data_9KJB
# 
_entry.id   9KJB 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   9KJB         pdb_00009kjb 10.2210/pdb9kjb/pdb 
WWPDB D_1300053583 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-04-16 
_pdbx_audit_revision_history.part_number         ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9KJB 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-12 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBJ 
_pdbx_database_status.process_site                    PDBJ 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              xrayleox@cau.ac.kr 
_pdbx_contact_author.name_first         'Hyun ho' 
_pdbx_contact_author.name_last          Park 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-9928-0847 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Kim, D.Y.'  1 ? 
'Park, H.H.' 2 ? 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Proc.Natl.Acad.Sci.USA 
_citation.journal_id_ASTM           PNASA6 
_citation.journal_id_CSD            0040 
_citation.journal_id_ISSN           1091-6490 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            122 
_citation.language                  ? 
_citation.page_first                e2423205122 
_citation.page_last                 e2423205122 
_citation.title                     'AcrIE7 inhibits the CRISPR-Cas system by directly binding to the R-loop single-stranded DNA.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1073/pnas.2423205122 
_citation.pdbx_database_id_PubMed   40178896 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Kim, D.Y.'  1 0009-0006-0682-0044 
primary 'Lee, S.Y.'  2 0000-0003-0444-2079 
primary 'Ha, H.J.'   3 ?                   
primary 'Park, H.H.' 4 0000-0001-9928-0847 
# 
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 AcrIE7 13028.707 1   ? ? ? ? 
2 water   nat water  18.015    100 ? ? ? ? 
# 
_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       
;MIGSEKQVNWAKSIIEKEVEAWEAIGVDVREVAAFLRSISDARVIIDNRNLIHFQSSGISYSLESSPLNSPIFLRRFSAC
SVGFEEIPTALQRIRSVYTAKLLEDELEHHHHHH
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MIGSEKQVNWAKSIIEKEVEAWEAIGVDVREVAAFLRSISDARVIIDNRNLIHFQSSGISYSLESSPLNSPIFLRRFSAC
SVGFEEIPTALQRIRSVYTAKLLEDELEHHHHHH
;
_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   ILE n 
1 3   GLY n 
1 4   SER n 
1 5   GLU n 
1 6   LYS n 
1 7   GLN n 
1 8   VAL n 
1 9   ASN n 
1 10  TRP n 
1 11  ALA n 
1 12  LYS n 
1 13  SER n 
1 14  ILE n 
1 15  ILE n 
1 16  GLU n 
1 17  LYS n 
1 18  GLU n 
1 19  VAL n 
1 20  GLU n 
1 21  ALA n 
1 22  TRP n 
1 23  GLU n 
1 24  ALA n 
1 25  ILE n 
1 26  GLY n 
1 27  VAL n 
1 28  ASP n 
1 29  VAL n 
1 30  ARG n 
1 31  GLU n 
1 32  VAL n 
1 33  ALA n 
1 34  ALA n 
1 35  PHE n 
1 36  LEU n 
1 37  ARG n 
1 38  SER n 
1 39  ILE n 
1 40  SER n 
1 41  ASP n 
1 42  ALA n 
1 43  ARG n 
1 44  VAL n 
1 45  ILE n 
1 46  ILE n 
1 47  ASP n 
1 48  ASN n 
1 49  ARG n 
1 50  ASN n 
1 51  LEU n 
1 52  ILE n 
1 53  HIS n 
1 54  PHE n 
1 55  GLN n 
1 56  SER n 
1 57  SER n 
1 58  GLY n 
1 59  ILE n 
1 60  SER n 
1 61  TYR n 
1 62  SER n 
1 63  LEU n 
1 64  GLU n 
1 65  SER n 
1 66  SER n 
1 67  PRO n 
1 68  LEU n 
1 69  ASN n 
1 70  SER n 
1 71  PRO n 
1 72  ILE n 
1 73  PHE n 
1 74  LEU n 
1 75  ARG n 
1 76  ARG n 
1 77  PHE n 
1 78  SER n 
1 79  ALA n 
1 80  CYS n 
1 81  SER n 
1 82  VAL n 
1 83  GLY n 
1 84  PHE n 
1 85  GLU n 
1 86  GLU n 
1 87  ILE n 
1 88  PRO n 
1 89  THR n 
1 90  ALA n 
1 91  LEU n 
1 92  GLN n 
1 93  ARG n 
1 94  ILE n 
1 95  ARG n 
1 96  SER n 
1 97  VAL n 
1 98  TYR n 
1 99  THR n 
1 100 ALA n 
1 101 LYS n 
1 102 LEU n 
1 103 LEU n 
1 104 GLU n 
1 105 ASP n 
1 106 GLU n 
1 107 LEU n 
1 108 GLU n 
1 109 HIS n 
1 110 HIS n 
1 111 HIS n 
1 112 HIS n 
1 113 HIS n 
1 114 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                   114 
_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      'Pseudomonas aeruginosa' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     287 
_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 BL21(DE3)' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     469008 
_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 
TRP 'L-peptide linking' y TRYPTOPHAN      ? 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE        ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE          ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   MET 1   1   1   MET MET A . n 
A 1 2   ILE 2   2   2   ILE ILE A . n 
A 1 3   GLY 3   3   3   GLY GLY A . n 
A 1 4   SER 4   4   4   SER SER A . n 
A 1 5   GLU 5   5   5   GLU GLU A . n 
A 1 6   LYS 6   6   6   LYS LYS A . n 
A 1 7   GLN 7   7   7   GLN GLN A . n 
A 1 8   VAL 8   8   8   VAL VAL A . n 
A 1 9   ASN 9   9   9   ASN ASN A . n 
A 1 10  TRP 10  10  10  TRP TRP A . n 
A 1 11  ALA 11  11  11  ALA ALA A . n 
A 1 12  LYS 12  12  12  LYS LYS A . n 
A 1 13  SER 13  13  13  SER SER A . n 
A 1 14  ILE 14  14  14  ILE ILE A . n 
A 1 15  ILE 15  15  15  ILE ILE A . n 
A 1 16  GLU 16  16  16  GLU GLU A . n 
A 1 17  LYS 17  17  17  LYS LYS A . n 
A 1 18  GLU 18  18  18  GLU GLU A . n 
A 1 19  VAL 19  19  19  VAL VAL A . n 
A 1 20  GLU 20  20  20  GLU GLU A . n 
A 1 21  ALA 21  21  21  ALA ALA A . n 
A 1 22  TRP 22  22  22  TRP TRP A . n 
A 1 23  GLU 23  23  23  GLU GLU A . n 
A 1 24  ALA 24  24  24  ALA ALA A . n 
A 1 25  ILE 25  25  25  ILE ILE A . n 
A 1 26  GLY 26  26  26  GLY GLY A . n 
A 1 27  VAL 27  27  27  VAL VAL A . n 
A 1 28  ASP 28  28  28  ASP ASP A . n 
A 1 29  VAL 29  29  29  VAL VAL A . n 
A 1 30  ARG 30  30  30  ARG ARG A . n 
A 1 31  GLU 31  31  31  GLU GLU A . n 
A 1 32  VAL 32  32  32  VAL VAL A . n 
A 1 33  ALA 33  33  33  ALA ALA A . n 
A 1 34  ALA 34  34  34  ALA ALA A . n 
A 1 35  PHE 35  35  35  PHE PHE A . n 
A 1 36  LEU 36  36  36  LEU LEU A . n 
A 1 37  ARG 37  37  37  ARG ARG A . n 
A 1 38  SER 38  38  38  SER SER A . n 
A 1 39  ILE 39  39  39  ILE ILE A . n 
A 1 40  SER 40  40  40  SER SER A . n 
A 1 41  ASP 41  41  41  ASP ASP A . n 
A 1 42  ALA 42  42  42  ALA ALA A . n 
A 1 43  ARG 43  43  43  ARG ARG A . n 
A 1 44  VAL 44  44  44  VAL VAL A . n 
A 1 45  ILE 45  45  45  ILE ILE A . n 
A 1 46  ILE 46  46  46  ILE ILE A . n 
A 1 47  ASP 47  47  47  ASP ASP A . n 
A 1 48  ASN 48  48  48  ASN ASN A . n 
A 1 49  ARG 49  49  49  ARG ARG A . n 
A 1 50  ASN 50  50  50  ASN ASN A . n 
A 1 51  LEU 51  51  51  LEU LEU A . n 
A 1 52  ILE 52  52  52  ILE ILE A . n 
A 1 53  HIS 53  53  53  HIS HIS A . n 
A 1 54  PHE 54  54  54  PHE PHE A . n 
A 1 55  GLN 55  55  55  GLN GLN A . n 
A 1 56  SER 56  56  56  SER SER A . n 
A 1 57  SER 57  57  57  SER SER A . n 
A 1 58  GLY 58  58  58  GLY GLY A . n 
A 1 59  ILE 59  59  59  ILE ILE A . n 
A 1 60  SER 60  60  60  SER SER A . n 
A 1 61  TYR 61  61  61  TYR TYR A . n 
A 1 62  SER 62  62  62  SER SER A . n 
A 1 63  LEU 63  63  63  LEU LEU A . n 
A 1 64  GLU 64  64  64  GLU GLU A . n 
A 1 65  SER 65  65  65  SER SER A . n 
A 1 66  SER 66  66  66  SER SER A . n 
A 1 67  PRO 67  67  67  PRO PRO A . n 
A 1 68  LEU 68  68  68  LEU LEU A . n 
A 1 69  ASN 69  69  69  ASN ASN A . n 
A 1 70  SER 70  70  70  SER SER A . n 
A 1 71  PRO 71  71  71  PRO PRO A . n 
A 1 72  ILE 72  72  72  ILE ILE A . n 
A 1 73  PHE 73  73  73  PHE PHE A . n 
A 1 74  LEU 74  74  74  LEU LEU A . n 
A 1 75  ARG 75  75  75  ARG ARG A . n 
A 1 76  ARG 76  76  76  ARG ARG A . n 
A 1 77  PHE 77  77  77  PHE PHE A . n 
A 1 78  SER 78  78  78  SER SER A . n 
A 1 79  ALA 79  79  79  ALA ALA A . n 
A 1 80  CYS 80  80  80  CYS CYS A . n 
A 1 81  SER 81  81  81  SER SER A . n 
A 1 82  VAL 82  82  82  VAL VAL A . n 
A 1 83  GLY 83  83  83  GLY GLY A . n 
A 1 84  PHE 84  84  84  PHE PHE A . n 
A 1 85  GLU 85  85  85  GLU GLU A . n 
A 1 86  GLU 86  86  86  GLU GLU A . n 
A 1 87  ILE 87  87  87  ILE ILE 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  ALA 90  90  90  ALA ALA A . n 
A 1 91  LEU 91  91  91  LEU LEU A . n 
A 1 92  GLN 92  92  92  GLN GLN A . n 
A 1 93  ARG 93  93  93  ARG ARG A . n 
A 1 94  ILE 94  94  94  ILE ILE A . n 
A 1 95  ARG 95  95  95  ARG ARG A . n 
A 1 96  SER 96  96  96  SER SER A . n 
A 1 97  VAL 97  97  97  VAL VAL A . n 
A 1 98  TYR 98  98  98  TYR TYR A . n 
A 1 99  THR 99  99  99  THR THR A . n 
A 1 100 ALA 100 100 100 ALA ALA A . n 
A 1 101 LYS 101 101 101 LYS LYS A . n 
A 1 102 LEU 102 102 102 LEU LEU A . n 
A 1 103 LEU 103 103 103 LEU LEU A . n 
A 1 104 GLU 104 104 104 GLU GLU A . n 
A 1 105 ASP 105 105 105 ASP ASP A . n 
A 1 106 GLU 106 106 ?   ?   ?   A . n 
A 1 107 LEU 107 107 ?   ?   ?   A . n 
A 1 108 GLU 108 108 ?   ?   ?   A . n 
A 1 109 HIS 109 109 ?   ?   ?   A . n 
A 1 110 HIS 110 110 ?   ?   ?   A . n 
A 1 111 HIS 111 111 ?   ?   ?   A . n 
A 1 112 HIS 112 112 ?   ?   ?   A . n 
A 1 113 HIS 113 113 ?   ?   ?   A . n 
A 1 114 HIS 114 114 ?   ?   ?   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 35  HOH HOH A . 
B 2 HOH 2   202 32  HOH HOH A . 
B 2 HOH 3   203 6   HOH HOH A . 
B 2 HOH 4   204 18  HOH HOH A . 
B 2 HOH 5   205 83  HOH HOH A . 
B 2 HOH 6   206 26  HOH HOH A . 
B 2 HOH 7   207 74  HOH HOH A . 
B 2 HOH 8   208 11  HOH HOH A . 
B 2 HOH 9   209 19  HOH HOH A . 
B 2 HOH 10  210 49  HOH HOH A . 
B 2 HOH 11  211 2   HOH HOH A . 
B 2 HOH 12  212 46  HOH HOH A . 
B 2 HOH 13  213 33  HOH HOH A . 
B 2 HOH 14  214 9   HOH HOH A . 
B 2 HOH 15  215 8   HOH HOH A . 
B 2 HOH 16  216 23  HOH HOH A . 
B 2 HOH 17  217 63  HOH HOH A . 
B 2 HOH 18  218 24  HOH HOH A . 
B 2 HOH 19  219 20  HOH HOH A . 
B 2 HOH 20  220 50  HOH HOH A . 
B 2 HOH 21  221 101 HOH HOH A . 
B 2 HOH 22  222 48  HOH HOH A . 
B 2 HOH 23  223 29  HOH HOH A . 
B 2 HOH 24  224 68  HOH HOH A . 
B 2 HOH 25  225 13  HOH HOH A . 
B 2 HOH 26  226 34  HOH HOH A . 
B 2 HOH 27  227 85  HOH HOH A . 
B 2 HOH 28  228 17  HOH HOH A . 
B 2 HOH 29  229 52  HOH HOH A . 
B 2 HOH 30  230 56  HOH HOH A . 
B 2 HOH 31  231 15  HOH HOH A . 
B 2 HOH 32  232 65  HOH HOH A . 
B 2 HOH 33  233 7   HOH HOH A . 
B 2 HOH 34  234 80  HOH HOH A . 
B 2 HOH 35  235 30  HOH HOH A . 
B 2 HOH 36  236 55  HOH HOH A . 
B 2 HOH 37  237 21  HOH HOH A . 
B 2 HOH 38  238 22  HOH HOH A . 
B 2 HOH 39  239 99  HOH HOH A . 
B 2 HOH 40  240 47  HOH HOH A . 
B 2 HOH 41  241 12  HOH HOH A . 
B 2 HOH 42  242 28  HOH HOH A . 
B 2 HOH 43  243 70  HOH HOH A . 
B 2 HOH 44  244 43  HOH HOH A . 
B 2 HOH 45  245 1   HOH HOH A . 
B 2 HOH 46  246 5   HOH HOH A . 
B 2 HOH 47  247 88  HOH HOH A . 
B 2 HOH 48  248 10  HOH HOH A . 
B 2 HOH 49  249 82  HOH HOH A . 
B 2 HOH 50  250 78  HOH HOH A . 
B 2 HOH 51  251 38  HOH HOH A . 
B 2 HOH 52  252 54  HOH HOH A . 
B 2 HOH 53  253 44  HOH HOH A . 
B 2 HOH 54  254 42  HOH HOH A . 
B 2 HOH 55  255 86  HOH HOH A . 
B 2 HOH 56  256 14  HOH HOH A . 
B 2 HOH 57  257 71  HOH HOH A . 
B 2 HOH 58  258 25  HOH HOH A . 
B 2 HOH 59  259 57  HOH HOH A . 
B 2 HOH 60  260 41  HOH HOH A . 
B 2 HOH 61  261 59  HOH HOH A . 
B 2 HOH 62  262 69  HOH HOH A . 
B 2 HOH 63  263 64  HOH HOH A . 
B 2 HOH 64  264 75  HOH HOH A . 
B 2 HOH 65  265 3   HOH HOH A . 
B 2 HOH 66  266 61  HOH HOH A . 
B 2 HOH 67  267 31  HOH HOH A . 
B 2 HOH 68  268 4   HOH HOH A . 
B 2 HOH 69  269 62  HOH HOH A . 
B 2 HOH 70  270 16  HOH HOH A . 
B 2 HOH 71  271 95  HOH HOH A . 
B 2 HOH 72  272 58  HOH HOH A . 
B 2 HOH 73  273 40  HOH HOH A . 
B 2 HOH 74  274 87  HOH HOH A . 
B 2 HOH 75  275 90  HOH HOH A . 
B 2 HOH 76  276 27  HOH HOH A . 
B 2 HOH 77  277 91  HOH HOH A . 
B 2 HOH 78  278 72  HOH HOH A . 
B 2 HOH 79  279 76  HOH HOH A . 
B 2 HOH 80  280 39  HOH HOH A . 
B 2 HOH 81  281 66  HOH HOH A . 
B 2 HOH 82  282 53  HOH HOH A . 
B 2 HOH 83  283 102 HOH HOH A . 
B 2 HOH 84  284 60  HOH HOH A . 
B 2 HOH 85  285 100 HOH HOH A . 
B 2 HOH 86  286 96  HOH HOH A . 
B 2 HOH 87  287 79  HOH HOH A . 
B 2 HOH 88  288 84  HOH HOH A . 
B 2 HOH 89  289 36  HOH HOH A . 
B 2 HOH 90  290 97  HOH HOH A . 
B 2 HOH 91  291 77  HOH HOH A . 
B 2 HOH 92  292 45  HOH HOH A . 
B 2 HOH 93  293 73  HOH HOH A . 
B 2 HOH 94  294 92  HOH HOH A . 
B 2 HOH 95  295 37  HOH HOH A . 
B 2 HOH 96  296 94  HOH HOH A . 
B 2 HOH 97  297 81  HOH HOH A . 
B 2 HOH 98  298 98  HOH HOH A . 
B 2 HOH 99  299 51  HOH HOH A . 
B 2 HOH 100 300 89  HOH HOH A . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? 1.20.1_4487 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .           2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .           3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? .           4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  120.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9KJB 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     59.450 
_cell.length_a_esd                 ? 
_cell.length_b                     59.450 
_cell.length_b_esd                 ? 
_cell.length_c                     63.880 
_cell.length_c_esd                 ? 
_cell.volume                       195523.632 
_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                         9KJB 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                173 
_symmetry.space_group_name_Hall            'P 6c' 
_symmetry.space_group_name_H-M             'P 63' 
_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                   9KJB 
_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             2.50 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          50.82 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    
'22% (w/v) Poly (acrylic acid sodium salt) 2100, 0.1 M HEPES pH 6.3, 0.1 M Sodium malonate dibasic monohydrate, 30% methanol' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293.15 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     125 
_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 EIGER X 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         2024-03-22 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.000 
_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                        'PAL/PLS BEAMLINE 5C (4A)' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.000 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   '5C (4A)' 
_diffrn_source.pdbx_synchrotron_site       PAL/PLS 
# 
_reflns.B_iso_Wilson_estimate                          21.09 
_reflns.entry_id                                       9KJB 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.11 
_reflns.d_resolution_low                               26.95 
_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                                     153965 
_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                           99.88 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                20.3 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          32.47 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    2.11 
_reflns_shell.d_res_low                                     2.189 
_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                             7409 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.999 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_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                               24.73 
_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                                 9KJB 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            2.11 
_refine.ls_d_res_low                             26.95 
_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                     7410 
_refine.ls_number_reflns_R_free                  757 
_refine.ls_number_reflns_R_work                  6653 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.95 
_refine.ls_percent_reflns_R_free                 10.22 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1921 
_refine.ls_R_factor_R_free                       0.2332 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1874 
_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                          1.39 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      AlphaFold 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.1000 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 24.4598 
_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                            0.2312 
_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                       2.11 
_refine_hist.d_res_low                        26.95 
_refine_hist.number_atoms_solvent             100 
_refine_hist.number_atoms_total               932 
_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        832 
_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' ? 0.0078 ? 846  ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.8931 ? 1143 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0460 ? 131  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0076 ? 146  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 5.2423 ? 114  ? f_dihedral_angle_d ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 2.11 2.28  . . 155 1322 99.73  . . . . 0.1926 . . . . . . . . . . . 0.2622 
'X-RAY DIFFRACTION' 2.28 2.51  . . 150 1319 100.00 . . . . 0.1871 . . . . . . . . . . . 0.2473 
'X-RAY DIFFRACTION' 2.51 2.87  . . 148 1328 100.00 . . . . 0.2216 . . . . . . . . . . . 0.2379 
'X-RAY DIFFRACTION' 2.87 3.61  . . 154 1321 100.00 . . . . 0.1970 . . . . . . . . . . . 0.2536 
'X-RAY DIFFRACTION' 3.61 26.95 . . 150 1363 100.00 . . . . 0.1638 . . . . . . . . . . . 0.2010 
# 
_struct.entry_id                     9KJB 
_struct.title                        'Crystal structure of Anti-CRISPR AcrIE7' 
_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        9KJB 
_struct_keywords.text            'AcrIE7, anti-CRISPR protein, Type I-E CRISPR Cas system, IMMUNE SYSTEM' 
_struct_keywords.pdbx_keywords   'IMMUNE SYSTEM' 
# 
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                    PDB 
_struct_ref.db_code                    9KJB 
_struct_ref.pdbx_db_accession          9KJB 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   ? 
