 ? 83  THR A C   1 
ATOM   657 O O   . THR A 1 83 ? -8.507  11.273 3.101   1.00 31.03 ? 83  THR A O   1 
ATOM   658 C CB  . THR A 1 83 ? -6.988  12.273 5.809   1.00 35.62 ? 83  THR A CB  1 
ATOM   659 O OG1 . THR A 1 83 ? -7.948  12.284 6.874   1.00 43.97 ? 83  THR A OG1 1 
ATOM   660 C CG2 . THR A 1 83 ? -7.242  13.445 4.915   1.00 36.29 ? 83  THR A CG2 1 
ATOM   661 N N   . LEU A 1 84 ? -9.468  10.406 4.952   1.00 30.65 ? 84  LEU A N   1 
ATOM   662 C CA  . LEU A 1 84 ? -10.789 10.392 4.344   1.00 30.04 ? 84  LEU A CA  1 
ATOM   663 C C   . LEU A 1 84 ? -11.366 11.796 4.296   1.00 31.93 ? 84  LEU A C   1 
ATOM   664 O O   . LEU A 1 84 ? -11.377 12.515 5.301   1.00 31.01 ? 84  LEU A O   1 
ATOM   665 C CB  . LEU A 1 84 ? -11.729 9.496  5.128   1.00 29.27 ? 84  LEU A CB  1 
ATOM   666 C CG  . LEU A 1 84 ? -13.161 9.462  4.584   1.00 31.92 ? 84  LEU A CG  1 
ATOM   667 C CD1 . LEU A 1 84 ? -13.222 8.733  3.297   1.00 31.07 ? 84  LEU A CD1 1 
ATOM   668 C CD2 . LEU A 1 84 ? -14.096 8.823  5.605   1.00 33.83 ? 84  LEU A CD2 1 
ATOM   669 N N   . TYR A 1 85 ? -11.866 12.180 3.129   1.00 28.92 ? 85  TYR A N   1 
ATOM   670 C CA  . TYR A 1 85 ? -12.613 13.417 2.985   1.00 27.19 ? 85  TYR A CA  1 
ATOM   671 C C   . TYR A 1 85 ? -14.093 13.071 2.910   1.00 27.26 ? 85  TYR A C   1 
ATOM   672 O O   . TYR A 1 85 ? -14.501 12.252 2.083   1.00 28.91 ? 85  TYR A O   1 
ATOM   673 C CB  . TYR A 1 85 ? -12.190 14.214 1.738   1.00 27.27 ? 85  TYR A CB  1 
ATOM   674 C CG  . TYR A 1 85 ? -13.127 15.385 1.516   1.00 25.31 ? 85  TYR A CG  1 
ATOM   675 C CD1 . TYR A 1 85 ? -12.956 16.577 2.215   1.00 27.26 ? 85  TYR A CD1 1 
ATOM   676 C CD2 . TYR A 1 85 ? -14.209 15.275 0.641   1.00 26.98 ? 85  TYR A CD2 1 
ATOM   677 C CE1 . TYR A 1 85 ? -13.840 17.634 2.057   1.00 27.11 ? 85  TYR A CE1 1 
ATOM   678 C CE2 . TYR A 1 85 ? -15.094 16.322 0.470   1.00 28.68 ? 85  TYR A CE2 1 
ATOM   679 C CZ  . TYR A 1 85 ? -14.909 17.503 1.202   1.00 27.81 ? 85  TYR A CZ  1 
ATOM   680 O OH  . TYR A 1 85 ? -15.796 18.546 1.036   1.00 30.98 ? 85  TYR A OH  1 
ATOM   681 N N   . THR A 1 86 ? -14.866 13.727 3.775   1.00 28.45 ? 86  THR A N   1 
ATOM   682 C CA  . THR A 1 86 ? -16.334 13.625 3.766   1.00 33.29 ? 86  THR A CA  1 
ATOM   683 C C   . THR A 1 86 ? -16.866 15.044 3.701   1.00 30.62 ? 86  THR A C   1 
ATOM   684 O O   . THR A 1 86 ? -16.259 15.934 4.301   1.00 29.47 ? 86  THR A O   1 
ATOM   685 C CB  . THR A 1 86 ? -16.879 12.911 5.006   1.00 33.65 ? 86  THR A CB  1 
ATOM   686 O OG1 . THR A 1 86 ? -16.379 13.633 6.125   1.00 34.80 ? 86  THR A OG1 1 
ATOM   687 C CG2 . THR A 1 86 ? -16.496 11.443 5.043   1.00 35.40 ? 86  THR A CG2 1 
ATOM   688 N N   . PRO A 1 87 ? -18.012 15.300 3.025   1.00 29.59 ? 87  PRO A N   1 