_struct_ref.pdbx_align_begin           1 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9KJB 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 114 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             9KJB 
_struct_ref_seq.db_align_beg                  1 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  114 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       1 
_struct_ref_seq.pdbx_auth_seq_align_end       114 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 0    ? 
1 MORE         0    ? 
1 'SSA (A^2)'  6290 ? 
# 
_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_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 4  ? ALA A 24  ? SER A 4  ALA A 24  1 ? 21 
HELX_P HELX_P2  AA2 VAL A 29 ? ILE A 39  ? VAL A 29 ILE A 39  1 ? 11 
HELX_P HELX_P3  AA3 ASP A 41 ? ASN A 48  ? ASP A 41 ASN A 48  1 ? 8  
HELX_P HELX_P4  AA4 ASN A 48 ? HIS A 53  ? ASN A 48 HIS A 53  1 ? 6  
HELX_P HELX_P5  AA5 GLY A 58 ? SER A 66  ? GLY A 58 SER A 66  1 ? 9  
HELX_P HELX_P6  AA6 PRO A 67 ? ASN A 69  ? PRO A 67 ASN A 69  5 ? 3  
HELX_P HELX_P7  AA7 SER A 70 ? ARG A 75  ? SER A 70 ARG A 75  1 ? 6  
HELX_P HELX_P8  AA8 ARG A 76 ? SER A 78  ? ARG A 76 SER A 78  5 ? 3  
HELX_P HELX_P9  AA9 GLY A 83 ? GLU A 85  ? GLY A 83 GLU A 85  5 ? 3  
HELX_P HELX_P10 AB1 GLU A 86 ? ASP A 105 ? GLU A 86 ASP A 105 1 ? 20 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_pdbx_entry_details.entry_id                   9KJB 
_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 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    CYS 
_pdbx_validate_torsion.auth_asym_id    A 
_pdbx_validate_torsion.auth_seq_id     80 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -146.66 
_pdbx_validate_torsion.psi             36.63 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1 x,y,z        
2 x-y,x,z+1/2  
3 y,-x+y,z+1/2 
4 -y,x-y,z     
5 -x+y,-x,z    
6 -x,-y,z+1/2  
# 
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 GLU 106 ? A GLU 106 
2 1 Y 1 A LEU 107 ? A LEU 107 
3 1 Y 1 A GLU 108 ? A GLU 108 
4 1 Y 1 A HIS 109 ? A HIS 109 
5 1 Y 1 A HIS 110 ? A HIS 110 
6 1 Y 1 A HIS 111 ? A HIS 111 
7 1 Y 1 A HIS 112 ? A HIS 112 
8 1 Y 1 A HIS 113 ? A HIS 113 
9 1 Y 1 A HIS 114 ? A HIS 114 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
GLN N    N N N 88  
GLN CA   C N S 89  
GLN C    C N N 90  
GLN O    O N N 91  
GLN CB   C N N 92  
GLN CG   C N N 93  
GLN CD   C N N 94  
GLN OE1  O N N 95  
GLN NE2  N N N 96  
GLN OXT  O N N 97  
GLN H    H N N 98  
GLN H2   H N N 99  
GLN HA   H N N 100 
GLN HB2  H N N 101 
GLN HB3  H N N 102 
GLN HG2  H N N 103 
GLN HG3  H N N 104 
GLN HE21 H N N 105 
GLN HE22 H N N 106 
GLN HXT  H N N 107 
GLU N    N N N 108 
GLU CA   C N S 109 
GLU C    C N N 110 
GLU O    O N N 111 
GLU CB   C N N 112 
GLU CG   C N N 113 
GLU CD   C N N 114 
GLU OE1  O N N 115 
GLU OE2  O N N 116 
GLU OXT  O N N 117 
GLU H    H N N 118 
GLU H2   H N N 119 
GLU HA   H N N 120 
GLU HB2  H N N 121 
GLU HB3  H N N 122 
GLU HG2  H N N 123 
GLU HG3  H N N 124 
GLU HE2  H N N 125 
GLU HXT  H N N 126 
GLY N    N N N 127 
GLY CA   C N N 128 
GLY C    C N N 129 
GLY O    O N N 130 
GLY OXT  O N N 131 
GLY H    H N N 132 
GLY H2   H N N 133 
GLY HA2  H N N 134 
GLY HA3  H N N 135 
GLY HXT  H N N 136 
HIS N    N N N 137 
HIS CA   C N S 138 
HIS C    C N N 139 
HIS O    O N N 140 
HIS CB   C N N 141 
HIS CG   C Y N 142 
HIS ND1  N Y N 143 
HIS CD2  C Y N 144 
HIS CE1  C Y N 145 
HIS NE2  N Y N 146 
HIS OXT  O N N 147 
HIS H    H N N 148 
HIS H2   H N N 149 
HIS HA   H N N 150 
HIS HB2  H N N 151 
HIS HB3  H N N 152 
HIS HD1  H N N 153 
HIS HD2  H N N 154 
HIS HE1  H N N 155 
HIS HE2  H N N 156 
HIS HXT  H N N 157 
HOH O    O N N 158 
HOH H1   H N N 159 
HOH H2   H N N 160 
ILE N    N N N 161 
ILE CA   C N S 162 
ILE C    C N N 163 
ILE O    O N N 164 
ILE CB   C N S 165 
ILE CG1  C N N 166 
ILE CG2  C N N 167 
ILE CD1  C N N 168 
ILE OXT  O N N 169 
ILE H    H N N 170 
ILE H2   H N N 171 
ILE HA   H N N 172 
ILE HB   H N N 173 
ILE HG12 H N N 174 
ILE HG13 H N N 175 
ILE HG21 H N N 176 
ILE HG22 H N N 177 
ILE HG23 H N N 178 
ILE HD11 H N N 179 
ILE HD12 H N N 180 
ILE HD13 H N N 181 
ILE HXT  H N N 182 
LEU N    N N N 183 
LEU CA   C N S 184 
LEU C    C N N 185 
LEU O    O N N 186 
LEU CB   C N N 187 
LEU CG   C N N 188 
LEU CD1  C N N 189 
LEU CD2  C N N 190 
LEU OXT  O N N 191 
LEU H    H N N 192 
LEU H2   H N N 193 
LEU HA   H N N 194 
LEU HB2  H N N 195 
LEU HB3  H N N 196 
LEU HG   H N N 197 
LEU HD11 H N N 198 
LEU HD12 H N N 199 
LEU HD13 H N N 200 
LEU HD21 H N N 201 
LEU HD22 H N N 202 
LEU HD23 H N N 203 
LEU HXT  H N N 204 
LYS N    N N N 205 
LYS CA   C N S 206 
LYS C    C N N 207 
LYS O    O N N 208 
LYS CB   C N N 209 
LYS CG   C N N 210 
LYS CD   C N N 211 
LYS CE   C N N 212 
LYS NZ   N N N 213 
LYS OXT  O N N 214 
LYS H    H N N 215 
LYS H2   H N N 216 
LYS HA   H N N 217 
LYS HB2  H N N 218 
LYS HB3  H N N 219 
LYS HG2  H N N 220 
LYS HG3  H N N 221 
LYS HD2  H N N 222 
LYS HD3  H N N 223 
LYS HE2  H N N 224 
LYS HE3  H N N 225 
LYS HZ1  H N N 226 
LYS HZ2  H N N 227 
LYS HZ3  H N N 228 
LYS HXT  H N N 229 
MET N    N N N 230 
MET CA   C N S 231 
MET C    C N N 232 
MET O    O N N 233 
MET CB   C N N 234 
MET CG   C N N 235 
MET SD   S N N 236 
MET CE   C N N 237 
MET OXT  O N N 238 
MET H    H N N 239 
MET H2   H N N 240 
MET HA   H N N 241 
MET HB2  H N N 242 
MET HB3  H N N 243 
MET HG2  H N N 244 
MET HG3  H N N 245 
MET HE1  H N N 246 
MET HE2  H N N 247 
MET HE3  H N N 248 
MET HXT  H N N 249 
PHE N    N N N 250 
PHE CA   C N S 251 
PHE C    C N N 252 
PHE O    O N N 253 
PHE CB   C N N 254 
PHE CG   C Y N 255 
PHE CD1  C Y N 256 
PHE CD2  C Y N 257 
PHE CE1  C Y N 258 
PHE CE2  C Y N 259 
PHE CZ   C Y N 260 
PHE OXT  O N N 261 
PHE H    H N N 262 
PHE H2   H N N 263 
PHE HA   H N N 264 
PHE HB2  H N N 265 
PHE HB3  H N N 266 
PHE HD1  H N N 267 
PHE HD2  H N N 268 
PHE HE1  H N N 269 
PHE HE2  H N N 270 
PHE HZ   H N N 271 
PHE HXT  H N N 272 
PRO N    N N N 273 
PRO CA   C N S 274 
PRO C    C N N 275 
PRO O    O N N 276 
PRO CB   C N N 277 
PRO CG   C N N 278 
PRO CD   C N N 279 
PRO OXT  O N N 280 
PRO H    H N N 281 
PRO HA   H N N 282 
PRO HB2  H N N 283 
PRO HB3  H N N 284 
PRO HG2  H N N 285 
PRO HG3  H N N 286 
PRO HD2  H N N 287 
PRO HD3  H N N 288 
PRO HXT  H N N 289 
SER N    N N N 290 
SER CA   C N S 291 
SER C    C N N 292 
SER O    O N N 293 
SER CB   C N N 294 
SER OG   O N N 295 
SER OXT  O N N 296 
SER H    H N N 297 
SER H2   H N N 298 
SER HA   H N N 299 
SER HB2  H N N 300 
SER HB3  H N N 301 
SER HG   H N N 302 
SER HXT  H N N 303 
THR N    N N N 304 
THR CA   C N S 305 
THR C    C N N 306 
THR O    O N N 307 
THR CB   C N R 308 
THR OG1  O N N 309 
THR CG2  C N N 310 
THR OXT  O N N 311 
THR H    H N N 312 
THR H2   H N N 313 
THR HA   H N N 314 
THR HB   H N N 315 
THR HG1  H N N 316 
THR HG21 H N N 317 
THR HG22 H N N 318 
THR HG23 H N N 319 
THR HXT  H N N 320 
TRP N    N N N 321 
TRP CA   C N S 322 
TRP C    C N N 323 
TRP O    O N N 324 
TRP CB   C N N 325 
TRP CG   C Y N 326 
TRP CD1  C Y N 327 
TRP CD2  C Y N 328 
TRP NE1  N Y N 329 
TRP CE2  C Y N 330 
TRP CE3  C Y N 331 
TRP CZ2  C Y N 332 
TRP CZ3  C Y N 333 
TRP CH2  C Y N 334 
TRP OXT  O N N 335 
TRP H    H N N 336 
TRP H2   H N N 337 
TRP HA   H N N 338 
TRP HB2  H N N 339 
TRP HB3  H N N 340 
TRP HD1  H N N 341 
TRP HE1  H N N 342 
TRP HE3  H N N 343 
TRP HZ2  H N N 344 
TRP HZ3  H N N 345 
TRP HH2  H N N 346 
TRP HXT  H N N 347 
TYR N    N N N 348 
TYR CA   C N S 349 
TYR C    C N N 350 
TYR O    O N N 351 
TYR CB   C N N 352 
TYR CG   C Y N 353 
TYR CD1  C Y N 354 
TYR CD2  C Y N 355 
TYR CE1  C Y N 356 
TYR CE2  C Y N 357 
TYR CZ   C Y N 358 
TYR OH   O N N 359 
TYR OXT  O N N 360 
TYR H    H N N 361 
TYR H2   H N N 362 
TYR HA   H N N 363 
TYR HB2  H N N 364 
TYR HB3  H N N 365 
TYR HD1  H N N 366 
TYR HD2  H N N 367 
TYR HE1  H N N 368 
TYR HE2  H N N 369 
TYR HH   H N N 370 
TYR HXT  H N N 371 
VAL N    N N N 372 
VAL CA   C N S 373 
VAL C    C N N 374 
VAL O    O N N 375 
VAL CB   C N N 376 
VAL CG1  C N N 377 
VAL CG2  C N N 378 
VAL OXT  O N N 379 
VAL H    H N N 380 
VAL H2   H N N 381 
VAL HA   H N N 382 
VAL HB   H N N 383 
VAL HG11 H N N 384 
VAL HG12 H N N 385 
VAL HG13 H N N 386 
VAL HG21 H N N 387 
VAL HG22 H N N 388 
VAL HG23 H N N 389 
VAL HXT  H N N 390 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
HIS N   CA   sing N N 129 
HIS N   H    sing N N 130 
HIS N   H2   sing N N 131 
HIS CA  C    sing N N 132 
HIS CA  CB   sing N N 133 
HIS CA  HA   sing N N 134 
HIS C   O    doub N N 135 
HIS C   OXT  sing N N 136 
HIS CB  CG   sing N N 137 
HIS CB  HB2  sing N N 138 
HIS CB  HB3  sing N N 139 
HIS CG  ND1  sing Y N 140 
HIS CG  CD2  doub Y N 141 
HIS ND1 CE1  doub Y N 142 
HIS ND1 HD1  sing N N 143 
HIS CD2 NE2  sing Y N 144 
HIS CD2 HD2  sing N N 145 
HIS CE1 NE2  sing Y N 146 
HIS CE1 HE1  sing N N 147 
HIS NE2 HE2  sing N N 148 
HIS OXT HXT  sing N N 149 
HOH O   H1   sing N N 150 
HOH O   H2   sing N N 151 
ILE N   CA   sing N N 152 
ILE N   H    sing N N 153 
ILE N   H2   sing N N 154 
ILE CA  C    sing N N 155 
ILE CA  CB   sing N N 156 
ILE CA  HA   sing N N 157 
ILE C   O    doub N N 158 
ILE C   OXT  sing N N 159 
ILE CB  CG1  sing N N 160 
ILE CB  CG2  sing N N 161 
ILE CB  HB   sing N N 162 
ILE CG1 CD1  sing N N 163 
ILE CG1 HG12 sing N N 164 
ILE CG1 HG13 sing N N 165 
ILE CG2 HG21 sing N N 166 
ILE CG2 HG22 sing N N 167 
ILE CG2 HG23 sing N N 168 
ILE CD1 HD11 sing N N 169 
ILE CD1 HD12 sing N N 170 
ILE CD1 HD13 sing N N 171 
ILE OXT HXT  sing N N 172 
LEU N   CA   sing N N 173 
LEU N   H    sing N N 174 
LEU N   H2   sing N N 175 
LEU CA  C    sing N N 176 
LEU CA  CB   sing N N 177 
LEU CA  HA   sing N N 178 
LEU C   O    doub N N 179 
LEU C   OXT  sing N N 180 
LEU CB  CG   sing N N 181 
LEU CB  HB2  sing N N 182 
LEU CB  HB3  sing N N 183 
LEU CG  CD1  sing N N 184 
LEU CG  CD2  sing N N 185 
LEU CG  HG   sing N N 186 
LEU CD1 HD11 sing N N 187 
LEU CD1 HD12 sing N N 188 
LEU CD1 HD13 sing N N 189 
LEU CD2 HD21 sing N N 190 
LEU CD2 HD22 sing N N 191 
LEU CD2 HD23 sing N N 192 
LEU OXT HXT  sing N N 193 
LYS N   CA   sing N N 194 
LYS N   H    sing N N 195 
LYS N   H2   sing N N 196 
LYS CA  C    sing N N 197 
LYS CA  CB   sing N N 198 
LYS CA  HA   sing N N 199 
LYS C   O    doub N N 200 
LYS C   OXT  sing N N 201 
LYS CB  CG   sing N N 202 
LYS CB  HB2  sing N N 203 
LYS CB  HB3  sing N N 204 
LYS CG  CD   sing N N 205 
LYS CG  HG2  sing N N 206 
LYS CG  HG3  sing N N 207 
LYS CD  CE   sing N N 208 
LYS CD  HD2  sing N N 209 
LYS CD  HD3  sing N N 210 
LYS CE  NZ   sing N N 211 
LYS CE  HE2  sing N N 212 
LYS CE  HE3  sing N N 213 
LYS NZ  HZ1  sing N N 214 
LYS NZ  HZ2  sing N N 215 
LYS NZ  HZ3  sing N N 216 
LYS OXT HXT  sing N N 217 
MET N   CA   sing N N 218 
MET N   H    sing N N 219 
MET N   H2   sing N N 220 
MET CA  C    sing N N 221 
MET CA  CB   sing N N 222 
MET CA  HA   sing N N 223 
MET C   O    doub N N 224 
MET C   OXT  sing N N 225 
MET CB  CG   sing N N 226 
MET CB  HB2  sing N N 227 
MET CB  HB3  sing N N 228 
MET CG  SD   sing N N 229 
MET CG  HG2  sing N N 230 
MET CG  HG3  sing N N 231 
MET SD  CE   sing N N 232 
MET CE  HE1  sing N N 233 
MET CE  HE2  sing N N 234 
MET CE  HE3  sing N N 235 
MET OXT HXT  sing N N 236 
PHE N   CA   sing N N 237 
PHE N   H    sing N N 238 
PHE N   H2   sing N N 239 
PHE CA  C    sing N N 240 
PHE CA  CB   sing N N 241 
PHE CA  HA   sing N N 242 
PHE C   O    doub N N 243 
PHE C   OXT  sing N N 244 
PHE CB  CG   sing N N 245 
PHE CB  HB2  sing N N 246 
PHE CB  HB3  sing N N 247 
PHE CG  CD1  doub Y N 248 
PHE CG  CD2  sing Y N 249 
PHE CD1 CE1  sing Y N 250 
PHE CD1 HD1  sing N N 251 
PHE CD2 CE2  doub Y N 252 
PHE CD2 HD2  sing N N 253 
PHE CE1 CZ   doub Y N 254 
PHE CE1 HE1  sing N N 255 
PHE CE2 CZ   sing Y N 256 
PHE CE2 HE2  sing N N 257 
PHE CZ  HZ   sing N N 258 
PHE OXT HXT  sing N N 259 
PRO N   CA   sing N N 260 
PRO N   CD   sing N N 261 
PRO N   H    sing N N 262 
PRO CA  C    sing N N 263 
PRO CA  CB   sing N N 264 
PRO CA  HA   sing N N 265 
PRO C   O    doub N N 266 
PRO C   OXT  sing N N 267 
PRO CB  CG   sing N N 268 
PRO CB  HB2  sing N N 269 
PRO CB  HB3  sing N N 270 
PRO CG  CD   sing N N 271 
PRO CG  HG2  sing N N 272 
PRO CG  HG3  sing N N 273 
PRO CD  HD2  sing N N 274 
PRO CD  HD3  sing N N 275 
PRO OXT HXT  sing N N 276 
SER N   CA   sing N N 277 
SER N   H    sing N N 278 
SER N   H2   sing N N 279 
SER CA  C    sing N N 280 
SER CA  CB   sing N N 281 
SER CA  HA   sing N N 282 
SER C   O    doub N N 283 
SER C   OXT  sing N N 284 
SER CB  OG   sing N N 285 
SER CB  HB2  sing N N 286 
SER CB  HB3  sing N N 287 
SER OG  HG   sing N N 288 
SER OXT HXT  sing N N 289 
THR N   CA   sing N N 290 
THR N   H    sing N N 291 
THR N   H2   sing N N 292 
THR CA  C    sing N N 293 
THR CA  CB   sing N N 294 
THR CA  HA   sing N N 295 
THR C   O    doub N N 296 
THR C   OXT  sing N N 297 
THR CB  OG1  sing N N 298 
THR CB  CG2  sing N N 299 
THR CB  HB   sing N N 300 
THR OG1 HG1  sing N N 301 
THR CG2 HG21 sing N N 302 
THR CG2 HG22 sing N N 303 
THR CG2 HG23 sing N N 304 
THR OXT HXT  sing N N 305 
TRP N   CA   sing N N 306 
TRP N   H    sing N N 307 
TRP N   H2   sing N N 308 
TRP CA  C    sing N N 309 
TRP CA  CB   sing N N 310 
TRP CA  HA   sing N N 311 
TRP C   O    doub N N 312 
TRP C   OXT  sing N N 313 
TRP CB  CG   sing N N 314 
TRP CB  HB2  sing N N 315 
TRP CB  HB3  sing N N 316 
TRP CG  CD1  doub Y N 317 
TRP CG  CD2  sing Y N 318 
TRP CD1 NE1  sing Y N 319 
TRP CD1 HD1  sing N N 320 
TRP CD2 CE2  doub Y N 321 
TRP CD2 CE3  sing Y N 322 
TRP NE1 CE2  sing Y N 323 
TRP NE1 HE1  sing N N 324 
TRP CE2 CZ2  sing Y N 325 
TRP CE3 CZ3  doub Y N 326 
TRP CE3 HE3  sing N N 327 
TRP CZ2 CH2  doub Y N 328 
TRP CZ2 HZ2  sing N N 329 
TRP CZ3 CH2  sing Y N 330 
TRP CZ3 HZ3  sing N N 331 
TRP CH2 HH2  sing N N 332 
TRP OXT HXT  sing N N 333 
TYR N   CA   sing N N 334 
TYR N   H    sing N N 335 
TYR N   H2   sing N N 336 
TYR CA  C    sing N N 337 
TYR CA  CB   sing N N 338 
TYR CA  HA   sing N N 339 
TYR C   O    doub N N 340 
TYR C   OXT  sing N N 341 
TYR CB  CG   sing N N 342 
TYR CB  HB2  sing N N 343 
TYR CB  HB3  sing N N 344 
TYR CG  CD1  doub Y N 345 
TYR CG  CD2  sing Y N 346 
TYR CD1 CE1  sing Y N 347 
TYR CD1 HD1  sing N N 348 
TYR CD2 CE2  doub Y N 349 
TYR CD2 HD2  sing N N 350 
TYR CE1 CZ   doub Y N 351 
TYR CE1 HE1  sing N N 352 
TYR CE2 CZ   sing Y N 353 
TYR CE2 HE2  sing N N 354 
TYR CZ  OH   sing N N 355 
TYR OH  HH   sing N N 356 
TYR OXT HXT  sing N N 357 
VAL N   CA   sing N N 358 
VAL N   H    sing N N 359 
VAL N   H2   sing N N 360 
VAL CA  C    sing N N 361 
VAL CA  CB   sing N N 362 
VAL CA  HA   sing N N 363 
VAL C   O    doub N N 364 
VAL C   OXT  sing N N 365 
VAL CB  CG1  sing N N 366 
VAL CB  CG2  sing N N 367 
VAL CB  HB   sing N N 368 
VAL CG1 HG11 sing N N 369 
VAL CG1 HG12 sing N N 370 
VAL CG1 HG13 sing N N 371 
VAL CG2 HG21 sing N N 372 
VAL CG2 HG22 sing N N 373 
VAL CG2 HG23 sing N N 374 
VAL OXT HXT  sing N N 375 
# 
_pdbx_audit_support.funding_organization   'National Research Foundation (NRF, Korea)' 
_pdbx_audit_support.country                'Korea, Republic Of' 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'in silico model' 
_pdbx_initial_refinement_model.source_name      AlphaFold 
_pdbx_initial_refinement_model.accession_code   ? 
_pdbx_initial_refinement_model.details          ? 
# 
_space_group.name_H-M_alt     'P 63' 
_space_group.name_Hall        'P 6c' 
_space_group.IT_number        173 
_space_group.crystal_system   hexagonal 
_space_group.id               1 
# 
_atom_sites.entry_id                    9KJB 
_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]   0.016821 
_atom_sites.fract_transf_matrix[1][2]   0.009712 
_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]   0.019423 
_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]   0.015654 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C   ? ? 3.54356 2.42580 ? ? 25.62398 1.50364  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N   ? ? 4.01032 2.96436 ? ? 19.97189 1.75589  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O   ? ? 4.49882 3.47563 ? ? 15.80542 1.70748  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O1- ? ? 5.12366 3.84317 ? ? 3.49406  27.47979 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
S   ? ? 9.55732 6.39887 ? ? 1.23737  29.19336 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1   N N   . MET A 1 1   ? 20.89844 19.22139 32.34199 1.000 21.21662 ?  1   MET A N   1 
ATOM   2   C CA  . MET A 1 1   ? 19.69187 19.99968 32.56330 1.000 18.76209 ?  1   MET A CA  1 
ATOM   3   C C   . MET A 1 1   ? 19.72270 20.49552 34.00223 1.000 26.73805 ?  1   MET A C   1 
ATOM   4   O O   . MET A 1 1   ? 19.92930 19.71602 34.91689 1.000 24.77276 ?  1   MET A O   1 
ATOM   5   C CB  . MET A 1 1   ? 18.43384 19.16016 32.32445 1.000 24.53108 ?  1   MET A CB  1 
ATOM   6   C CG  . MET A 1 1   ? 17.11576 19.88384 32.64309 1.000 20.12603 ?  1   MET A CG  1 
ATOM   7   S SD  . MET A 1 1   ? 15.68071 18.85582 32.32278 1.000 12.01775 ?  1   MET A SD  1 
ATOM   8   C CE  . MET A 1 1   ? 15.91574 18.43161 30.58954 1.000 22.16925 ?  1   MET A CE  1 
ATOM   9   N N   . ILE A 1 2   ? 19.52158 21.75189 34.21554 1.000 23.47900 ?  2   ILE A N   1 
ATOM   10  C CA  . ILE A 1 2   ? 19.55454 22.25053 35.57935 1.000 26.35318 ?  2   ILE A CA  1 
ATOM   11  C C   . ILE A 1 2   ? 18.17754 22.08755 36.19063 1.000 26.65424 ?  2   ILE A C   1 
ATOM   12  O O   . ILE A 1 2   ? 17.14690 22.09087 35.49994 1.000 26.33693 ?  2   ILE A O   1 
ATOM   13  C CB  . ILE A 1 2   ? 20.03824 23.70941 35.62681 1.000 32.54173 ?  2   ILE A CB  1 
ATOM   14  C CG1 . ILE A 1 2   ? 18.88669 24.65237 35.35297 1.000 28.57117 ?  2   ILE A CG1 1 
ATOM   15  C CG2 . ILE A 1 2   ? 21.10964 23.92456 34.58042 1.000 36.45340 ?  2   ILE A CG2 1 
ATOM   16  C CD1 . ILE A 1 2   ? 19.11936 26.00805 35.91208 1.000 33.10599 ?  2   ILE A CD1 1 
ATOM   17  N N   . GLY A 1 3   ? 18.16454 21.91735 37.50453 1.000 21.36452 ?  3   GLY A N   1 
ATOM   18  C CA  . GLY A 1 3   ? 16.94232 21.63333 38.22134 1.000 20.58935 ?  3   GLY A CA  1 
ATOM   19  C C   . GLY A 1 3   ? 17.23329 20.65666 39.33030 1.000 21.36618 ?  3   GLY A C   1 
ATOM   20  O O   . GLY A 1 3   ? 18.32190 20.06511 39.35893 1.000 18.81784 ?  3   GLY A O   1 
ATOM   21  N N   . SER A 1 4   ? 16.30433 20.51132 40.27011 1.000 18.56527 ?  4   SER A N   1 
ATOM   22  C CA  . SER A 1 4   ? 16.45297 19.45817 41.25412 1.000 20.75919 ?  4   SER A CA  1 
ATOM   23  C C   . SER A 1 4   ? 16.27940 18.09769 40.57740 1.000 25.33384 ?  4   SER A C   1 
ATOM   24  O O   . SER A 1 4   ? 15.85221 18.00313 39.42683 1.000 20.98223 ?  4   SER A O   1 
ATOM   25  C CB  . SER A 1 4   ? 15.43522 19.62922 42.37199 1.000 18.02282 ?  4   SER A CB  1 
ATOM   26  O OG  . SER A 1 4   ? 14.11263 19.45187 41.88842 1.000 22.10457 ?  4   SER A OG  1 
ATOM   27  N N   . GLU A 1 5   ? 16.59803 17.02575 41.31158 1.000 21.42014 ?  5   GLU A N   1 
ATOM   28  C CA  . GLU A 1 5   ? 16.43043 15.68958 40.74594 1.000 21.95410 ?  5   GLU A CA  1 
ATOM   29  C C   . GLU A 1 5   ? 14.97133 15.42861 40.38420 1.000 20.12625 ?  5   GLU A C   1 
ATOM   30  O O   . GLU A 1 5   ? 14.67418 14.82447 39.34308 1.000 20.33188 ?  5   GLU A O   1 
ATOM   31  C CB  . GLU A 1 5   ? 16.93899 14.63076 41.72523 1.000 17.25257 ?  5   GLU A CB  1 
ATOM   32  C CG  . GLU A 1 5   ? 17.01358 13.22942 41.12348 1.000 20.39402 ?  5   GLU A CG  1 
ATOM   33  C CD  . GLU A 1 5   ? 18.40689 12.90027 40.60966 1.000 19.76640 ?  5   GLU A CD  1 
ATOM   34  O OE1 . GLU A 1 5   ? 19.23053 13.82657 40.44967 1.000 21.49411 ?  5   GLU A OE1 1 
ATOM   35  O OE2 . GLU A 1 5   ? 18.68112 11.71175 40.36153 1.000 20.99815 -1 5   GLU A OE2 1 
ATOM   36  N N   . LYS A 1 6   ? 14.04727 15.87936 41.23355 1.000 18.92790 ?  6   LYS A N   1 
ATOM   37  C CA  . LYS A 1 6   ? 12.62826 15.73502 40.93532 1.000 21.78045 ?  6   LYS A CA  1 
ATOM   38  C C   . LYS A 1 6   ? 12.25774 16.50822 39.67662 1.000 22.14513 ?  6   LYS A C   1 
ATOM   39  O O   . LYS A 1 6   ? 11.60879 15.97023 38.77361 1.000 23.40359 ?  6   LYS A O   1 
ATOM   40  C CB  . LYS A 1 6   ? 11.79633 16.21545 42.12509 1.000 24.07580 ?  6   LYS A CB  1 
ATOM   41  C CG  . LYS A 1 6   ? 10.32158 15.88842 42.02049 1.000 25.76964 ?  6   LYS A CG  1 
ATOM   42  C CD  . LYS A 1 6   ? 9.59617  16.31578 43.29268 1.000 34.87752 ?  6   LYS A CD  1 
ATOM   43  C CE  . LYS A 1 6   ? 8.41608  17.23662 42.97232 1.000 36.50331 ?  6   LYS A CE  1 
ATOM   44  N NZ  . LYS A 1 6   ? 7.27732  16.48587 42.36246 1.000 48.39116 ?  6   LYS A NZ  1 
ATOM   45  N N   . GLN A 1 7   ? 12.65626 17.78228 39.60887 1.000 20.01500 ?  7   GLN A N   1 
ATOM   46  C CA  . GLN A 1 7   ? 12.32561 18.61173 38.45573 1.000 18.04859 ?  7   GLN A CA  1 
ATOM   47  C C   . GLN A 1 7   ? 12.92492 18.03412 37.18261 1.000 21.93476 ?  7   GLN A C   1 
ATOM   48  O O   . GLN A 1 7   ? 12.25700 17.95952 36.14818 1.000 22.74094 ?  7   GLN A O   1 
ATOM   49  C CB  . GLN A 1 7   ? 12.82873 20.03904 38.66954 1.000 16.03674 ?  7   GLN A CB  1 
ATOM   50  C CG  . GLN A 1 7   ? 12.02730 20.84979 39.65594 1.000 16.27576 ?  7   GLN A CG  1 
ATOM   51  C CD  . GLN A 1 7   ? 12.66619 22.19921 39.94269 1.000 20.38863 ?  7   GLN A CD  1 
ATOM   52  O OE1 . GLN A 1 7   ? 13.88100 22.35282 39.91442 1.000 17.64940 ?  7   GLN A OE1 1 
ATOM   53  N NE2 . GLN A 1 7   ? 11.83959 23.18473 40.21744 1.000 28.39433 ?  7   GLN A NE2 1 
ATOM   54  N N   . VAL A 1 8   ? 14.20063 17.64853 37.23503 1.000 19.63073 ?  8   VAL A N   1 
ATOM   55  C CA  . VAL A 1 8   ? 14.87797 17.12082 36.05606 1.000 17.05083 ?  8   VAL A CA  1 
ATOM   56  C C   . VAL A 1 8   ? 14.22090 15.82619 35.59797 1.000 20.99432 ?  8   VAL A C   1 
ATOM   57  O O   . VAL A 1 8   ? 14.03798 15.59970 34.39426 1.000 17.10489 ?  8   VAL A O   1 
ATOM   58  C CB  . VAL A 1 8   ? 16.37501 16.93195 36.35027 1.000 20.32435 ?  8   VAL A CB  1 
ATOM   59  C CG1 . VAL A 1 8   ? 17.01393 16.00792 35.34106 1.000 24.21868 ?  8   VAL A CG1 1 
ATOM   60  C CG2 . VAL A 1 8   ? 17.08807 18.27912 36.35719 1.000 20.86891 ?  8   VAL A CG2 1 
ATOM   61  N N   . ASN A 1 9   ? 13.83320 14.96543 36.54663 1.000 19.46411 ?  9   ASN A N   1 
ATOM   62  C CA  . ASN A 1 9   ? 13.18968 13.70793 36.17977 1.000 21.44361 ?  9   ASN A CA  1 
ATOM   63  C C   . ASN A 1 9   ? 11.83150 13.96191 35.53436 1.000 23.16250 ?  9   ASN A C   1 
ATOM   64  O O   . ASN A 1 9   ? 11.49110 13.36079 34.50358 1.000 23.77407 ?  9   ASN A O   1 
ATOM   65  C CB  . ASN A 1 9   ? 13.03301 12.81806 37.41326 1.000 22.30465 ?  9   ASN A CB  1 
ATOM   66  C CG  . ASN A 1 9   ? 14.26481 11.96377 37.68650 1.000 22.40045 ?  9   ASN A CG  1 
ATOM   67  O OD1 . ASN A 1 9   ? 15.13240 11.79451 36.83239 1.000 22.19951 ?  9   ASN A OD1 1 
ATOM   68  N ND2 . ASN A 1 9   ? 14.34766 11.43863 38.88907 1.000 20.24863 ?  9   ASN A ND2 1 
ATOM   69  N N   . TRP A 1 10  ? 11.03950 14.84668 36.13765 1.000 22.83795 ?  10  TRP A N   1 
ATOM   70  C CA  . TRP A 1 10  ? 9.75093  15.21407 35.55950 1.000 23.10623 ?  10  TRP A CA  1 
ATOM   71  C C   . TRP A 1 10  ? 9.92642  15.77126 34.15370 1.000 24.31353 ?  10  TRP A C   1 
ATOM   72  O O   . TRP A 1 10  ? 9.25348  15.33248 33.21106 1.000 21.01624 ?  10  TRP A O   1 
ATOM   73  C CB  . TRP A 1 10  ? 9.06271  16.23657 36.45607 1.000 20.02604 ?  10  TRP A CB  1 
ATOM   74  C CG  . TRP A 1 10  ? 7.62190  16.47290 36.15171 1.000 25.96654 ?  10  TRP A CG  1 
ATOM   75  C CD1 . TRP A 1 10  ? 6.84477  15.82816 35.21719 1.000 22.88901 ?  10  TRP A CD1 1 
ATOM   76  C CD2 . TRP A 1 10  ? 6.77027  17.42536 36.79486 1.000 23.63267 ?  10  TRP A CD2 1 
ATOM   77  N NE1 . TRP A 1 10  ? 5.56241  16.32643 35.25256 1.000 24.85419 ?  10  TRP A NE1 1 
ATOM   78  C CE2 . TRP A 1 10  ? 5.49168  17.31151 36.20540 1.000 26.45057 ?  10  TRP A CE2 1 
ATOM   79  C CE3 . TRP A 1 10  ? 6.96696  18.37049 37.80527 1.000 21.47157 ?  10  TRP A CE3 1 
ATOM   80  C CZ2 . TRP A 1 10  ? 4.41627  18.10217 36.60151 1.000 26.76558 ?  10  TRP A CZ2 1 
ATOM   81  C CZ3 . TRP A 1 10  ? 5.89135  19.16001 38.19784 1.000 23.69130 ?  10  TRP A CZ3 1 
ATOM   82  C CH2 . TRP A 1 10  ? 4.63517  19.01758 37.59931 1.000 24.07436 ?  10  TRP A CH2 1 
ATOM   83  N N   . ALA A 1 11  ? 10.85821 16.72193 33.99525 1.000 20.94361 ?  11  ALA A N   1 
ATOM   84  C CA  . ALA A 1 11  ? 11.04785 17.41133 32.72004 1.000 22.53517 ?  11  ALA A CA  1 
ATOM   85  C C   . ALA A 1 11  ? 11.53741 16.46234 31.63969 1.000 22.13733 ?  11  ALA A C   1 
ATOM   86  O O   . ALA A 1 11  ? 11.08630 16.53789 30.49413 1.000 18.44084 ?  11  ALA A O   1 
ATOM   87  C CB  . ALA A 1 11  ? 12.04306 18.56720 32.88712 1.000 20.05493 ?  11  ALA A CB  1 
ATOM   88  N N   . LYS A 1 12  ? 12.48402 15.57669 31.97547 1.000 24.42403 ?  12  LYS A N   1 
ATOM   89  C CA  . LYS A 1 12  ? 12.96819 14.60873 30.99739 1.000 21.20740 ?  12  LYS A CA  1 
ATOM   90  C C   . LYS A 1 12  ? 11.86227 13.65466 30.58653 1.000 22.10964 ?  12  LYS A C   1 
ATOM   91  O O   . LYS A 1 12  ? 11.78116 13.25962 29.41776 1.000 20.70510 ?  12  LYS A O   1 
ATOM   92  C CB  . LYS A 1 12  ? 14.14879 13.81987 31.55691 1.000 24.76129 ?  12  LYS A CB  1 
ATOM   93  C CG  . LYS A 1 12  ? 15.41708 14.61116 31.72200 1.000 24.69243 ?  12  LYS A CG  1 
ATOM   94  C CD  . LYS A 1 12  ? 16.42089 13.74605 32.43600 1.000 26.79611 ?  12  LYS A CD  1 
ATOM   95  C CE  . LYS A 1 12  ? 17.83514 14.25040 32.32596 1.000 23.76555 ?  12  LYS A CE  1 
ATOM   96  N NZ  . LYS A 1 12  ? 18.65917 13.49267 33.34585 1.000 29.61520 ?  12  LYS A NZ  1 
ATOM   97  N N   . SER A 1 13  ? 10.99205 13.27412 31.52660 1.000 20.33945 ?  13  SER A N   1 
ATOM   98  C CA  . SER A 1 13  ? 9.89109  12.39827 31.14242 1.000 23.56902 ?  13  SER A CA  1 
ATOM   99  C C   . SER A 1 13  ? 8.89789  13.11983 30.22351 1.000 25.61768 ?  13  SER A C   1 
ATOM   100 O O   . SER A 1 13  ? 8.43940  12.55191 29.21874 1.000 22.20748 ?  13  SER A O   1 
ATOM   101 C CB  . SER A 1 13  ? 9.23354  11.83543 32.40108 1.000 23.17173 ?  13  SER A CB  1 
ATOM   102 O OG  . SER A 1 13  ? 8.45150  12.80644 33.04230 1.000 32.39176 ?  13  SER A OG  1 
ATOM   103 N N   . ILE A 1 14  ? 8.59565  14.38536 30.52338 1.000 21.03439 ?  14  ILE A N   1 
ATOM   104 C CA  . ILE A 1 14  ? 7.78609  15.20399 29.61885 1.000 20.09145 ?  14  ILE A CA  1 
ATOM   105 C C   . ILE A 1 14  ? 8.41416  15.24931 28.22975 1.000 20.04015 ?  14  ILE A C   1 
ATOM   106 O O   . ILE A 1 14  ? 7.73919  15.03230 27.21165 1.000 21.33693 ?  14  ILE A O   1 
ATOM   107 C CB  . ILE A 1 14  ? 7.60895  16.62466 30.19127 1.000 19.60127 ?  14  ILE A CB  1 
ATOM   108 C CG1 . ILE A 1 14  ? 6.58585  16.61286 31.33187 1.000 22.80267 ?  14  ILE A CG1 1 
ATOM   109 C CG2 . ILE A 1 14  ? 7.21097  17.60753 29.08290 1.000 18.19085 ?  14  ILE A CG2 1 
ATOM   110 C CD1 . ILE A 1 14  ? 6.66978  17.83275 32.23865 1.000 19.49801 ?  14  ILE A CD1 1 
ATOM   111 N N   . ILE A 1 15  ? 9.71490  15.54392 28.16771 1.000 15.90962 ?  15  ILE A N   1 
ATOM   112 C CA  . ILE A 1 15  ? 10.37673 15.75715 26.88201 1.000 18.78023 ?  15  ILE A CA  1 
ATOM   113 C C   . ILE A 1 15  ? 10.40393 14.46530 26.07190 1.000 21.85821 ?  15  ILE A C   1 
ATOM   114 O O   . ILE A 1 15  ? 10.20598 14.47350 24.85146 1.000 21.25529 ?  15  ILE A O   1 
ATOM   115 C CB  . ILE A 1 15  ? 11.79339 16.33162 27.11108 1.000 22.78118 ?  15  ILE A CB  1 
ATOM   116 C CG1 . ILE A 1 15  ? 11.71853 17.82875 27.46438 1.000 17.78369 ?  15  ILE A CG1 1 
ATOM   117 C CG2 . ILE A 1 15  ? 12.68622 16.10788 25.91847 1.000 17.16684 ?  15  ILE A CG2 1 
ATOM   118 C CD1 . ILE A 1 15  ? 11.32217 18.71443 26.28811 1.000 19.13429 ?  15  ILE A CD1 1 
ATOM   119 N N   . GLU A 1 16  ? 10.63256 13.33370 26.73099 1.000 20.34973 ?  16  GLU A N   1 
ATOM   120 C CA  . GLU A 1 16  ? 10.68174 12.08046 25.99046 1.000 23.77910 ?  16  GLU A CA  1 
ATOM   121 C C   . GLU A 1 16  ? 9.29866  11.69556 25.47244 1.000 18.83510 ?  16  GLU A C   1 
ATOM   122 O O   . GLU A 1 16  ? 9.16755  11.24914 24.32527 1.000 21.38364 ?  16  GLU A O   1 
ATOM   123 C CB  . GLU A 1 16  ? 11.28915 10.97917 26.86675 1.000 25.35261 ?  16  GLU A CB  1 
ATOM   124 C CG  . GLU A 1 16  ? 12.83656 11.02214 26.92690 1.000 28.82857 ?  16  GLU A CG  1 
ATOM   125 C CD  . GLU A 1 16  ? 13.49644 11.21428 25.56172 1.000 29.13700 ?  16  GLU A CD  1 
ATOM   126 O OE1 . GLU A 1 16  ? 13.22159 10.39432 24.64900 1.000 30.89809 ?  16  GLU A OE1 1 
ATOM   127 O OE2 . GLU A 1 16  ? 14.28927 12.17775 25.39812 1.000 26.41385 -1 16  GLU A OE2 1 
ATOM   128 N N   . LYS A 1 17  ? 8.24996  11.88813 26.28505 1.000 19.44595 ?  17  LYS A N   1 