ATOM   689 C CA  . PRO A 1 87 ? -18.513 16.653 2.887   1.00 35.31 ? 87  PRO A CA  1 
ATOM   690 C C   . PRO A 1 87 ? -19.126 17.201 4.175   1.00 39.77 ? 87  PRO A C   1 
ATOM   691 O O   . PRO A 1 87 ? -19.461 16.432 5.081   1.00 41.45 ? 87  PRO A O   1 
ATOM   692 C CB  . PRO A 1 87 ? -19.562 16.558 1.766   1.00 34.83 ? 87  PRO A CB  1 
ATOM   693 C CG  . PRO A 1 87 ? -19.498 15.147 1.266   1.00 34.56 ? 87  PRO A CG  1 
ATOM   694 C CD  . PRO A 1 87 ? -18.941 14.345 2.404   1.00 35.02 ? 87  PRO A CD  1 
ATOM   695 N N   . PRO A 1 88 ? -19.253 18.535 4.307   1.00 41.19 ? 88  PRO A N   1 
ATOM   696 C CA  . PRO A 1 88 ? -19.911 19.117 5.459   1.00 44.47 ? 88  PRO A CA  1 
ATOM   697 C C   . PRO A 1 88 ? -21.118 18.290 5.871   1.00 49.37 ? 88  PRO A C   1 
ATOM   698 O O   . PRO A 1 88 ? -22.042 18.112 5.065   1.00 52.58 ? 88  PRO A O   1 
ATOM   699 C CB  . PRO A 1 88 ? -20.268 20.514 4.949   1.00 45.11 ? 88  PRO A CB  1 
ATOM   700 C CG  . PRO A 1 88 ? -19.781 20.573 3.528   1.00 41.32 ? 88  PRO A CG  1 
ATOM   701 C CD  . PRO A 1 88 ? -18.716 19.518 3.405   1.00 38.93 ? 88  PRO A CD  1 
ATOM   702 N N   . THR A 1 89 ? -21.109 17.803 7.107   1.00 57.01 ? 89  THR A N   1 
ATOM   703 C CA  . THR A 1 89 ? -22.174 16.909 7.601   1.00 62.76 ? 89  THR A CA  1 
ATOM   704 C C   . THR A 1 89 ? -23.466 17.662 7.743   1.00 66.58 ? 89  THR A C   1 
ATOM   705 O O   . THR A 1 89 ? -23.494 18.672 8.462   1.00 69.58 ? 89  THR A O   1 
ATOM   706 C CB  . THR A 1 89 ? -21.750 16.313 8.941   1.00 62.13 ? 89  THR A CB  1 
ATOM   707 O OG1 . THR A 1 89 ? -21.858 17.368 9.889   1.00 69.17 ? 89  THR A OG1 1 
ATOM   708 C CG2 . THR A 1 89 ? -20.328 15.786 8.911   1.00 64.85 ? 89  THR A CG2 1 
ATOM   709 N N   . VAL A 1 90 ? -24.516 17.150 7.119   1.00 69.08 ? 90  VAL A N   1 
ATOM   710 C CA  . VAL A 1 90 ? -25.825 17.851 7.159   1.00 71.66 ? 90  VAL A CA  1 
ATOM   711 C C   . VAL A 1 90 ? -26.616 17.364 8.385   1.00 78.41 ? 90  VAL A C   1 
ATOM   712 O O   . VAL A 1 90 ? -26.443 16.181 8.735   1.00 79.94 ? 90  VAL A O   1 
ATOM   713 C CB  . VAL A 1 90 ? -26.571 17.578 5.846   1.00 72.71 ? 90  VAL A CB  1 
ATOM   714 C CG1 . VAL A 1 90 ? -28.071 17.784 6.000   1.00 72.82 ? 90  VAL A CG1 1 
ATOM   715 C CG2 . VAL A 1 90 ? -26.011 18.409 4.701   1.00 69.06 ? 90  VAL A CG2 1 
HETATM 716 O O   . HOH B 2 .  ? -14.424 12.944 7.123   1.00 47.77 ? 201 HOH A O   1 
HETATM 717 O O   . HOH B 2 .  ? -0.914  10.514 -12.725 1.00 47.61 ? 202 HOH A O   1 
HETATM 718 O O   . HOH B 2 .  ? -9.011  31.054 -11.133 1.00 47.01 ? 203 HOH A O   1 
HETATM 719 O O   . HOH B 2 .  ? 2.030   9.763  6.785   1.00 47.65 ? 204 HOH A O   1 
HETATM 720 O O   . HOH B 2 .  ? -3.742  15.310 5.213   1.00 37.35 ? 205 HOH A O   1 