ATOM   129 C CA  . LYS A 1 17  ? 6.89098  11.69337 25.78028 1.000 18.51454 ?  17  LYS A CA  1 
ATOM   130 C C   . LYS A 1 17  ? 6.60299  12.57443 24.56255 1.000 22.84699 ?  17  LYS A C   1 
ATOM   131 O O   . LYS A 1 17  ? 5.98394  12.12297 23.58621 1.000 23.23203 ?  17  LYS A O   1 
ATOM   132 C CB  . LYS A 1 17  ? 5.88176  11.97892 26.88755 1.000 25.84596 ?  17  LYS A CB  1 
ATOM   133 C CG  . LYS A 1 17  ? 4.43417  11.93820 26.41609 1.000 35.36902 ?  17  LYS A CG  1 
ATOM   134 C CD  . LYS A 1 17  ? 3.43809  11.85274 27.57406 1.000 45.82290 ?  17  LYS A CD  1 
ATOM   135 C CE  . LYS A 1 17  ? 2.98545  10.40267 27.80424 1.000 46.14841 ?  17  LYS A CE  1 
ATOM   136 N NZ  . LYS A 1 17  ? 4.14242  9.45576  27.97822 1.000 49.30037 ?  17  LYS A NZ  1 
ATOM   137 N N   . GLU A 1 18  ? 7.02582  13.84244 24.60957 1.000 20.80363 ?  18  GLU A N   1 
ATOM   138 C CA  . GLU A 1 18  ? 6.75958  14.75922 23.50159 1.000 20.27223 ?  18  GLU A CA  1 
ATOM   139 C C   . GLU A 1 18  ? 7.47884  14.31061 22.23721 1.000 19.55656 ?  18  GLU A C   1 
ATOM   140 O O   . GLU A 1 18  ? 6.88032  14.26495 21.15284 1.000 17.44526 ?  18  GLU A O   1 
ATOM   141 C CB  . GLU A 1 18  ? 7.17992  16.18118 23.87721 1.000 18.11434 ?  18  GLU A CB  1 
ATOM   142 C CG  . GLU A 1 18  ? 6.26330  16.85592 24.90237 1.000 16.58058 ?  18  GLU A CG  1 
ATOM   143 C CD  . GLU A 1 18  ? 4.79514  16.71753 24.56476 1.000 17.91321 ?  18  GLU A CD  1 
ATOM   144 O OE1 . GLU A 1 18  ? 4.43625  16.96184 23.40093 1.000 19.75072 ?  18  GLU A OE1 1 
ATOM   145 O OE2 . GLU A 1 18  ? 3.98377  16.39901 25.46231 1.000 19.01142 -1 18  GLU A OE2 1 
ATOM   146 N N   . VAL A 1 19  ? 8.76586  13.97362 22.36204 1.000 19.88210 ?  19  VAL A N   1 
ATOM   147 C CA  . VAL A 1 19  ? 9.52426  13.46585 21.22256 1.000 18.02500 ?  19  VAL A CA  1 
ATOM   148 C C   . VAL A 1 19  ? 8.85877  12.22788 20.62391 1.000 23.37335 ?  19  VAL A C   1 
ATOM   149 O O   . VAL A 1 19  ? 8.80628  12.07332 19.39556 1.000 22.91013 ?  19  VAL A O   1 
ATOM   150 C CB  . VAL A 1 19  ? 10.97494 13.17408 21.62556 1.000 20.29903 ?  19  VAL A CB  1 
ATOM   151 C CG1 . VAL A 1 19  ? 11.65573 12.37476 20.51164 1.000 22.63364 ?  19  VAL A CG1 1 
ATOM   152 C CG2 . VAL A 1 19  ? 11.70829 14.45712 21.87214 1.000 21.85393 ?  19  VAL A CG2 1 
ATOM   153 N N   . GLU A 1 20  ? 8.34342  11.32684 21.47366 1.000 18.80893 ?  20  GLU A N   1 
ATOM   154 C CA  . GLU A 1 20  ? 7.62918  10.15908 20.96273 1.000 23.33885 ?  20  GLU A CA  1 
ATOM   155 C C   . GLU A 1 20  ? 6.37967  10.55667 20.17345 1.000 24.08863 ?  20  GLU A C   1 
ATOM   156 O O   . GLU A 1 20  ? 6.08693  9.98575  19.11110 1.000 20.93965 ?  20  GLU A O   1 
ATOM   157 C CB  . GLU A 1 20  ? 7.25691  9.23461  22.11528 1.000 22.77611 ?  20  GLU A CB  1 
ATOM   158 C CG  . GLU A 1 20  ? 6.49555  7.97248  21.70068 1.000 38.85976 ?  20  GLU A CG  1 
ATOM   159 C CD  . GLU A 1 20  ? 5.69003  7.34316  22.84836 1.000 41.46907 ?  20  GLU A CD  1 
ATOM   160 O OE1 . GLU A 1 20  ? 4.91217  8.06402  23.51392 1.000 43.29576 ?  20  GLU A OE1 1 
ATOM   161 O OE2 . GLU A 1 20  ? 5.83483  6.12123  23.08283 1.000 51.86603 -1 20  GLU A OE2 1 
ATOM   162 N N   . ALA A 1 21  ? 5.61165  11.51534 20.68080 1.000 20.18586 ?  21  ALA A N   1 
ATOM   163 C CA  . ALA A 1 21  ? 4.43744  11.93479 19.91995 1.000 21.04902 ?  21  ALA A CA  1 
ATOM   164 C C   . ALA A 1 21  ? 4.84437  12.51999 18.56705 1.000 20.82343 ?  21  ALA A C   1 
ATOM   165 O O   . ALA A 1 21  ? 4.21727  12.22515 17.54386 1.000 23.00061 ?  21  ALA A O   1 
ATOM   166 C CB  . ALA A 1 21  ? 3.59920  12.92785 20.72277 1.000 21.38862 ?  21  ALA A CB  1 
ATOM   167 N N   . TRP A 1 22  ? 5.91728  13.31932 18.52785 1.000 16.32236 ?  22  TRP A N   1 
ATOM   168 C CA  . TRP A 1 22  ? 6.33402  13.87418 17.24261 1.000 19.94051 ?  22  TRP A CA  1 
ATOM   169 C C   . TRP A 1 22  ? 6.82191  12.76850 16.30678 1.000 27.54597 ?  22  TRP A C   1 
ATOM   170 O O   . TRP A 1 22  ? 6.53968  12.79314 15.10098 1.000 25.83024 ?  22  TRP A O   1 
ATOM   171 C CB  . TRP A 1 22  ? 7.41478  14.94004 17.42886 1.000 17.92836 ?  22  TRP A CB  1 
ATOM   172 C CG  . TRP A 1 22  ? 6.88833  16.27624 17.88122 1.000 19.32799 ?  22  TRP A CG  1 
ATOM   173 C CD1 . TRP A 1 22  ? 6.71553  16.69697 19.17529 1.000 16.38387 ?  22  TRP A CD1 1 
ATOM   174 C CD2 . TRP A 1 22  ? 6.47111  17.37203 17.04416 1.000 19.06508 ?  22  TRP A CD2 1 
ATOM   175 N NE1 . TRP A 1 22  ? 6.21476  17.97858 19.19301 1.000 15.15775 ?  22  TRP A NE1 1 
ATOM   176 C CE2 . TRP A 1 22  ? 6.05406  18.41563 17.90130 1.000 19.32885 ?  22  TRP A CE2 1 
ATOM   177 C CE3 . TRP A 1 22  ? 6.38966  17.56035 15.65765 1.000 15.94749 ?  22  TRP A CE3 1 
ATOM   178 C CZ2 . TRP A 1 22  ? 5.57910  19.63620 17.41661 1.000 17.83787 ?  22  TRP A CZ2 1 
ATOM   179 C CZ3 . TRP A 1 22  ? 5.90867  18.76587 15.17688 1.000 16.94590 ?  22  TRP A CZ3 1 
ATOM   180 C CH2 . TRP A 1 22  ? 5.51294  19.79297 16.05610 1.000 16.33958 ?  22  TRP A CH2 1 
ATOM   181 N N   . GLU A 1 23  ? 7.53484  11.78247 16.84204 1.000 20.66004 ?  23  GLU A N   1 
ATOM   182 C CA  . GLU A 1 23  ? 8.06074  10.71640 16.00198 1.000 25.33310 ?  23  GLU A CA  1 
ATOM   183 C C   . GLU A 1 23  ? 6.98434  9.74542  15.55833 1.000 25.79560 ?  23  GLU A C   1 
ATOM   184 O O   . GLU A 1 23  ? 7.24212  8.94448  14.65794 1.000 29.83604 ?  23  GLU A O   1 
ATOM   185 C CB  . GLU A 1 23  ? 9.18694  9.96128  16.72958 1.000 22.17676 ?  23  GLU A CB  1 
ATOM   186 C CG  . GLU A 1 23  ? 10.42598 10.84003 16.92208 1.000 27.04905 ?  23  GLU A CG  1 
ATOM   187 C CD  . GLU A 1 23  ? 11.59831 10.13515 17.57569 1.000 27.12109 ?  23  GLU A CD  1 
ATOM   188 O OE1 . GLU A 1 23  ? 11.39128 9.13747  18.29353 1.000 25.61936 ?  23  GLU A OE1 1 
ATOM   189 O OE2 . GLU A 1 23  ? 12.73728 10.59719 17.37229 1.000 28.67734 -1 23  GLU A OE2 1 
ATOM   190 N N   . ALA A 1 24  ? 5.80046  9.78731  16.16855 1.000 24.62278 ?  24  ALA A N   1 
ATOM   191 C CA  . ALA A 1 24  ? 4.70828  8.94683  15.69269 1.000 25.53096 ?  24  ALA A CA  1 
ATOM   192 C C   . ALA A 1 24  ? 4.01229  9.50625  14.45814 1.000 31.50340 ?  24  ALA A C   1 
ATOM   193 O O   . ALA A 1 24  ? 3.07558  8.86395  13.96980 1.000 31.40548 ?  24  ALA A O   1 
ATOM   194 C CB  . ALA A 1 24  ? 3.66215  8.73764  16.79118 1.000 23.72186 ?  24  ALA A CB  1 
ATOM   195 N N   . ILE A 1 25  ? 4.40649  10.69223 13.96960 1.000 27.17541 ?  25  ILE A N   1 
ATOM   196 C CA  . ILE A 1 25  ? 3.77048  11.24356 12.77342 1.000 24.98257 ?  25  ILE A CA  1 
ATOM   197 C C   . ILE A 1 25  ? 4.11488  10.39306 11.56161 1.000 26.68051 ?  25  ILE A C   1 
ATOM   198 O O   . ILE A 1 25  ? 3.26982  10.14442 10.70060 1.000 29.69397 ?  25  ILE A O   1 
ATOM   199 C CB  . ILE A 1 25  ? 4.18662  12.71086 12.54462 1.000 27.97583 ?  25  ILE A CB  1 
ATOM   200 C CG1 . ILE A 1 25  ? 3.87825  13.59459 13.75046 1.000 25.73544 ?  25  ILE A CG1 1 
ATOM   201 C CG2 . ILE A 1 25  ? 3.50775  13.28363 11.30250 1.000 27.39164 ?  25  ILE A CG2 1 
ATOM   202 C CD1 . ILE A 1 25  ? 4.41217  14.99839 13.56395 1.000 17.11669 ?  25  ILE A CD1 1 
ATOM   203 N N   . GLY A 1 26  ? 5.35823  9.94167  11.47394 1.000 25.66137 ?  26  GLY A N   1 
ATOM   204 C CA  . GLY A 1 26  ? 5.82912  9.23077  10.31133 1.000 28.59832 ?  26  GLY A CA  1 
ATOM   205 C C   . GLY A 1 26  ? 6.55105  10.07871 9.29537  1.000 33.90426 ?  26  GLY A C   1 
ATOM   206 O O   . GLY A 1 26  ? 6.61113  9.68772  8.12009  1.000 32.72259 ?  26  GLY A O   1 
ATOM   207 N N   . VAL A 1 27  ? 7.07655  11.23799 9.69872  1.000 29.00302 ?  27  VAL A N   1 
ATOM   208 C CA  . VAL A 1 27  ? 7.87185  12.09349 8.83319  1.000 24.44576 ?  27  VAL A CA  1 
ATOM   209 C C   . VAL A 1 27  ? 9.10327  12.53424 9.61632  1.000 27.59050 ?  27  VAL A C   1 
ATOM   210 O O   . VAL A 1 27  ? 9.17979  12.39146 10.83990 1.000 28.15376 ?  27  VAL A O   1 
ATOM   211 C CB  . VAL A 1 27  ? 7.08196  13.32336 8.32182  1.000 28.75312 ?  27  VAL A CB  1 
ATOM   212 C CG1 . VAL A 1 27  ? 5.82882  12.89366 7.57130  1.000 29.02838 ?  27  VAL A CG1 1 
ATOM   213 C CG2 . VAL A 1 27  ? 6.72788  14.24628 9.46098  1.000 22.42178 ?  27  VAL A CG2 1 
ATOM   214 N N   . ASP A 1 28  ? 10.07372 13.08005 8.89190  1.000 21.87166 ?  28  ASP A N   1 
ATOM   215 C CA  . ASP A 1 28  ? 11.30135 13.55254 9.51365  1.000 27.43144 ?  28  ASP A CA  1 
ATOM   216 C C   . ASP A 1 28  ? 11.00633 14.68256 10.50021 1.000 27.96086 ?  28  ASP A C   1 
ATOM   217 O O   . ASP A 1 28  ? 10.57981 15.76648 10.09103 1.000 28.88069 ?  28  ASP A O   1 
ATOM   218 C CB  . ASP A 1 28  ? 12.27117 13.99516 8.42623  1.000 29.92930 ?  28  ASP A CB  1 
ATOM   219 C CG  . ASP A 1 28  ? 13.57134 14.52772 8.97579  1.000 33.93559 ?  28  ASP A CG  1 
ATOM   220 O OD1 . ASP A 1 28  ? 13.80784 14.43280 10.19901 1.000 28.41229 ?  28  ASP A OD1 1 
ATOM   221 O OD2 . ASP A 1 28  ? 14.36495 15.04227 8.16294  1.000 33.86427 -1 28  ASP A OD2 1 
ATOM   222 N N   . VAL A 1 29  ? 11.21355 14.43539 11.79967 1.000 21.78238 ?  29  VAL A N   1 
ATOM   223 C CA  . VAL A 1 29  ? 10.97780 15.44017 12.83710 1.000 22.02052 ?  29  VAL A CA  1 
ATOM   224 C C   . VAL A 1 29  ? 12.24021 15.61868 13.66723 1.000 23.86752 ?  29  VAL A C   1 
ATOM   225 O O   . VAL A 1 29  ? 12.17262 15.95616 14.85515 1.000 23.00142 ?  29  VAL A O   1 
ATOM   226 C CB  . VAL A 1 29  ? 9.79190  15.05381 13.74517 1.000 25.02269 ?  29  VAL A CB  1 
ATOM   227 C CG1 . VAL A 1 29  ? 8.46282  15.16403 12.99837 1.000 25.08708 ?  29  VAL A CG1 1 
ATOM   228 C CG2 . VAL A 1 29  ? 9.97743  13.64582 14.30852 1.000 19.29651 ?  29  VAL A CG2 1 
ATOM   229 N N   . ARG A 1 30  ? 13.40164 15.40298 13.04746 1.000 28.65702 ?  30  ARG A N   1 
ATOM   230 C CA  . ARG A 1 30  ? 14.65670 15.36582 13.79742 1.000 26.44216 ?  30  ARG A CA  1 
ATOM   231 C C   . ARG A 1 30  ? 15.02171 16.73440 14.36070 1.000 22.90357 ?  30  ARG A C   1 
ATOM   232 O O   . ARG A 1 30  ? 15.56644 16.83462 15.46348 1.000 24.89733 ?  30  ARG A O   1 
ATOM   233 C CB  . ARG A 1 30  ? 15.77256 14.82863 12.90026 1.000 24.26462 ?  30  ARG A CB  1 
ATOM   234 C CG  . ARG A 1 30  ? 15.66452 13.31371 12.70284 1.000 37.28629 ?  30  ARG A CG  1 
ATOM   235 C CD  . ARG A 1 30  ? 16.06612 12.86469 11.30473 1.000 38.05534 ?  30  ARG A CD  1 
ATOM   236 N NE  . ARG A 1 30  ? 17.43984 13.22064 10.99331 1.000 40.45956 ?  30  ARG A NE  1 
ATOM   237 C CZ  . ARG A 1 30  ? 17.89499 13.45379 9.77204  1.000 43.92725 ?  30  ARG A CZ  1 
ATOM   238 N NH1 . ARG A 1 30  ? 17.10395 13.38053 8.71578  1.000 49.42369 ?  30  ARG A NH1 1 
ATOM   239 N NH2 . ARG A 1 30  ? 19.17600 13.76934 9.60749  1.000 41.08147 ?  30  ARG A NH2 1 
ATOM   240 N N   . GLU A 1 31  ? 14.73652 17.79672 13.61869 1.000 24.23394 ?  31  GLU A N   1 
ATOM   241 C CA  . GLU A 1 31  ? 15.00809 19.14384 14.10613 1.000 23.50665 ?  31  GLU A CA  1 
ATOM   242 C C   . GLU A 1 31  ? 14.18560 19.44561 15.35571 1.000 23.81294 ?  31  GLU A C   1 
ATOM   243 O O   . GLU A 1 31  ? 14.68767 20.03955 16.32190 1.000 24.03988 ?  31  GLU A O   1 
ATOM   244 C CB  . GLU A 1 31  ? 14.70579 20.13941 12.98491 1.000 28.91176 ?  31  GLU A CB  1 
ATOM   245 C CG  . GLU A 1 31  ? 15.39021 21.47377 13.08034 1.000 32.72414 ?  31  GLU A CG  1 
ATOM   246 C CD  . GLU A 1 31  ? 15.28708 22.25840 11.77164 1.000 37.91781 ?  31  GLU A CD  1 
ATOM   247 O OE1 . GLU A 1 31  ? 14.74386 21.71564 10.77959 1.000 39.55966 ?  31  GLU A OE1 1 
ATOM   248 O OE2 . GLU A 1 31  ? 15.73284 23.42445 11.74139 1.000 40.07861 -1 31  GLU A OE2 1 
ATOM   249 N N   . VAL A 1 32  ? 12.92947 18.99863 15.37278 1.000 19.97880 ?  32  VAL A N   1 
ATOM   250 C CA  . VAL A 1 32  ? 12.07647 19.20219 16.53750 1.000 20.28250 ?  32  VAL A CA  1 
ATOM   251 C C   . VAL A 1 32  ? 12.55621 18.35770 17.71989 1.000 20.78817 ?  32  VAL A C   1 
ATOM   252 O O   . VAL A 1 32  ? 12.66565 18.85454 18.84590 1.000 18.80360 ?  32  VAL A O   1 
ATOM   253 C CB  . VAL A 1 32  ? 10.61259 18.90000 16.17524 1.000 20.78649 ?  32  VAL A CB  1 
ATOM   254 C CG1 . VAL A 1 32  ? 9.74734  18.88045 17.42313 1.000 22.90737 ?  32  VAL A CG1 1 
ATOM   255 C CG2 . VAL A 1 32  ? 10.10808 19.95499 15.21658 1.000 23.34042 ?  32  VAL A CG2 1 
ATOM   256 N N   . ALA A 1 33  ? 12.81352 17.06309 17.49270 1.000 22.47025 ?  33  ALA A N   1 
ATOM   257 C CA  . ALA A 1 33  ? 13.34623 16.20464 18.55228 1.000 22.69645 ?  33  ALA A CA  1 
ATOM   258 C C   . ALA A 1 33  ? 14.60761 16.80464 19.16252 1.000 20.82851 ?  33  ALA A C   1 
ATOM   259 O O   . ALA A 1 33  ? 14.75642 16.86556 20.39164 1.000 21.38478 ?  33  ALA A O   1 
ATOM   260 C CB  . ALA A 1 33  ? 13.63830 14.80394 17.99995 1.000 21.09899 ?  33  ALA A CB  1 
ATOM   261 N N   . ALA A 1 34  ? 15.52043 17.26415 18.30411 1.000 18.16327 ?  34  ALA A N   1 
ATOM   262 C CA  . ALA A 1 34  ? 16.76340 17.88000 18.76129 1.000 21.16480 ?  34  ALA A CA  1 
ATOM   263 C C   . ALA A 1 34  ? 16.49398 19.11780 19.61360 1.000 26.03015 ?  34  ALA A C   1 
ATOM   264 O O   . ALA A 1 34  ? 17.07262 19.27840 20.70262 1.000 24.77441 ?  34  ALA A O   1 
ATOM   265 C CB  . ALA A 1 34  ? 17.63506 18.23728 17.55681 1.000 16.97159 ?  34  ALA A CB  1 
ATOM   266 N N   . PHE A 1 35  ? 15.62629 20.02030 19.13031 1.000 22.31643 ?  35  PHE A N   1 
ATOM   267 C CA  . PHE A 1 35  ? 15.32148 21.21225 19.91429 1.000 18.63718 ?  35  PHE A CA  1 
ATOM   268 C C   . PHE A 1 35  ? 14.73642 20.82523 21.26664 1.000 19.69077 ?  35  PHE A C   1 
ATOM   269 O O   . PHE A 1 35  ? 15.18566 21.30345 22.31237 1.000 21.50663 ?  35  PHE A O   1 
ATOM   270 C CB  . PHE A 1 35  ? 14.36052 22.12781 19.15106 1.000 21.03734 ?  35  PHE A CB  1 
ATOM   271 C CG  . PHE A 1 35  ? 13.60940 23.08859 20.03224 1.000 18.16871 ?  35  PHE A CG  1 
ATOM   272 C CD1 . PHE A 1 35  ? 14.24558 24.19096 20.58147 1.000 22.24594 ?  35  PHE A CD1 1 
ATOM   273 C CD2 . PHE A 1 35  ? 12.26996 22.87245 20.33680 1.000 21.89710 ?  35  PHE A CD2 1 
ATOM   274 C CE1 . PHE A 1 35  ? 13.55512 25.07328 21.41828 1.000 17.58328 ?  35  PHE A CE1 1 
ATOM   275 C CE2 . PHE A 1 35  ? 11.57466 23.74508 21.15836 1.000 14.63405 ?  35  PHE A CE2 1 
ATOM   276 C CZ  . PHE A 1 35  ? 12.21964 24.84444 21.70186 1.000 21.61515 ?  35  PHE A CZ  1 
ATOM   277 N N   . LEU A 1 36  ? 13.74206 19.93881 21.26475 1.000 17.20131 ?  36  LEU A N   1 
ATOM   278 C CA  . LEU A 1 36  ? 13.09948 19.55463 22.51691 1.000 20.12794 ?  36  LEU A CA  1 
ATOM   279 C C   . LEU A 1 36  ? 14.12322 19.00696 23.50506 1.000 22.64038 ?  36  LEU A C   1 
ATOM   280 O O   . LEU A 1 36  ? 14.07354 19.32036 24.70198 1.000 19.82064 ?  36  LEU A O   1 
ATOM   281 C CB  . LEU A 1 36  ? 11.99563 18.52631 22.25323 1.000 16.20791 ?  36  LEU A CB  1 
ATOM   282 C CG  . LEU A 1 36  ? 10.70540 19.08429 21.62688 1.000 23.75392 ?  36  LEU A CG  1 
ATOM   283 C CD1 . LEU A 1 36  ? 9.76692  17.96930 21.15606 1.000 16.11141 ?  36  LEU A CD1 1 
ATOM   284 C CD2 . LEU A 1 36  ? 9.97640  20.03345 22.59663 1.000 14.66027 ?  36  LEU A CD2 1 
ATOM   285 N N   . ARG A 1 37  ? 15.06479 18.19801 23.01831 1.000 22.91154 ?  37  ARG A N   1 
ATOM   286 C CA  . ARG A 1 37  ? 16.08283 17.61550 23.88691 1.000 25.83001 ?  37  ARG A CA  1 
ATOM   287 C C   . ARG A 1 37  ? 17.18468 18.59395 24.24797 1.000 23.07711 ?  37  ARG A C   1 
ATOM   288 O O   . ARG A 1 37  ? 17.97372 18.29755 25.15008 1.000 24.12621 ?  37  ARG A O   1 
ATOM   289 C CB  . ARG A 1 37  ? 16.67934 16.38235 23.22200 1.000 23.38640 ?  37  ARG A CB  1 
ATOM   290 C CG  . ARG A 1 37  ? 15.71757 15.20521 23.27880 1.000 24.87253 ?  37  ARG A CG  1 
ATOM   291 C CD  . ARG A 1 37  ? 16.23967 14.00918 22.52770 1.000 25.90840 ?  37  ARG A CD  1 
ATOM   292 N NE  . ARG A 1 37  ? 15.42724 12.83303 22.81237 1.000 27.73962 ?  37  ARG A NE  1 
ATOM   293 C CZ  . ARG A 1 37  ? 15.12620 11.90771 21.91510 1.000 27.65834 ?  37  ARG A CZ  1 
ATOM   294 N NH1 . ARG A 1 37  ? 15.58405 11.97792 20.67584 1.000 28.40303 ?  37  ARG A NH1 1 
ATOM   295 N NH2 . ARG A 1 37  ? 14.35161 10.88591 22.27303 1.000 28.77900 ?  37  ARG A NH2 1 
ATOM   296 N N   . SER A 1 38  ? 17.25155 19.74676 23.57261 1.000 23.20459 ?  38  SER A N   1 
ATOM   297 C CA  . SER A 1 38  ? 18.21856 20.78850 23.90971 1.000 20.33426 ?  38  SER A CA  1 
ATOM   298 C C   . SER A 1 38  ? 17.79097 21.65731 25.08312 1.000 22.11887 ?  38  SER A C   1 
ATOM   299 O O   . SER A 1 38  ? 18.63729 22.36577 25.64430 1.000 23.77236 ?  38  SER A O   1 
ATOM   300 C CB  . SER A 1 38  ? 18.48025 21.68346 22.69087 1.000 21.43465 ?  38  SER A CB  1 
ATOM   301 O OG  . SER A 1 38  ? 17.41971 22.61039 22.49490 1.000 20.51990 ?  38  SER A OG  1 
ATOM   302 N N   . ILE A 1 39  ? 16.51370 21.62859 25.47422 1.000 21.27573 ?  39  ILE A N   1 
ATOM   303 C CA  . ILE A 1 39  ? 16.04998 22.53250 26.51714 1.000 21.80551 ?  39  ILE A CA  1 
ATOM   304 C C   . ILE A 1 39  ? 16.75527 22.19466 27.82372 1.000 21.02080 ?  39  ILE A C   1 
ATOM   305 O O   . ILE A 1 39  ? 16.75415 21.03942 28.27404 1.000 22.06992 ?  39  ILE A O   1 
ATOM   306 C CB  . ILE A 1 39  ? 14.51852 22.48048 26.65020 1.000 19.51951 ?  39  ILE A CB  1 
ATOM   307 C CG1 . ILE A 1 39  ? 13.86862 22.76666 25.28942 1.000 19.98525 ?  39  ILE A CG1 1 
ATOM   308 C CG2 . ILE A 1 39  ? 14.06156 23.53937 27.65518 1.000 14.11831 ?  39  ILE A CG2 1 
ATOM   309 C CD1 . ILE A 1 39  ? 12.35660 22.60222 25.27789 1.000 18.38553 ?  39  ILE A CD1 1 
ATOM   310 N N   . SER A 1 40  ? 17.35095 23.22248 28.43868 1.000 22.73858 ?  40  SER A N   1 
ATOM   311 C CA  . SER A 1 40  ? 18.33724 23.13393 29.51411 1.000 23.55255 ?  40  SER A CA  1 
ATOM   312 C C   . SER A 1 40  ? 17.77268 23.33618 30.91496 1.000 27.67770 ?  40  SER A C   1 
ATOM   313 O O   . SER A 1 40  ? 18.48709 23.06881 31.89162 1.000 22.60333 ?  40  SER A O   1 
ATOM   314 C CB  . SER A 1 40  ? 19.41886 24.20976 29.33330 1.000 23.59051 ?  40  SER A CB  1 
ATOM   315 O OG  . SER A 1 40  ? 19.70784 24.44784 27.97654 1.000 40.00346 ?  40  SER A OG  1 
ATOM   316 N N   . ASP A 1 41  ? 16.55885 23.86561 31.04966 1.000 22.77823 ?  41  ASP A N   1 
ATOM   317 C CA  . ASP A 1 41  ? 16.03756 24.29506 32.34589 1.000 23.62365 ?  41  ASP A CA  1 
ATOM   318 C C   . ASP A 1 41  ? 14.75256 23.53179 32.63329 1.000 25.99883 ?  41  ASP A C   1 
ATOM   319 O O   . ASP A 1 41  ? 13.73585 23.74740 31.95809 1.000 21.94353 ?  41  ASP A O   1 
ATOM   320 C CB  . ASP A 1 41  ? 15.79822 25.80434 32.36892 1.000 23.56270 ?  41  ASP A CB  1 
ATOM   321 C CG  . ASP A 1 41  ? 15.57818 26.33818 33.77706 1.000 29.63904 ?  41  ASP A CG  1 
ATOM   322 O OD1 . ASP A 1 41  ? 14.97490 25.64070 34.63089 1.000 29.08903 ?  41  ASP A OD1 1 
ATOM   323 O OD2 . ASP A 1 41  ? 16.03223 27.46387 34.03654 1.000 40.24995 -1 41  ASP A OD2 1 
ATOM   324 N N   . ALA A 1 42  ? 14.80645 22.64842 33.63982 1.000 16.82810 ?  42  ALA A N   1 
ATOM   325 C CA  . ALA A 1 42  ? 13.66770 21.80020 33.96676 1.000 19.34186 ?  42  ALA A CA  1 
ATOM   326 C C   . ALA A 1 42  ? 12.41878 22.62723 34.28004 1.000 19.26494 ?  42  ALA A C   1 
ATOM   327 O O   . ALA A 1 42  ? 11.29789 22.23519 33.93585 1.000 16.23238 ?  42  ALA A O   1 
ATOM   328 C CB  . ALA A 1 42  ? 14.03639 20.88386 35.13825 1.000 15.09324 ?  42  ALA A CB  1 
ATOM   329 N N   . ARG A 1 43  ? 12.58752 23.77882 34.92459 1.000 20.63598 ?  43  ARG A N   1 
ATOM   330 C CA  . ARG A 1 43  ? 11.42106 24.55830 35.32618 1.000 23.35360 ?  43  ARG A CA  1 
ATOM   331 C C   . ARG A 1 43  ? 10.69623 25.13228 34.11640 1.000 22.26718 ?  43  ARG A C   1 
ATOM   332 O O   . ARG A 1 43  ? 9.46194  25.21086 34.10328 1.000 19.57622 ?  43  ARG A O   1 
ATOM   333 C CB  . ARG A 1 43  ? 11.83457 25.67633 36.28134 1.000 25.81247 ?  43  ARG A CB  1 
ATOM   334 C CG  . ARG A 1 43  ? 10.67757 26.55302 36.72687 1.000 29.25254 ?  43  ARG A CG  1 
ATOM   335 C CD  . ARG A 1 43  ? 11.20138 27.81583 37.39016 1.000 37.55110 ?  43  ARG A CD  1 
ATOM   336 N NE  . ARG A 1 43  ? 11.80128 27.55016 38.69624 1.000 42.36730 ?  43  ARG A NE  1 
ATOM   337 C CZ  . ARG A 1 43  ? 12.77902 28.27261 39.23317 1.000 47.91882 ?  43  ARG A CZ  1 
ATOM   338 N NH1 . ARG A 1 43  ? 13.34433 29.27779 38.57185 1.000 36.54036 ?  43  ARG A NH1 1 
ATOM   339 N NH2 . ARG A 1 43  ? 13.19126 27.98886 40.46780 1.000 38.23237 ?  43  ARG A NH2 1 
ATOM   340 N N   . VAL A 1 44  ? 11.44778 25.53012 33.09132 1.000 20.64516 ?  44  VAL A N   1 
ATOM   341 C CA  . VAL A 1 44  ? 10.84776 26.05003 31.86847 1.000 19.44713 ?  44  VAL A CA  1 
ATOM   342 C C   . VAL A 1 44  ? 10.05837 24.95587 31.13741 1.000 24.89239 ?  44  VAL A C   1 
ATOM   343 O O   . VAL A 1 44  ? 8.95471  25.19749 30.62239 1.000 20.06219 ?  44  VAL A O   1 
ATOM   344 C CB  . VAL A 1 44  ? 11.94640 26.66887 30.98650 1.000 22.19438 ?  44  VAL A CB  1 
ATOM   345 C CG1 . VAL A 1 44  ? 11.38781 27.10035 29.66224 1.000 19.88575 ?  44  VAL A CG1 1 
ATOM   346 C CG2 . VAL A 1 44  ? 12.58991 27.86579 31.70431 1.000 21.68149 ?  44  VAL A CG2 1 
ATOM   347 N N   . ILE A 1 45  ? 10.59617 23.73703 31.08631 1.000 18.55713 ?  45  ILE A N   1 
ATOM   348 C CA  . ILE A 1 45  ? 9.83720  22.62191 30.51808 1.000 18.70730 ?  45  ILE A CA  1 
ATOM   349 C C   . ILE A 1 45  ? 8.56245  22.37724 31.32006 1.000 20.16759 ?  45  ILE A C   1 
ATOM   350 O O   . ILE A 1 45  ? 7.45865  22.26363 30.76064 1.000 16.36608 ?  45  ILE A O   1 
ATOM   351 C CB  . ILE A 1 45  ? 10.71394 21.35822 30.46015 1.000 18.77166 ?  45  ILE A CB  1 
ATOM   352 C CG1 . ILE A 1 45  ? 11.98586 21.65447 29.65045 1.000 17.14728 ?  45  ILE A CG1 1 
ATOM   353 C CG2 . ILE A 1 45  ? 9.88209  20.16817 29.91762 1.000 16.90413 ?  45  ILE A CG2 1 
ATOM   354 C CD1 . ILE A 1 45  ? 12.98220 20.51228 29.57103 1.000 16.71362 ?  45  ILE A CD1 1 
ATOM   355 N N   . ILE A 1 46  ? 8.69635  22.30048 32.64705 1.000 20.17290 ?  46  ILE A N   1 
ATOM   356 C CA  . ILE A 1 46  ? 7.56191  21.93498 33.49059 1.000 21.57370 ?  46  ILE A CA  1 
ATOM   357 C C   . ILE A 1 46  ? 6.46235  22.98759 33.39898 1.000 20.69153 ?  46  ILE A C   1 
ATOM   358 O O   . ILE A 1 46  ? 5.28074  22.66055 33.23731 1.000 18.30894 ?  46  ILE A O   1 
ATOM   359 C CB  . ILE A 1 46  ? 8.02052  21.72985 34.94204 1.000 17.45440 ?  46  ILE A CB  1 
ATOM   360 C CG1 . ILE A 1 46  ? 8.81334  20.42307 35.06881 1.000 24.07954 ?  46  ILE A CG1 1 
ATOM   361 C CG2 . ILE A 1 46  ? 6.82088  21.69768 35.87325 1.000 19.22027 ?  46  ILE A CG2 1 
ATOM   362 C CD1 . ILE A 1 46  ? 9.77971  20.41335 36.27913 1.000 20.66214 ?  46  ILE A CD1 1 
ATOM   363 N N   . ASP A 1 47  ? 6.83653  24.26411 33.50704 1.000 19.64964 ?  47  ASP A N   1 
ATOM   364 C CA  . ASP A 1 47  ? 5.86616  25.34912 33.41895 1.000 24.54983 ?  47  ASP A CA  1 
ATOM   365 C C   . ASP A 1 47  ? 5.14446  25.37175 32.08014 1.000 20.43746 ?  47  ASP A C   1 
ATOM   366 O O   . ASP A 1 47  ? 4.00448  25.83307 32.00717 1.000 22.49378 ?  47  ASP A O   1 
ATOM   367 C CB  . ASP A 1 47  ? 6.55503  26.69926 33.62709 1.000 24.87832 ?  47  ASP A CB  1 
ATOM   368 C CG  . ASP A 1 47  ? 7.00963  26.90237 35.04958 1.000 29.74880 ?  47  ASP A CG  1 
ATOM   369 O OD1 . ASP A 1 47  ? 6.53698  26.13865 35.92310 1.000 26.49857 ?  47  ASP A OD1 1 
ATOM   370 O OD2 . ASP A 1 47  ? 7.82281  27.83174 35.28262 1.000 27.99278 -1 47  ASP A OD2 1 
ATOM   371 N N   . ASN A 1 48  ? 5.78419  24.90853 31.01197 1.000 18.01865 ?  48  ASN A N   1 
ATOM   372 C CA  . ASN A 1 48  ? 5.17843  24.96002 29.68469 1.000 19.12226 ?  48  ASN A CA  1 
ATOM   373 C C   . ASN A 1 48  ? 4.67472  23.61140 29.19839 1.000 19.58130 ?  48  ASN A C   1 
ATOM   374 O O   . ASN A 1 48  ? 4.30747  23.49715 28.02167 1.000 22.32874 ?  48  ASN A O   1 
ATOM   375 C CB  . ASN A 1 48  ? 6.17132  25.52812 28.67487 1.000 16.10549 ?  48  ASN A CB  1 
ATOM   376 C CG  . ASN A 1 48  ? 6.44616  26.99988 28.91047 1.000 20.99375 ?  48  ASN A CG  1 
ATOM   377 O OD1 . ASN A 1 48  ? 5.62981  27.86450 28.55877 1.000 18.47479 ?  48  ASN A OD1 1 
ATOM   378 N ND2 . ASN A 1 48  ? 7.59028  27.29799 29.53520 1.000 18.38840 ?  48  ASN A ND2 1 
ATOM   379 N N   . ARG A 1 49  ? 4.62284  22.60042 30.07471 1.000 18.64392 ?  49  ARG A N   1 
ATOM   380 C CA  . ARG A 1 49  ? 4.34964  21.23309 29.63180 1.000 20.83215 ?  49  ARG A CA  1 
ATOM   381 C C   . ARG A 1 49  ? 2.98770  21.10917 28.95437 1.000 18.11562 ?  49  ARG A C   1 
ATOM   382 O O   . ARG A 1 49  ? 2.83834  20.36604 27.98068 1.000 17.95426 ?  49  ARG A O   1 
ATOM   383 C CB  . ARG A 1 49  ? 4.43564  20.27450 30.81399 1.000 18.49040 ?  49  ARG A CB  1 
ATOM   384 C CG  . ARG A 1 49  ? 3.40737  20.52861 31.91866 1.000 19.14603 ?  49  ARG A CG  1 
ATOM   385 C CD  . ARG A 1 49  ? 3.74044  19.65511 33.11966 1.000 23.33235 ?  49  ARG A CD  1 
ATOM   386 N NE  . ARG A 1 49  ? 2.67445  19.61670 34.10941 1.000 22.03758 ?  49  ARG A NE  1 
ATOM   387 C CZ  . ARG A 1 49  ? 2.44993  20.55048 35.02231 1.000 23.95263 ?  49  ARG A CZ  1 
ATOM   388 N NH1 . ARG A 1 49  ? 3.22804  21.61610 35.13162 1.000 20.55734 ?  49  ARG A NH1 1 
ATOM   389 N NH2 . ARG A 1 49  ? 1.40581  20.41938 35.83667 1.000 24.74822 ?  49  ARG A NH2 1 
ATOM   390 N N   . ASN A 1 50  ? 1.98887  21.83095 29.43922 1.000 17.00301 ?  50  ASN A N   1 
ATOM   391 C CA  . ASN A 1 50  ? 0.66366  21.70440 28.83844 1.000 23.86672 ?  50  ASN A CA  1 
ATOM   392 C C   . ASN A 1 50  ? 0.58131  22.43401 27.50377 1.000 22.84161 ?  50  ASN A C   1 
ATOM   393 O O   . ASN A 1 50  ? -0.03686 21.92823 26.55439 1.000 21.01015 ?  50  ASN A O   1 
ATOM   394 C CB  . ASN A 1 50  ? -0.39707 22.19012 29.82984 1.000 26.58224 ?  50  ASN A CB  1 
ATOM   395 C CG  . ASN A 1 50  ? -0.46503 21.30033 31.07925 1.000 30.89448 ?  50  ASN A CG  1 
ATOM   396 O OD1 . ASN A 1 50  ? -0.25844 20.08057 31.00178 1.000 31.47953 ?  50  ASN A OD1 1 
ATOM   397 N ND2 . ASN A 1 50  ? -0.69552 21.91285 32.23370 1.000 34.28945 ?  50  ASN A ND2 1 
ATOM   398 N N   . LEU A 1 51  ? 1.25496  23.58126 27.38956 1.000 19.96180 ?  51  LEU A N   1 
ATOM   399 C CA  . LEU A 1 51  ? 1.21271  24.36044 26.15042 1.000 18.76565 ?  51  LEU A CA  1 
ATOM   400 C C   . LEU A 1 51  ? 1.93245  23.65711 25.00253 1.000 21.57617 ?  51  LEU A C   1 
ATOM   401 O O   . LEU A 1 51  ? 1.44089  23.65705 23.86652 1.000 19.11735 ?  51  LEU A O   1 
ATOM   402 C CB  . LEU A 1 51  ? 1.83962  25.73039 26.38192 1.000 15.65551 ?  51  LEU A CB  1 
ATOM   403 C CG  . LEU A 1 51  ? 0.96311  26.79336 27.02517 1.000 26.21761 ?  51  LEU A CG  1 
ATOM   404 C CD1 . LEU A 1 51  ? 1.85930  27.87811 27.68566 1.000 24.64241 ?  51  LEU A CD1 1 
ATOM   405 C CD2 . LEU A 1 51  ? 0.02243  27.39256 25.98604 1.000 29.22460 ?  51  LEU A CD2 1 
ATOM   406 N N   . ILE A 1 52  ? 3.11340  23.07990 25.26442 1.000 14.93459 ?  52  ILE A N   1 
ATOM   407 C CA  . ILE A 1 52  ? 3.87844  22.43147 24.19945 1.000 16.33958 ?  52  ILE A CA  1 
ATOM   408 C C   . ILE A 1 52  ? 3.33875  21.06249 23.82899 1.000 17.67380 ?  52  ILE A C   1 