HETATM 721 O O   . HOH B 2 .  ? -16.618 28.665 0.036   1.00 40.20 ? 206 HOH A O   1 
HETATM 722 O O   . HOH B 2 .  ? -2.879  20.707 -15.383 1.00 45.64 ? 207 HOH A O   1 
HETATM 723 O O   . HOH B 2 .  ? -3.277  27.809 -10.570 1.00 46.01 ? 208 HOH A O   1 
HETATM 724 O O   . HOH B 2 .  ? -0.698  21.676 -11.753 1.00 32.87 ? 209 HOH A O   1 
HETATM 725 O O   . HOH B 2 .  ? -29.463 24.403 -3.974  1.00 60.49 ? 210 HOH A O   1 
HETATM 726 O O   . HOH B 2 .  ? -9.421  8.213  -3.544  1.00 34.92 ? 211 HOH A O   1 
HETATM 727 O O   . HOH B 2 .  ? -4.132  11.197 -10.258 1.00 38.65 ? 212 HOH A O   1 
HETATM 728 O O   . HOH B 2 .  ? -20.013 10.035 3.518   1.00 35.57 ? 213 HOH A O   1 
HETATM 729 O O   . HOH B 2 .  ? -0.678  9.136  -0.904  1.00 36.25 ? 214 HOH A O   1 
HETATM 730 O O   . HOH B 2 .  ? -6.507  9.091  -9.032  1.00 43.36 ? 215 HOH A O   1 
HETATM 731 O O   . HOH B 2 .  ? -20.293 14.403 -6.104  1.00 45.09 ? 216 HOH A O   1 
HETATM 732 O O   . HOH B 2 .  ? -9.333  9.094  7.537   1.00 35.66 ? 217 HOH A O   1 
HETATM 733 O O   . HOH B 2 .  ? -13.614 32.062 6.987   1.00 45.11 ? 218 HOH A O   1 
HETATM 734 O O   . HOH B 2 .  ? -18.546 27.697 11.224  1.00 48.57 ? 219 HOH A O   1 
HETATM 735 O O   . HOH B 2 .  ? -0.256  8.887  4.399   1.00 39.95 ? 220 HOH A O   1 
HETATM 736 O O   . HOH B 2 .  ? -6.166  16.309 4.520   1.00 34.02 ? 221 HOH A O   1 
HETATM 737 O O   . HOH B 2 .  ? -15.558 14.938 -12.104 1.00 48.07 ? 222 HOH A O   1 
HETATM 738 O O   . HOH B 2 .  ? -11.718 19.533 5.771   1.00 43.87 ? 223 HOH A O   1 
HETATM 739 O O   . HOH B 2 .  ? -14.724 28.894 13.227  1.00 50.03 ? 224 HOH A O   1 
HETATM 740 O O   . HOH B 2 .  ? -3.422  23.364 -1.184  1.00 45.47 ? 225 HOH A O   1 
HETATM 741 O O   . HOH B 2 .  ? -4.191  31.002 -10.040 1.00 44.04 ? 226 HOH A O   1 
HETATM 742 O O   . HOH B 2 .  ? -13.275 21.958 -10.568 1.00 34.27 ? 227 HOH A O   1 
HETATM 743 O O   . HOH B 2 .  ? -7.155  7.959  -5.154  1.00 41.93 ? 228 HOH A O   1 
HETATM 744 O O   . HOH B 2 .  ? -16.511 13.805 -14.121 1.00 53.85 ? 229 HOH A O   1 
HETATM 745 O O   . HOH B 2 .  ? -0.363  24.148 2.396   1.00 45.30 ? 230 HOH A O   1 
HETATM 746 O O   . HOH B 2 .  ? -4.625  23.941 -12.335 1.00 38.02 ? 231 HOH A O   1 
HETATM 747 O O   . HOH B 2 .  ? -9.490  18.946 6.797   1.00 46.44 ? 232 HOH A O   1 
HETATM 748 O O   . HOH B 2 .  ? -13.153 16.164 5.792   1.00 43.12 ? 233 HOH A O   1 
HETATM 749 O O   . HOH B 2 .  ? -1.763  23.347 -9.811  1.00 44.17 ? 234 HOH A O   1 
HETATM 750 O O   . HOH B 2 .  ? -7.888  17.052 6.281   1.00 52.06 ? 235 HOH A O   1 
HETATM 751 O O   . HOH B 2 .  ? -13.673 15.558 8.469   1.00 55.91 ? 236 HOH A O   1 
HETATM 752 O O   . HOH B 2 .  ? -16.828 31.128 -1.167  1.00 46.56 ? 237 HOH A O   1 
# 