ATOM   409 O O   . ILE A 1 52  ? 3.73440  20.51260 22.78907 1.000 19.79837 ?  52  ILE A O   1 
ATOM   410 C CB  . ILE A 1 52  ? 5.36542  22.22478 24.55294 1.000 16.53033 ?  52  ILE A CB  1 
ATOM   411 C CG1 . ILE A 1 52  ? 5.51320  21.30501 25.75395 1.000 16.41207 ?  52  ILE A CG1 1 
ATOM   412 C CG2 . ILE A 1 52  ? 6.08067  23.54807 24.80317 1.000 16.58003 ?  52  ILE A CG2 1 
ATOM   413 C CD1 . ILE A 1 52  ? 6.94778  20.89982 26.00148 1.000 16.78913 ?  52  ILE A CD1 1 
ATOM   414 N N   . HIS A 1 53  ? 2.46389  20.49450 24.65101 1.000 18.29791 ?  53  HIS A N   1 
ATOM   415 C CA  . HIS A 1 53  ? 2.03273  19.11298 24.47566 1.000 20.56435 ?  53  HIS A CA  1 
ATOM   416 C C   . HIS A 1 53  ? 1.46406  18.88344 23.07614 1.000 23.51658 ?  53  HIS A C   1 
ATOM   417 O O   . HIS A 1 53  ? 0.60838  19.63356 22.60210 1.000 20.31271 ?  53  HIS A O   1 
ATOM   418 C CB  . HIS A 1 53  ? 0.99292  18.76164 25.53817 1.000 21.42161 ?  53  HIS A CB  1 
ATOM   419 C CG  . HIS A 1 53  ? 0.41850  17.39409 25.38220 1.000 25.28089 ?  53  HIS A CG  1 
ATOM   420 N ND1 . HIS A 1 53  ? 1.20504  16.26584 25.28358 1.000 28.48658 ?  53  HIS A ND1 1 
ATOM   421 C CD2 . HIS A 1 53  ? -0.86385 16.97137 25.28698 1.000 24.15324 ?  53  HIS A CD2 1 
ATOM   422 C CE1 . HIS A 1 53  ? 0.43051  15.20495 25.13128 1.000 29.94897 ?  53  HIS A CE1 1 
ATOM   423 N NE2 . HIS A 1 53  ? -0.82942 15.60570 25.13372 1.000 29.39845 ?  53  HIS A NE2 1 
ATOM   424 N N   . PHE A 1 54  ? 1.95710  17.84758 22.41141 1.000 22.09558 ?  54  PHE A N   1 
ATOM   425 C CA  . PHE A 1 54  ? 1.53764  17.50985 21.05659 1.000 24.64998 ?  54  PHE A CA  1 
ATOM   426 C C   . PHE A 1 54  ? 0.38666  16.51771 21.17747 1.000 25.32500 ?  54  PHE A C   1 
ATOM   427 O O   . PHE A 1 54  ? 0.60471  15.31858 21.34334 1.000 28.25624 ?  54  PHE A O   1 
ATOM   428 C CB  . PHE A 1 54  ? 2.71851  16.94079 20.27658 1.000 20.16856 ?  54  PHE A CB  1 
ATOM   429 C CG  . PHE A 1 54  ? 2.44867  16.73628 18.81412 1.000 17.96411 ?  54  PHE A CG  1 
ATOM   430 C CD1 . PHE A 1 54  ? 1.93559  15.53162 18.35150 1.000 20.29916 ?  54  PHE A CD1 1 
ATOM   431 C CD2 . PHE A 1 54  ? 2.70632  17.75019 17.89960 1.000 21.87101 ?  54  PHE A CD2 1 
ATOM   432 C CE1 . PHE A 1 54  ? 1.69765  15.33200 16.99607 1.000 23.47006 ?  54  PHE A CE1 1 
ATOM   433 C CE2 . PHE A 1 54  ? 2.46860  17.56121 16.53728 1.000 18.80328 ?  54  PHE A CE2 1 
ATOM   434 C CZ  . PHE A 1 54  ? 1.97456  16.36001 16.08205 1.000 18.06050 ?  54  PHE A CZ  1 
ATOM   435 N N   . GLN A 1 55  ? -0.84389 17.01124 21.07162 1.000 33.95107 ?  55  GLN A N   1 
ATOM   436 C CA  . GLN A 1 55  ? -2.00006 16.27184 21.57890 1.000 30.66194 ?  55  GLN A CA  1 
ATOM   437 C C   . GLN A 1 55  ? -2.36549 15.10552 20.65962 1.000 34.85703 ?  55  GLN A C   1 
ATOM   438 O O   . GLN A 1 55  ? -1.74200 14.85917 19.61918 1.000 41.34854 ?  55  GLN A O   1 
ATOM   439 C CB  . GLN A 1 55  ? -3.20170 17.20239 21.77047 1.000 34.97444 ?  55  GLN A CB  1 
ATOM   440 C CG  . GLN A 1 55  ? -2.89314 18.66526 22.19468 1.000 26.46142 ?  55  GLN A CG  1 
ATOM   441 C CD  . GLN A 1 55  ? -2.75008 19.61982 21.00043 1.000 31.16442 ?  55  GLN A CD  1 
ATOM   442 O OE1 . GLN A 1 55  ? -1.86212 19.43234 20.16530 1.000 36.88948 ?  55  GLN A OE1 1 
ATOM   443 N NE2 . GLN A 1 55  ? -3.63232 20.63463 20.90631 1.000 20.51584 ?  55  GLN A NE2 1 
ATOM   444 N N   . SER A 1 56  ? -3.41748 14.38550 21.04108 1.000 43.69537 ?  56  SER A N   1 
ATOM   445 C CA  . SER A 1 56  ? -3.72090 13.08899 20.45302 1.000 47.71156 ?  56  SER A CA  1 
ATOM   446 C C   . SER A 1 56  ? -4.98741 13.07046 19.60901 1.000 43.50090 ?  56  SER A C   1 
ATOM   447 O O   . SER A 1 56  ? -5.35281 11.99730 19.11566 1.000 55.33631 ?  56  SER A O   1 
ATOM   448 C CB  . SER A 1 56  ? -3.82870 12.01744 21.55569 1.000 51.94855 ?  56  SER A CB  1 
ATOM   449 O OG  . SER A 1 56  ? -2.61896 11.89268 22.29071 1.000 52.95440 ?  56  SER A OG  1 
ATOM   450 N N   . SER A 1 57  ? -5.67906 14.20300 19.43625 1.000 36.57528 ?  57  SER A N   1 
ATOM   451 C CA  . SER A 1 57  ? -6.89024 14.19104 18.61379 1.000 43.22625 ?  57  SER A CA  1 
ATOM   452 C C   . SER A 1 57  ? -6.57272 13.77091 17.18248 1.000 40.59053 ?  57  SER A C   1 
ATOM   453 O O   . SER A 1 57  ? -7.10049 12.77372 16.67552 1.000 47.71577 ?  57  SER A O   1 
ATOM   454 C CB  . SER A 1 57  ? -7.56375 15.56042 18.62930 1.000 40.68032 ?  57  SER A CB  1 
ATOM   455 O OG  . SER A 1 57  ? -8.74910 15.57171 17.83092 1.000 40.26742 ?  57  SER A OG  1 
ATOM   456 N N   . GLY A 1 58  ? -5.70269 14.52349 16.52278 1.000 34.07749 ?  58  GLY A N   1 
ATOM   457 C CA  . GLY A 1 58  ? -5.28295 14.21791 15.17157 1.000 26.34802 ?  58  GLY A CA  1 
ATOM   458 C C   . GLY A 1 58  ? -4.00889 14.97475 14.89255 1.000 26.57372 ?  58  GLY A C   1 
ATOM   459 O O   . GLY A 1 58  ? -3.71408 15.99396 15.53225 1.000 20.82403 ?  58  GLY A O   1 
ATOM   460 N N   . ILE A 1 59  ? -3.24607 14.45915 13.92726 1.000 21.94672 ?  59  ILE A N   1 
ATOM   461 C CA  . ILE A 1 59  ? -1.93673 15.02957 13.65019 1.000 21.50212 ?  59  ILE A CA  1 
ATOM   462 C C   . ILE A 1 59  ? -2.06684 16.42776 13.06712 1.000 18.15669 ?  59  ILE A C   1 
ATOM   463 O O   . ILE A 1 59  ? -1.33146 17.33686 13.46769 1.000 16.18397 ?  59  ILE A O   1 
ATOM   464 C CB  . ILE A 1 59  ? -1.13034 14.09401 12.73832 1.000 21.42938 ?  59  ILE A CB  1 
ATOM   465 C CG1 . ILE A 1 59  ? -0.72902 12.84734 13.52323 1.000 24.47344 ?  59  ILE A CG1 1 
ATOM   466 C CG2 . ILE A 1 59  ? 0.09738  14.79766 12.16477 1.000 16.23382 ?  59  ILE A CG2 1 
ATOM   467 C CD1 . ILE A 1 59  ? -0.35354 11.64840 12.62659 1.000 26.30750 ?  59  ILE A CD1 1 
ATOM   468 N N   . SER A 1 60  ? -2.98935 16.62900 12.11393 1.000 16.64883 ?  60  SER A N   1 
ATOM   469 C CA  . SER A 1 60  ? -3.11446 17.94415 11.48964 1.000 16.83409 ?  60  SER A CA  1 
ATOM   470 C C   . SER A 1 60  ? -3.39363 18.99917 12.54468 1.000 16.96418 ?  60  SER A C   1 
ATOM   471 O O   . SER A 1 60  ? -2.74841 20.05491 12.57557 1.000 15.68777 ?  60  SER A O   1 
ATOM   472 C CB  . SER A 1 60  ? -4.23488 17.95868 10.44669 1.000 18.09443 ?  60  SER A CB  1 
ATOM   473 O OG  . SER A 1 60  ? -4.04874 16.99687 9.43946  1.000 20.31189 ?  60  SER A OG  1 
ATOM   474 N N   . TYR A 1 61  ? -4.35884 18.72118 13.42854 1.000 16.16462 ?  61  TYR A N   1 
ATOM   475 C CA  . TYR A 1 61  ? -4.72621 19.70076 14.44579 1.000 18.49390 ?  61  TYR A CA  1 
ATOM   476 C C   . TYR A 1 61  ? -3.58691 19.90024 15.44896 1.000 20.22743 ?  61  TYR A C   1 
ATOM   477 O O   . TYR A 1 61  ? -3.30292 21.03565 15.85419 1.000 16.21353 ?  61  TYR A O   1 
ATOM   478 C CB  . TYR A 1 61  ? -6.02396 19.27890 15.14588 1.000 21.72751 ?  61  TYR A CB  1 
ATOM   479 C CG  . TYR A 1 61  ? -6.32642 20.14041 16.35810 1.000 23.39460 ?  61  TYR A CG  1 
ATOM   480 C CD1 . TYR A 1 61  ? -6.48869 21.52129 16.22953 1.000 23.01599 ?  61  TYR A CD1 1 
ATOM   481 C CD2 . TYR A 1 61  ? -6.39842 19.58670 17.62565 1.000 20.13766 ?  61  TYR A CD2 1 
ATOM   482 C CE1 . TYR A 1 61  ? -6.73996 22.31768 17.32233 1.000 18.91833 ?  61  TYR A CE1 1 
ATOM   483 C CE2 . TYR A 1 61  ? -6.65239 20.37898 18.73204 1.000 24.84009 ?  61  TYR A CE2 1 
ATOM   484 C CZ  . TYR A 1 61  ? -6.81087 21.74332 18.56739 1.000 19.27904 ?  61  TYR A CZ  1 
ATOM   485 O OH  . TYR A 1 61  ? -7.04735 22.52264 19.65644 1.000 17.30446 ?  61  TYR A OH  1 
ATOM   486 N N   . SER A 1 62  ? -2.89205 18.81712 15.81968 1.000 13.87976 ?  62  SER A N   1 
ATOM   487 C CA  . SER A 1 62  ? -1.72103 18.94290 16.68585 1.000 16.43696 ?  62  SER A CA  1 
ATOM   488 C C   . SER A 1 62  ? -0.66406 19.85163 16.06045 1.000 19.46784 ?  62  SER A C   1 
ATOM   489 O O   . SER A 1 62  ? -0.06816 20.69435 16.74521 1.000 19.12931 ?  62  SER A O   1 
ATOM   490 C CB  . SER A 1 62  ? -1.14753 17.55537 16.98068 1.000 15.95355 ?  62  SER A CB  1 
ATOM   491 O OG  . SER A 1 62  ? -2.04526 16.81849 17.80937 1.000 21.16679 ?  62  SER A OG  1 
ATOM   492 N N   . LEU A 1 63  ? -0.43797 19.71426 14.75377 1.000 16.38575 ?  63  LEU A N   1 
ATOM   493 C CA  . LEU A 1 63  ? 0.56183  20.53060 14.07281 1.000 17.06667 ?  63  LEU A CA  1 
ATOM   494 C C   . LEU A 1 63  ? 0.13708  21.98478 14.03666 1.000 15.34255 ?  63  LEU A C   1 
ATOM   495 O O   . LEU A 1 63  ? 0.95094  22.89026 14.25768 1.000 14.88317 ?  63  LEU A O   1 
ATOM   496 C CB  . LEU A 1 63  ? 0.78241  20.01125 12.64812 1.000 15.37939 ?  63  LEU A CB  1 
ATOM   497 C CG  . LEU A 1 63  ? 1.47200  18.63897 12.57569 1.000 16.07571 ?  63  LEU A CG  1 
ATOM   498 C CD1 . LEU A 1 63  ? 1.44397  18.08181 11.16147 1.000 17.78053 ?  63  LEU A CD1 1 
ATOM   499 C CD2 . LEU A 1 63  ? 2.89399  18.75143 13.07656 1.000 17.84914 ?  63  LEU A CD2 1 
ATOM   500 N N   . GLU A 1 64  ? -1.13142 22.21613 13.74919 1.000 12.47968 ?  64  GLU A N   1 
ATOM   501 C CA  . GLU A 1 64  ? -1.63013 23.57015 13.57921 1.000 18.53948 ?  64  GLU A CA  1 
ATOM   502 C C   . GLU A 1 64  ? -1.71132 24.30489 14.91876 1.000 18.35636 ?  64  GLU A C   1 
ATOM   503 O O   . GLU A 1 64  ? -1.46471 25.51293 14.98619 1.000 13.06985 ?  64  GLU A O   1 
ATOM   504 C CB  . GLU A 1 64  ? -2.99705 23.49932 12.88626 1.000 15.12861 ?  64  GLU A CB  1 
ATOM   505 C CG  . GLU A 1 64  ? -3.90485 24.66797 13.11369 1.000 19.64608 ?  64  GLU A CG  1 
ATOM   506 C CD  . GLU A 1 64  ? -5.18100 24.55640 12.31639 1.000 23.23369 ?  64  GLU A CD  1 
ATOM   507 O OE1 . GLU A 1 64  ? -5.88359 23.53015 12.43537 1.000 23.66702 ?  64  GLU A OE1 1 
ATOM   508 O OE2 . GLU A 1 64  ? -5.48063 25.49577 11.56733 1.000 33.51096 -1 64  GLU A OE2 1 
ATOM   509 N N   . SER A 1 65  ? -2.03374 23.60103 15.99308 1.000 13.95076 ?  65  SER A N   1 
ATOM   510 C CA  . SER A 1 65  ? -2.21819 24.25932 17.28157 1.000 17.45686 ?  65  SER A CA  1 
ATOM   511 C C   . SER A 1 65  ? -0.95585 24.27824 18.13004 1.000 16.19887 ?  65  SER A C   1 
ATOM   512 O O   . SER A 1 65  ? -1.00009 24.77799 19.26227 1.000 14.90854 ?  65  SER A O   1 
ATOM   513 C CB  . SER A 1 65  ? -3.34633 23.58501 18.06257 1.000 14.40452 ?  65  SER A CB  1 
ATOM   514 O OG  . SER A 1 65  ? -2.99162 22.24899 18.34566 1.000 17.14359 ?  65  SER A OG  1 
ATOM   515 N N   . SER A 1 66  ? 0.16218  23.74914 17.61876 1.000 15.27861 ?  66  SER A N   1 
ATOM   516 C CA  . SER A 1 66  ? 1.38160  23.73443 18.40045 1.000 13.51052 ?  66  SER A CA  1 
ATOM   517 C C   . SER A 1 66  ? 1.90503  25.15062 18.60935 1.000 15.01040 ?  66  SER A C   1 
ATOM   518 O O   . SER A 1 66  ? 1.99624  25.93369 17.65747 1.000 16.08374 ?  66  SER A O   1 
ATOM   519 C CB  . SER A 1 66  ? 2.45426  22.90193 17.73839 1.000 16.95412 ?  66  SER A CB  1 
ATOM   520 O OG  . SER A 1 66  ? 3.66060  23.07350 18.46133 1.000 16.20265 ?  66  SER A OG  1 
ATOM   521 N N   . PRO A 1 67  ? 2.28282  25.51421 19.82638 1.000 17.05087 ?  67  PRO A N   1 
ATOM   522 C CA  . PRO A 1 67  ? 2.90997  26.82567 20.02061 1.000 14.45702 ?  67  PRO A CA  1 
ATOM   523 C C   . PRO A 1 67  ? 4.31963  26.88727 19.46577 1.000 16.57244 ?  67  PRO A C   1 
ATOM   524 O O   . PRO A 1 67  ? 4.91586  27.96995 19.45830 1.000 14.96990 ?  67  PRO A O   1 
ATOM   525 C CB  . PRO A 1 67  ? 2.88527  26.99663 21.54301 1.000 16.40932 ?  67  PRO A CB  1 
ATOM   526 C CG  . PRO A 1 67  ? 3.00803  25.59115 22.05002 1.000 16.89589 ?  67  PRO A CG  1 
ATOM   527 C CD  . PRO A 1 67  ? 2.18914  24.74188 21.07285 1.000 13.90987 ?  67  PRO A CD  1 
ATOM   528 N N   . LEU A 1 68  ? 4.87987  25.76188 19.00876 1.000 15.13299 ?  68  LEU A N   1 
ATOM   529 C CA  . LEU A 1 68  ? 6.17487  25.78331 18.31730 1.000 14.50283 ?  68  LEU A CA  1 
ATOM   530 C C   . LEU A 1 68  ? 6.10688  26.46199 16.94434 1.000 16.46893 ?  68  LEU A C   1 
ATOM   531 O O   . LEU A 1 68  ? 7.15691  26.68596 16.32151 1.000 15.75912 ?  68  LEU A O   1 
ATOM   532 C CB  . LEU A 1 68  ? 6.69320  24.34551 18.17313 1.000 15.03973 ?  68  LEU A CB  1 
ATOM   533 C CG  . LEU A 1 68  ? 7.45015  23.72978 19.37185 1.000 14.99312 ?  68  LEU A CG  1 
ATOM   534 C CD1 . LEU A 1 68  ? 6.68975  23.82460 20.71608 1.000 12.01227 ?  68  LEU A CD1 1 
ATOM   535 C CD2 . LEU A 1 68  ? 7.83011  22.28570 19.08498 1.000 17.01764 ?  68  LEU A CD2 1 
ATOM   536 N N   . ASN A 1 69  ? 4.90180  26.75598 16.43920 1.000 11.59634 ?  69  ASN A N   1 
ATOM   537 C CA  . ASN A 1 69  ? 4.72496  27.58732 15.25105 1.000 15.77764 ?  69  ASN A CA  1 
ATOM   538 C C   . ASN A 1 69  ? 5.05136  29.05913 15.50745 1.000 14.61329 ?  69  ASN A C   1 
ATOM   539 O O   . ASN A 1 69  ? 5.19170  29.80902 14.54145 1.000 16.39817 ?  69  ASN A O   1 
ATOM   540 C CB  . ASN A 1 69  ? 3.26860  27.51998 14.71857 1.000 14.31556 ?  69  ASN A CB  1 
ATOM   541 C CG  . ASN A 1 69  ? 2.91792  26.19319 14.04379 1.000 14.65567 ?  69  ASN A CG  1 
ATOM   542 O OD1 . ASN A 1 69  ? 3.50734  25.82484 13.02881 1.000 15.54110 ?  69  ASN A OD1 1 
ATOM   543 N ND2 . ASN A 1 69  ? 1.92626  25.48572 14.59540 1.000 15.56416 ?  69  ASN A ND2 1 
ATOM   544 N N   . SER A 1 70  ? 5.16600  29.49559 16.76405 1.000 13.86884 ?  70  SER A N   1 
ATOM   545 C CA  . SER A 1 70  ? 5.16244  30.92986 17.06624 1.000 21.84664 ?  70  SER A CA  1 
ATOM   546 C C   . SER A 1 70  ? 6.53304  31.40881 17.52895 1.000 16.80920 ?  70  SER A C   1 
ATOM   547 O O   . SER A 1 70  ? 6.98625  30.99833 18.60289 1.000 13.52357 ?  70  SER A O   1 
ATOM   548 C CB  . SER A 1 70  ? 4.11021  31.23933 18.13219 1.000 17.32998 ?  70  SER A CB  1 
ATOM   549 O OG  . SER A 1 70  ? 4.29569  32.54253 18.68961 1.000 16.04713 ?  70  SER A OG  1 
ATOM   550 N N   . PRO A 1 71  ? 7.21438  32.28908 16.78873 1.000 20.36328 ?  71  PRO A N   1 
ATOM   551 C CA  . PRO A 1 71  ? 8.47639  32.84867 17.30436 1.000 20.09091 ?  71  PRO A CA  1 
ATOM   552 C C   . PRO A 1 71  ? 8.28601  33.60284 18.60256 1.000 18.51189 ?  71  PRO A C   1 
ATOM   553 O O   . PRO A 1 71  ? 9.21636  33.67221 19.42954 1.000 17.60714 ?  71  PRO A O   1 
ATOM   554 C CB  . PRO A 1 71  ? 8.93408  33.79151 16.17978 1.000 18.10112 ?  71  PRO A CB  1 
ATOM   555 C CG  . PRO A 1 71  ? 8.09200  33.45313 14.99165 1.000 18.21916 ?  71  PRO A CG  1 
ATOM   556 C CD  . PRO A 1 71  ? 6.80834  32.91663 15.52378 1.000 22.22939 ?  71  PRO A CD  1 
ATOM   557 N N   . ILE A 1 72  ? 7.08549  34.16512 18.79545 1.000 16.97296 ?  72  ILE A N   1 
ATOM   558 C CA  . ILE A 1 72  ? 6.79324  34.93546 19.99672 1.000 17.18660 ?  72  ILE A CA  1 
ATOM   559 C C   . ILE A 1 72  ? 6.73644  34.01081 21.20329 1.000 18.29437 ?  72  ILE A C   1 
ATOM   560 O O   . ILE A 1 72  ? 7.32835  34.29739 22.24783 1.000 17.53850 ?  72  ILE A O   1 
ATOM   561 C CB  . ILE A 1 72  ? 5.48320  35.72751 19.82087 1.000 18.54523 ?  72  ILE A CB  1 
ATOM   562 C CG1 . ILE A 1 72  ? 5.64867  36.77045 18.70314 1.000 21.85135 ?  72  ILE A CG1 1 
ATOM   563 C CG2 . ILE A 1 72  ? 5.09162  36.39329 21.13357 1.000 17.02261 ?  72  ILE A CG2 1 
ATOM   564 C CD1 . ILE A 1 72  ? 4.38166  37.11760 17.93153 1.000 21.47733 ?  72  ILE A CD1 1 
ATOM   565 N N   . PHE A 1 73  ? 6.04118  32.87091 21.06768 1.000 15.51406 ?  73  PHE A N   1 
ATOM   566 C CA  . PHE A 1 73  ? 6.02200  31.89309 22.15104 1.000 19.21502 ?  73  PHE A CA  1 
ATOM   567 C C   . PHE A 1 73  ? 7.42357  31.36199 22.42044 1.000 16.23567 ?  73  PHE A C   1 
ATOM   568 O O   . PHE A 1 73  ? 7.81189  31.17731 23.57285 1.000 15.99429 ?  73  PHE A O   1 
ATOM   569 C CB  . PHE A 1 73  ? 5.07635  30.73410 21.81531 1.000 18.18648 ?  73  PHE A CB  1 
ATOM   570 C CG  . PHE A 1 73  ? 5.13389  29.57132 22.80410 1.000 16.33522 ?  73  PHE A CG  1 
ATOM   571 C CD1 . PHE A 1 73  ? 4.32651  29.55543 23.92999 1.000 19.91127 ?  73  PHE A CD1 1 
ATOM   572 C CD2 . PHE A 1 73  ? 5.96327  28.47681 22.57471 1.000 19.38251 ?  73  PHE A CD2 1 
ATOM   573 C CE1 . PHE A 1 73  ? 4.35536  28.47034 24.83021 1.000 18.06103 ?  73  PHE A CE1 1 
ATOM   574 C CE2 . PHE A 1 73  ? 6.00517  27.39620 23.47119 1.000 17.59598 ?  73  PHE A CE2 1 
ATOM   575 C CZ  . PHE A 1 73  ? 5.20611  27.39975 24.59664 1.000 15.74380 ?  73  PHE A CZ  1 
ATOM   576 N N   . LEU A 1 74  ? 8.19147  31.10342 21.36468 1.000 12.90397 ?  74  LEU A N   1 
ATOM   577 C CA  . LEU A 1 74  ? 9.46235  30.43508 21.55268 1.000 18.02667 ?  74  LEU A CA  1 
ATOM   578 C C   . LEU A 1 74  ? 10.50433 31.34610 22.18312 1.000 19.44617 ?  74  LEU A C   1 
ATOM   579 O O   . LEU A 1 74  ? 11.54542 30.83853 22.61969 1.000 15.58170 ?  74  LEU A O   1 
ATOM   580 C CB  . LEU A 1 74  ? 9.96603  29.87927 20.21741 1.000 14.88291 ?  74  LEU A CB  1 
ATOM   581 C CG  . LEU A 1 74  ? 9.22461  28.60919 19.78537 1.000 15.59922 ?  74  LEU A CG  1 
ATOM   582 C CD1 . LEU A 1 74  ? 9.61433  28.22979 18.38869 1.000 14.36433 ?  74  LEU A CD1 1 
ATOM   583 C CD2 . LEU A 1 74  ? 9.54158  27.47591 20.75941 1.000 13.16550 ?  74  LEU A CD2 1 
ATOM   584 N N   . ARG A 1 75  ? 10.24846 32.66311 22.24221 1.000 15.05659 ?  75  ARG A N   1 
ATOM   585 C CA  . ARG A 1 75  ? 11.14177 33.53890 23.00554 1.000 17.18247 ?  75  ARG A CA  1 
ATOM   586 C C   . ARG A 1 75  ? 11.46307 32.96083 24.38377 1.000 16.41754 ?  75  ARG A C   1 
ATOM   587 O O   . ARG A 1 75  ? 12.57401 33.13116 24.89810 1.000 16.27412 ?  75  ARG A O   1 
ATOM   588 C CB  . ARG A 1 75  ? 10.52784 34.93634 23.16894 1.000 16.22336 ?  75  ARG A CB  1 
ATOM   589 C CG  . ARG A 1 75  ? 10.29703 35.70568 21.87333 1.000 19.22445 ?  75  ARG A CG  1 
ATOM   590 C CD  . ARG A 1 75  ? 9.43319  36.96926 22.12342 1.000 20.77382 ?  75  ARG A CD  1 
ATOM   591 N NE  . ARG A 1 75  ? 10.08479 37.92703 23.01893 1.000 19.20148 ?  75  ARG A NE  1 
ATOM   592 C CZ  . ARG A 1 75  ? 10.68353 39.04090 22.61209 1.000 24.48312 ?  75  ARG A CZ  1 
ATOM   593 N NH1 . ARG A 1 75  ? 10.72424 39.37208 21.33303 1.000 18.99764 ?  75  ARG A NH1 1 
ATOM   594 N NH2 . ARG A 1 75  ? 11.27557 39.83151 23.50873 1.000 20.34861 ?  75  ARG A NH2 1 
ATOM   595 N N   . ARG A 1 76  ? 10.49937 32.28401 25.00746 1.000 16.22376 ?  76  ARG A N   1 
ATOM   596 C CA  . ARG A 1 76  ? 10.72181 31.81691 26.36427 1.000 16.26966 ?  76  ARG A CA  1 
ATOM   597 C C   . ARG A 1 76  ? 11.79729 30.74030 26.45621 1.000 17.46513 ?  76  ARG A C   1 
ATOM   598 O O   . ARG A 1 76  ? 12.23043 30.43039 27.56621 1.000 21.90357 ?  76  ARG A O   1 
ATOM   599 C CB  . ARG A 1 76  ? 9.41292  31.30650 26.96760 1.000 16.52730 ?  76  ARG A CB  1 
ATOM   600 C CG  . ARG A 1 76  ? 9.01064  29.92597 26.47039 1.000 16.50721 ?  76  ARG A CG  1 
ATOM   601 C CD  . ARG A 1 76  ? 7.52789  29.68765 26.69145 1.000 18.09022 ?  76  ARG A CD  1 
ATOM   602 N NE  . ARG A 1 76  ? 6.72353  30.79419 26.19337 1.000 18.72329 ?  76  ARG A NE  1 
ATOM   603 C CZ  . ARG A 1 76  ? 5.54961  31.14897 26.69698 1.000 21.83117 ?  76  ARG A CZ  1 
ATOM   604 N NH1 . ARG A 1 76  ? 5.02380  30.52324 27.73747 1.000 18.02457 ?  76  ARG A NH1 1 
ATOM   605 N NH2 . ARG A 1 76  ? 4.88366  32.15591 26.13755 1.000 22.11826 ?  76  ARG A NH2 1 
ATOM   606 N N   . PHE A 1 77  ? 12.24992 30.17914 25.33633 1.000 18.86200 ?  77  PHE A N   1 
ATOM   607 C CA  . PHE A 1 77  ? 13.33338 29.20039 25.33597 1.000 20.55685 ?  77  PHE A CA  1 
ATOM   608 C C   . PHE A 1 77  ? 14.64652 29.77570 24.81824 1.000 22.51944 ?  77  PHE A C   1 
ATOM   609 O O   . PHE A 1 77  ? 15.59085 29.01187 24.57202 1.000 19.60119 ?  77  PHE A O   1 
ATOM   610 C CB  . PHE A 1 77  ? 12.93765 27.98036 24.49379 1.000 17.80618 ?  77  PHE A CB  1 
ATOM   611 C CG  . PHE A 1 77  ? 11.71642 27.26289 25.00185 1.000 19.93520 ?  77  PHE A CG  1 
ATOM   612 C CD1 . PHE A 1 77  ? 11.80198 26.40223 26.09269 1.000 19.65616 ?  77  PHE A CD1 1 
ATOM   613 C CD2 . PHE A 1 77  ? 10.48561 27.45202 24.40004 1.000 18.21684 ?  77  PHE A CD2 1 
ATOM   614 C CE1 . PHE A 1 77  ? 10.69093 25.74821 26.57400 1.000 16.50462 ?  77  PHE A CE1 1 
ATOM   615 C CE2 . PHE A 1 77  ? 9.35765  26.78659 24.87616 1.000 21.55606 ?  77  PHE A CE2 1 
ATOM   616 C CZ  . PHE A 1 77  ? 9.46639  25.93407 25.97229 1.000 15.96706 ?  77  PHE A CZ  1 
ATOM   617 N N   . SER A 1 78  ? 14.73824 31.10138 24.64533 1.000 19.99371 ?  78  SER A N   1 
ATOM   618 C CA  . SER A 1 78  ? 15.91578 31.65929 23.97557 1.000 22.15084 ?  78  SER A CA  1 
ATOM   619 C C   . SER A 1 78  ? 17.17536 31.50793 24.82243 1.000 22.45154 ?  78  SER A C   1 
ATOM   620 O O   . SER A 1 78  ? 18.28125 31.42327 24.27865 1.000 22.53081 ?  78  SER A O   1 
ATOM   621 C CB  . SER A 1 78  ? 15.69168 33.13388 23.62985 1.000 20.07056 ?  78  SER A CB  1 
ATOM   622 O OG  . SER A 1 78  ? 15.54325 33.90583 24.81168 1.000 20.08519 ?  78  SER A OG  1 
ATOM   623 N N   . ALA A 1 79  ? 17.03712 31.45107 26.13893 1.000 22.26136 ?  79  ALA A N   1 
ATOM   624 C CA  . ALA A 1 79  ? 18.20177 31.33678 26.99948 1.000 25.15884 ?  79  ALA A CA  1 
ATOM   625 C C   . ALA A 1 79  ? 18.53027 29.90403 27.39820 1.000 23.81480 ?  79  ALA A C   1 
ATOM   626 O O   . ALA A 1 79  ? 19.52182 29.69517 28.10025 1.000 26.67425 ?  79  ALA A O   1 
ATOM   627 C CB  . ALA A 1 79  ? 18.01092 32.17372 28.26665 1.000 21.77191 ?  79  ALA A CB  1 
ATOM   628 N N   . CYS A 1 80  ? 17.75402 28.90385 26.97126 1.000 24.00135 ?  80  CYS A N   1 
ATOM   629 C CA  . CYS A 1 80  ? 17.95103 27.56905 27.52847 1.000 22.15712 ?  80  CYS A CA  1 
ATOM   630 C C   . CYS A 1 80  ? 17.66580 26.48334 26.49489 1.000 23.66375 ?  80  CYS A C   1 
ATOM   631 O O   . CYS A 1 80  ? 17.14631 25.41223 26.83051 1.000 20.11583 ?  80  CYS A O   1 
ATOM   632 C CB  . CYS A 1 80  ? 17.09072 27.36108 28.77496 1.000 20.24158 ?  80  CYS A CB  1 
ATOM   633 S SG  . CYS A 1 80  ? 15.28552 27.53748 28.49940 1.000 24.87091 ?  80  CYS A SG  1 
ATOM   634 N N   . SER A 1 81  ? 18.02147 26.73452 25.23643 1.000 21.86855 ?  81  SER A N   1 
ATOM   635 C CA  . SER A 1 81  ? 17.79814 25.75932 24.17514 1.000 19.93098 ?  81  SER A CA  1 
ATOM   636 C C   . SER A 1 81  ? 18.64135 26.16635 22.98448 1.000 21.33889 ?  81  SER A C   1 
ATOM   637 O O   . SER A 1 81  ? 19.26879 27.22845 22.98470 1.000 22.39444 ?  81  SER A O   1 
ATOM   638 C CB  . SER A 1 81  ? 16.31971 25.65763 23.79364 1.000 19.59942 ?  81  SER A CB  1 
ATOM   639 O OG  . SER A 1 81  ? 15.96714 26.67892 22.87110 1.000 20.66230 ?  81  SER A OG  1 
ATOM   640 N N   . VAL A 1 82  ? 18.63712 25.31216 21.95833 1.000 21.93586 ?  82  VAL A N   1 
ATOM   641 C CA  . VAL A 1 82  ? 19.43660 25.50747 20.75495 1.000 24.40210 ?  82  VAL A CA  1 
ATOM   642 C C   . VAL A 1 82  ? 18.53456 25.34967 19.54203 1.000 21.22018 ?  82  VAL A C   1 
ATOM   643 O O   . VAL A 1 82  ? 17.82173 24.34983 19.42616 1.000 24.49273 ?  82  VAL A O   1 
ATOM   644 C CB  . VAL A 1 82  ? 20.59938 24.49510 20.67551 1.000 26.57904 ?  82  VAL A CB  1 
ATOM   645 C CG1 . VAL A 1 82  ? 21.19153 24.47998 19.26371 1.000 25.77389 ?  82  VAL A CG1 1 
ATOM   646 C CG2 . VAL A 1 82  ? 21.65967 24.80427 21.72792 1.000 28.19125 ?  82  VAL A CG2 1 
ATOM   647 N N   . GLY A 1 83  ? 18.58635 26.30531 18.62150 1.000 23.69972 ?  83  GLY A N   1 
ATOM   648 C CA  . GLY A 1 83  ? 17.83674 26.17276 17.38643 1.000 20.65912 ?  83  GLY A CA  1 
ATOM   649 C C   . GLY A 1 83  ? 16.40508 26.66538 17.43730 1.000 21.89178 ?  83  GLY A C   1 
ATOM   650 O O   . GLY A 1 83  ? 15.63802 26.38398 16.50828 1.000 25.02447 ?  83  GLY A O   1 
ATOM   651 N N   . PHE A 1 84  ? 16.02366 27.39363 18.48836 1.000 22.85687 ?  84  PHE A N   1 
ATOM   652 C CA  . PHE A 1 84  ? 14.65967 27.90209 18.60255 1.000 24.23498 ?  84  PHE A CA  1 
ATOM   653 C C   . PHE A 1 84  ? 14.31217 28.83166 17.43838 1.000 24.68437 ?  84  PHE A C   1 
ATOM   654 O O   . PHE A 1 84  ? 13.18801 28.79428 16.91987 1.000 23.29334 ?  84  PHE A O   1 
ATOM   655 C CB  . PHE A 1 84  ? 14.48979 28.60257 19.94953 1.000 18.07062 ?  84  PHE A CB  1 
ATOM   656 C CG  . PHE A 1 84  ? 15.58817 29.59239 20.25551 1.000 27.33192 ?  84  PHE A CG  1 
ATOM   657 C CD1 . PHE A 1 84  ? 16.80104 29.17310 20.81508 1.000 20.22807 ?  84  PHE A CD1 1 
ATOM   658 C CD2 . PHE A 1 84  ? 15.41983 30.94116 19.96087 1.000 22.68067 ?  84  PHE A CD2 1 
ATOM   659 C CE1 . PHE A 1 84  ? 17.80908 30.07608 21.06775 1.000 24.66281 ?  84  PHE A CE1 1 
ATOM   660 C CE2 . PHE A 1 84  ? 16.42682 31.84920 20.21147 1.000 23.19837 ?  84  PHE A CE2 1 
ATOM   661 C CZ  . PHE A 1 84  ? 17.62571 31.42245 20.76810 1.000 25.44892 ?  84  PHE A CZ  1 
ATOM   662 N N   . GLU A 1 85  ? 15.27871 29.64229 16.99036 1.000 24.54509 ?  85  GLU A N   1 
ATOM   663 C CA  . GLU A 1 85  ? 15.06249 30.56720 15.87797 1.000 25.96291 ?  85  GLU A CA  1 
ATOM   664 C C   . GLU A 1 85  ? 14.47096 29.86735 14.66874 1.000 23.22210 ?  85  GLU A C   1 
ATOM   665 O O   . GLU A 1 85  ? 13.63277 30.42910 13.95388 1.000 25.23602 ?  85  GLU A O   1 
ATOM   666 C CB  . GLU A 1 85  ? 16.38785 31.21274 15.47078 1.000 26.61430 ?  85  GLU A CB  1 
ATOM   667 C CG  . GLU A 1 85  ? 16.65406 32.57767 16.00363 1.000 28.21818 ?  85  GLU A CG  1 
ATOM   668 C CD  . GLU A 1 85  ? 17.55280 33.40309 15.06292 1.000 30.95087 ?  85  GLU A CD  1 
ATOM   669 O OE1 . GLU A 1 85  ? 17.26355 33.53559 13.83635 1.000 30.26183 ?  85  GLU A OE1 1 
ATOM   670 O OE2 . GLU A 1 85  ? 18.55713 33.91585 15.56387 1.000 27.52946 -1 85  GLU A OE2 1 
ATOM   671 N N   . GLU A 1 86  ? 14.91664 28.64969 14.41057 1.000 23.55204 ?  86  GLU A N   1 
ATOM   672 C CA  . GLU A 1 86  ? 14.55086 27.90515 13.22079 1.000 23.52000 ?  86  GLU A CA  1 
ATOM   673 C C   . GLU A 1 86  ? 13.38670 26.94099 13.45060 1.000 23.16527 ?  86  GLU A C   1 
ATOM   674 O O   . GLU A 1 86  ? 13.02907 26.20530 12.52832 1.000 23.85756 ?  86  GLU A O   1 
ATOM   675 C CB  . GLU A 1 86  ? 15.77878 27.12855 12.71015 1.000 28.81162 ?  86  GLU A CB  1 
ATOM   676 C CG  . GLU A 1 86  ? 16.95854 28.00581 12.22951 1.000 26.36029 ?  86  GLU A CG  1 
ATOM   677 C CD  . GLU A 1 86  ? 17.76941 28.63334 13.36871 1.000 32.63618 ?  86  GLU A CD  1 
ATOM   678 O OE1 . GLU A 1 86  ? 17.98473 27.98012 14.41601 1.000 32.07647 ?  86  GLU A OE1 1 
ATOM   679 O OE2 . GLU A 1 86  ? 18.19137 29.80156 13.22217 1.000 37.02339 -1 86  GLU A OE2 1 
ATOM   680 N N   . ILE A 1 87  ? 12.79481 26.90801 14.64403 1.000 19.45930 ?  87  ILE A N   1 
ATOM   681 C CA  . ILE A 1 87  ? 11.78807 25.87502 14.91801 1.000 18.38335 ?  87  ILE A CA  1 
ATOM   682 C C   . ILE A 1 87  ? 10.47059 26.14664 14.18348 1.000 16.91884 ?  87  ILE A C   1 
ATOM   683 O O   . ILE A 1 87  ? 9.89096  25.20351 13.63104 1.000 20.74236 ?  87  ILE A O   1 
ATOM   684 C CB  . ILE A 1 87  ? 11.58098 25.70788 16.43110 1.000 19.73977 ?  87  ILE A CB  1 
ATOM   685 C CG1 . ILE A 1 87  ? 12.72902 24.87102 16.99346 1.000 23.21740 ?  87  ILE A CG1 1 
ATOM   686 C CG2 . ILE A 1 87  ? 10.23567 25.02620 16.73552 1.000 16.32775 ?  87  ILE A CG2 1 
ATOM   687 C CD1 . ILE A 1 87  ? 12.81015 23.50044 16.37031 1.000 22.41376 ?  87  ILE A CD1 1 
ATOM   688 N N   . PRO A 1 88  ? 9.95632  27.38589 14.12177 1.000 16.93104 ?  88  PRO A N   1 
ATOM   689 C CA  . PRO A 1 88  ? 8.75502  27.62669 13.28575 1.000 19.44045 ?  88  PRO A CA  1 
ATOM   690 C C   . PRO A 1 88  ? 8.88560  27.15492 11.83524 1.000 19.84848 ?  88  PRO A C   1 
ATOM   691 O O   . PRO A 1 88  ? 7.96727  26.48431 11.32170 1.000 21.47203 ?  88  PRO A O   1 
ATOM   692 C CB  . PRO A 1 88  ? 8.54352  29.15211 13.38982 1.000 14.51920 ?  88  PRO A CB  1 
ATOM   693 C CG  . PRO A 1 88  ? 9.31086  29.59052 14.57703 1.000 19.63538 ?  88  PRO A CG  1 
ATOM   694 C CD  . PRO A 1 88  ? 10.27314 28.53194 14.99422 1.000 16.30092 ?  88  PRO A CD  1 
ATOM   695 N N   . THR A 1 89  ? 10.00843 27.44960 11.15658 1.000 20.06181 ?  89  THR A N   1 
ATOM   696 C CA  . THR A 1 89  ? 10.18125 26.90772 9.80587  1.000 16.55677 ?  89  THR A CA  1 
ATOM   697 C C   . THR A 1 89  ? 10.26502 25.38818 9.82264  1.000 20.15056 ?  89  THR A C   1 
ATOM   698 O O   . THR A 1 89  ? 9.74601  24.71913 8.91327  1.000 20.12552 ?  89  THR A O   1 
ATOM   699 C CB  . THR A 1 89  ? 11.42782 27.46087 9.12038  1.000 20.62890 ?  89  THR A CB  1 
ATOM   700 O OG1 . THR A 1 89  ? 11.47021 28.88332 9.22522  1.000 21.73581 ?  89  THR A OG1 1 
ATOM   701 C CG2 . THR A 1 89  ? 11.38635 27.07048 7.65205  1.000 23.76845 ?  89  THR A CG2 1 
ATOM   702 N N   . ALA A 1 90  ? 10.91033 24.81426 10.84823 1.000 19.18818 ?  90  ALA A N   1 
ATOM   703 C CA  . ALA A 1 90  ? 10.89921 23.35939 10.93653 1.000 24.19112 ?  90  ALA A CA  1 
ATOM   704 C C   . ALA A 1 90  ? 9.46451  22.84274 10.92608 1.000 16.66813 ?  90  ALA A C   1 
ATOM   705 O O   . ALA A 1 90  ? 9.14246  21.88514 10.20841 1.000 22.45768 ?  90  ALA A O   1 
ATOM   706 C CB  . ALA A 1 90  ? 11.65709 22.88668 12.17691 1.000 19.73646 ?  90  ALA A CB  1 
ATOM   707 N N   . LEU A 1 91  ? 8.56048  23.52538 11.64037 1.000 20.85720 ?  91  LEU A N   1 
ATOM   708 C CA  . LEU A 1 91  ? 7.18687  23.04015 11.65361 1.000 20.34241 ?  91  LEU A CA  1 
ATOM   709 C C   . LEU A 1 91  ? 6.55693  23.21586 10.27997 1.000 21.04719 ?  91  LEU A C   1 
ATOM   710 O O   . LEU A 1 91  ? 5.85695  22.31950 9.78772  1.000 21.88679 ?  91  LEU A O   1 
ATOM   711 C CB  . LEU A 1 91  ? 6.37219  23.73516 12.75521 1.000 20.52425 ?  91  LEU A CB  1 
ATOM   712 C CG  . LEU A 1 91  ? 6.23108  22.84322 14.00971 1.000 19.28824 ?  91  LEU A CG  1 
ATOM   713 C CD1 . LEU A 1 91  ? 7.56844  22.67343 14.74049 1.000 14.54877 ?  91  LEU A CD1 1 
ATOM   714 C CD2 . LEU A 1 91  ? 5.13980  23.33319 14.96926 1.000 17.38871 ?  91  LEU A CD2 1 
ATOM   715 N N   . GLN A 1 92  ? 6.87775  24.31871 9.60637  1.000 22.54151 ?  92  GLN A N   1 
ATOM   716 C CA  . GLN A 1 92  ? 6.39208  24.49876 8.24423  1.000 25.29223 ?  92  GLN A CA  1 
ATOM   717 C C   . GLN A 1 92  ? 6.79797  23.31486 7.37806  1.000 26.45382 ?  92  GLN A C   1 
ATOM   718 O O   . GLN A 1 92  ? 5.94906  22.68316 6.72407  1.000 23.12807 ?  92  GLN A O   1 
ATOM   719 C CB  . GLN A 1 92  ? 6.90622  25.83163 7.68501  1.000 24.79081 ?  92  GLN A CB  1 
ATOM   720 C CG  . GLN A 1 92  ? 6.36457  27.02193 8.49540  1.000 28.93974 ?  92  GLN A CG  1 
ATOM   721 C CD  . GLN A 1 92  ? 4.83139  27.14886 8.39075  1.000 39.17451 ?  92  GLN A CD  1 
ATOM   722 O OE1 . GLN A 1 92  ? 4.16436  27.74528 9.25455  1.000 35.08849 ?  92  GLN A OE1 1 
ATOM   723 N NE2 . GLN A 1 92  ? 4.27590  26.61368 7.30489  1.000 42.25716 ?  92  GLN A NE2 1 
ATOM   724 N N   . ARG A 1 93  ? 8.07785  22.91918 7.46116  1.000 20.27419 ?  93  ARG A N   1 
ATOM   725 C CA  . ARG A 1 93  ? 8.50906  21.79734 6.64248  1.000 20.31656 ?  93  ARG A CA  1 
ATOM   726 C C   . ARG A 1 93  ? 7.76435  20.53988 7.05086  1.000 26.11791 ?  93  ARG A C   1 
ATOM   727 O O   . ARG A 1 93  ? 7.26604  19.79743 6.19198  1.000 25.85403 ?  93  ARG A O   1 
ATOM   728 C CB  . ARG A 1 93  ? 10.01807 21.58867 6.75753  1.000 28.93249 ?  93  ARG A CB  1 
ATOM   729 C CG  . ARG A 1 93  ? 10.83652 22.57471 5.97006  1.000 29.16548 ?  93  ARG A CG  1 
ATOM   730 C CD  . ARG A 1 93  ? 12.24589 22.06286 5.73747  1.000 29.55704 ?  93  ARG A CD  1 
ATOM   731 N NE  . ARG A 1 93  ? 13.06598 23.10346 5.13135  1.000 35.14792 ?  93  ARG A NE  1 
ATOM   732 C CZ  . ARG A 1 93  ? 13.58704 24.11659 5.80908  1.000 37.89383 ?  93  ARG A CZ  1 
ATOM   733 N NH1 . ARG A 1 93  ? 13.42471 24.22813 7.12143  1.000 35.20668 ?  93  ARG A NH1 1 
ATOM   734 N NH2 . ARG A 1 93  ? 14.29264 25.03569 5.15919  1.000 35.31941 ?  93  ARG A NH2 1 
ATOM   735 N N   . ILE A 1 94  ? 7.62094  20.31224 8.36423  1.000 22.98964 ?  94  ILE A N   1 
ATOM   736 C CA  . ILE A 1 94  ? 6.94063  19.09551 8.78242  1.000 23.45317 ?  94  ILE A CA  1 
ATOM   737 C C   . ILE A 1 94  ? 5.52154  19.10480 8.24802  1.000 24.68662 ?  94  ILE A C   1 
ATOM   738 O O   . ILE A 1 94  ? 5.06493  18.12589 7.63534  1.000 22.34936 ?  94  ILE A O   1 
ATOM   739 C CB  . ILE A 1 94  ? 6.99312  18.92706 10.31000 1.000 20.50112 ?  94  ILE A CB  1 
ATOM   740 C CG1 . ILE A 1 94  ? 8.36374  18.35333 10.70848 1.000 25.94979 ?  94  ILE A CG1 1 
ATOM   741 C CG2 . ILE A 1 94  ? 5.87531  18.00871 10.78177 1.000 20.44113 ?  94  ILE A CG2 1 
ATOM   742 C CD1 . ILE A 1 94  ? 8.92550  18.90379 12.01009 1.000 20.94700 ?  94  ILE A CD1 1 
ATOM   743 N N   . ARG A 1 95  ? 4.84799  20.25473 8.34460  1.000 22.51284 ?  95  ARG A N   1 
ATOM   744 C CA  . ARG A 1 95  ? 3.46176  20.26432 7.90210  1.000 21.51274 ?  95  ARG A CA  1 
ATOM   745 C C   . ARG A 1 95  ? 3.38035  20.03322 6.39484  1.000 25.39038 ?  95  ARG A C   1 
ATOM   746 O O   . ARG A 1 95  ? 2.41632  19.42327 5.91033  1.000 21.76422 ?  95  ARG A O   1 
ATOM   747 C CB  . ARG A 1 95  ? 2.78865  21.57174 8.33955  1.000 22.66073 ?  95  ARG A CB  1 
ATOM   748 C CG  . ARG A 1 95  ? 2.54553  21.62774 9.86397  1.000 16.38566 ?  95  ARG A CG  1 
ATOM   749 C CD  . ARG A 1 95  ? 2.38048  23.05698 10.37605 1.000 20.34396 ?  95  ARG A CD  1 
ATOM   750 N NE  . ARG A 1 95  ? 1.08775  23.62059 10.00195 1.000 19.71971 ?  95  ARG A NE  1 
ATOM   751 C CZ  . ARG A 1 95  ? 0.66383  24.82629 10.35637 1.000 25.79431 ?  95  ARG A CZ  1 
ATOM   752 N NH1 . ARG A 1 95  ? 1.39669  25.62094 11.12610 1.000 24.11701 ?  95  ARG A NH1 1 
ATOM   753 N NH2 . ARG A 1 95  ? -0.52547 25.24736 9.92989  1.000 21.64750 ?  95  ARG A NH2 1 
ATOM   754 N N   . SER A 1 96  ? 4.41533  20.44511 5.65188  1.000 27.22093 ?  96  SER A N   1 
ATOM   755 C CA  . SER A 1 96  ? 4.44465  20.17596 4.21389  1.000 28.64299 ?  96  SER A CA  1 
ATOM   756 C C   . SER A 1 96  ? 4.56007  18.69102 3.94685  1.000 26.08418 ?  96  SER A C   1 
ATOM   757 O O   . SER A 1 96  ? 3.76115  18.12000 3.19083  1.000 26.27335 ?  96  SER A O   1 
ATOM   758 C CB  . SER A 1 96  ? 5.60665  20.90278 3.54545  1.000 26.26639 ?  96  SER A CB  1 
ATOM   759 O OG  . SER A 1 96  ? 5.38016  22.28276 3.53281  1.000 35.55667 ?  96  SER A OG  1 
ATOM   760 N N   . VAL A 1 97  ? 5.52668  18.03390 4.59357  1.000 25.91434 ?  97  VAL A N   1 
ATOM   761 C CA  . VAL A 1 97  ? 5.77735  16.65185 4.21734  1.000 27.88495 ?  97  VAL A CA  1 
ATOM   762 C C   . VAL A 1 97  ? 4.60235  15.80008 4.65119  1.000 28.52880 ?  97  VAL A C   1 
ATOM   763 O O   . VAL A 1 97  ? 4.12326  14.95136 3.88984  1.000 30.66415 ?  97  VAL A O   1 
ATOM   764 C CB  . VAL A 1 97  ? 7.12026  16.15565 4.79255  1.000 27.97322 ?  97  VAL A CB  1 
ATOM   765 C CG1 . VAL A 1 97  ? 8.27426  16.84983 4.06464  1.000 30.50743 ?  97  VAL A CG1 1 
ATOM   766 C CG2 . VAL A 1 97  ? 7.20933  16.40506 6.28226  1.000 31.99434 ?  97  VAL A CG2 1 
ATOM   767 N N   . TYR A 1 98  ? 4.05980  16.08011 5.84339  1.000 23.30873 ?  98  TYR A N   1 
ATOM   768 C CA  . TYR A 1 98  ? 2.85310  15.39542 6.28665  1.000 25.26190 ?  98  TYR A CA  1 
ATOM   769 C C   . TYR A 1 98  ? 1.73851  15.54240 5.25582  1.000 24.85074 ?  98  TYR A C   1 
ATOM   770 O O   . TYR A 1 98  ? 1.13809  14.54993 4.82761  1.000 24.92855 ?  98  TYR A O   1 
ATOM   771 C CB  . TYR A 1 98  ? 2.40246  15.93346 7.64134  1.000 23.37341 ?  98  TYR A CB  1 
ATOM   772 C CG  . TYR A 1 98  ? 1.20438  15.18278 8.15415  1.000 21.83405 ?  98  TYR A CG  1 
ATOM   773 C CD1 . TYR A 1 98  ? 1.25758  13.80897 8.34642  1.000 21.80707 ?  98  TYR A CD1 1 
ATOM   774 C CD2 . TYR A 1 98  ? 0.01085  15.83290 8.40703  1.000 22.12700 ?  98  TYR A CD2 1 
ATOM   775 C CE1 . TYR A 1 98  ? 0.15223  13.11219 8.81265  1.000 25.15526 ?  98  TYR A CE1 1 
ATOM   776 C CE2 . TYR A 1 98  ? -1.11009 15.13337 8.86101  1.000 21.27833 ?  98  TYR A CE2 1 
ATOM   777 C CZ  . TYR A 1 98  ? -1.02695 13.77758 9.05850  1.000 17.53447 ?  98  TYR A CZ  1 
ATOM   778 O OH  . TYR A 1 98  ? -2.12356 13.09206 9.51920  1.000 24.28256 ?  98  TYR A OH  1 
ATOM   779 N N   . THR A 1 99  ? 1.49024  16.77458 4.80185  1.000 24.99256 ?  99  THR A N   1 
ATOM   780 C CA  . THR A 1 99  ? 0.47807  16.97493 3.77034  1.000 27.99819 ?  99  THR A CA  1 
ATOM   781 C C   . THR A 1 99  ? 0.79582  16.11788 2.55205  1.000 28.07961 ?  99  THR A C   1 
ATOM   782 O O   . THR A 1 99  ? -0.03505 15.31460 2.10680  1.000 28.35342 ?  99  THR A O   1 
ATOM   783 C CB  . THR A 1 99  ? 0.39964  18.45702 3.40023  1.000 25.08390 ?  99  THR A CB  1 
ATOM   784 O OG1 . THR A 1 99  ? -0.07343 19.20212 4.53161  1.000 23.64361 ?  99  THR A OG1 1 
ATOM   785 C CG2 . THR A 1 99  ? -0.52894 18.67621 2.19051  1.000 25.32390 ?  99  THR A CG2 1 
ATOM   786 N N   . ALA A 1 100 ? 2.04472  16.19578 2.07793  1.000 26.00705 ?  100 ALA A N   1 
ATOM   787 C CA  . ALA A 1 100 ? 2.45839  15.39318 0.93313  1.000 31.78753 ?  100 ALA A CA  1 
ATOM   788 C C   . ALA A 1 100 ? 2.27760  13.91079 1.22424  1.000 36.83225 ?  100 ALA A C   1 
ATOM   789 O O   . ALA A 1 100 ? 1.75931  13.16536 0.38107  1.000 36.61290 ?  100 ALA A O   1 
ATOM   790 C CB  . ALA A 1 100 ? 3.90956  15.70550 0.56676  1.000 28.67029 ?  100 ALA A CB  1 
ATOM   791 N N   . LYS A 1 101 ? 2.62971  13.47874 2.44112  1.000 29.06569 ?  101 LYS A N   1 
ATOM   792 C CA  . LYS A 1 101 ? 2.46524  12.07029 2.78362  1.000 35.13123 ?  101 LYS A CA  1 
ATOM   793 C C   . LYS A 1 101 ? 1.00709  11.65787 2.65353  1.000 36.13912 ?  101 LYS A C   1 
ATOM   794 O O   . LYS A 1 101 ? 0.69473  10.64431 2.01663  1.000 40.97820 ?  101 LYS A O   1 
ATOM   795 C CB  . LYS A 1 101 ? 2.99663  11.79399 4.19095  1.000 34.82284 ?  101 LYS A CB  1 
ATOM   796 C CG  . LYS A 1 101 ? 2.94974  10.32586 4.62075  1.000 38.77578 ?  101 LYS A CG  1 
ATOM   797 C CD  . LYS A 1 101 ? 3.03689  10.19857 6.15015  1.000 41.58678 ?  101 LYS A CD  1 
ATOM   798 C CE  . LYS A 1 101 ? 2.70660  8.78080  6.64734  1.000 45.54421 ?  101 LYS A CE  1 
ATOM   799 N NZ  . LYS A 1 101 ? 3.89415  8.03141  7.20001  1.000 44.50682 ?  101 LYS A NZ  1 
ATOM   800 N N   . LEU A 1 102 ? 0.08959  12.47511 3.18701  1.000 39.11712 ?  102 LEU A N   1 
ATOM   801 C CA  . LEU A 1 102 ? -1.32598 12.13301 3.07050  1.000 35.47966 ?  102 LEU A CA  1 
ATOM   802 C C   . LEU A 1 102 ? -1.75746 12.12238 1.61255  1.000 36.05066 ?  102 LEU A C   1 
ATOM   803 O O   . LEU A 1 102 ? -2.58716 11.29778 1.21015  1.000 42.15249 ?  102 LEU A O   1 
ATOM   804 C CB  . LEU A 1 102 ? -2.18562 13.10926 3.86650  1.000 31.37137 ?  102 LEU A CB  1 
ATOM   805 C CG  . LEU A 1 102 ? -1.95133 13.26024 5.36767  1.000 29.14340 ?  102 LEU A CG  1 
ATOM   806 C CD1 . LEU A 1 102 ? -2.86924 14.34452 5.90259  1.000 26.93254 ?  102 LEU A CD1 1 
ATOM   807 C CD2 . LEU A 1 102 ? -2.20439 11.95882 6.09280  1.000 28.48410 ?  102 LEU A CD2 1 
ATOM   808 N N   . LEU A 1 103 ? -1.19793 13.03142 0.80313  1.000 36.47059 ?  103 LEU A N   1 
ATOM   809 C CA  . LEU A 1 103 ? -1.49586 13.02289 -0.62537 1.000 36.33602 ?  103 LEU A CA  1 
ATOM   810 C C   . LEU A 1 103 ? -0.95863 11.75506 -1.27151 1.000 41.33646 ?  103 LEU A C   1 
ATOM   811 O O   . LEU A 1 103 ? -1.64589 11.12889 -2.08538 1.000 50.17067 ?  103 LEU A O   1 
ATOM   812 C CB  . LEU A 1 103 ? -0.90379 14.26371 -1.29952 1.000 36.08937 ?  103 LEU A CB  1 
ATOM   813 C CG  . LEU A 1 103 ? -1.77585 15.47200 -1.67186 1.000 33.05403 ?  103 LEU A CG  1 
ATOM   814 C CD1 . LEU A 1 103 ? -2.36942 16.13022 -0.44337 1.000 34.35147 ?  103 LEU A CD1 1 
ATOM   815 C CD2 . LEU A 1 103 ? -0.93154 16.48441 -2.42878 1.000 41.96774 ?  103 LEU A CD2 1 
ATOM   816 N N   . GLU A 1 104 ? 0.25237  11.33434 -0.89127 1.000 43.46369 ?  104 GLU A N   1 
ATOM   817 C CA  . GLU A 1 104 ? 0.85083  10.16846 -1.53798 1.000 51.88608 ?  104 GLU A CA  1 
ATOM   818 C C   . GLU A 1 104 ? 0.21973  8.85939  -1.09323 1.000 52.36602 ?  104 GLU A C   1 
ATOM   819 O O   . GLU A 1 104 ? 0.57122  7.80945  -1.64015 1.000 59.88261 ?  104 GLU A O   1 
ATOM   820 C CB  . GLU A 1 104 ? 2.36271  10.12139 -1.28124 1.000 49.11029 ?  104 GLU A CB  1 
ATOM   821 C CG  . GLU A 1 104 ? 3.19812  10.74008 -2.40435 1.000 55.15979 ?  104 GLU A CG  1 
ATOM   822 C CD  . GLU A 1 104 ? 4.42557  11.49569 -1.89431 1.000 58.96745 ?  104 GLU A CD  1 
ATOM   823 O OE1 . GLU A 1 104 ? 4.97915  11.11701 -0.83373 1.000 59.42260 ?  104 GLU A OE1 1 
ATOM   824 O OE2 . GLU A 1 104 ? 4.82020  12.49260 -2.54256 1.000 54.77144 ?  104 GLU A OE2 1 
ATOM   825 N N   . ASP A 1 105 ? -0.68796 8.89131  -0.12409 1.000 50.24835 ?  105 ASP A N   1 
ATOM   826 C CA  . ASP A 1 105 ? -1.36056 7.68279  0.31919  1.000 49.33142 ?  105 ASP A CA  1 
ATOM   827 C C   . ASP A 1 105 ? -2.79882 7.66696  -0.18321 1.000 53.26107 ?  105 ASP A C   1 
ATOM   828 O O   . ASP A 1 105 ? -3.67737 8.30263  0.39835  1.000 57.26990 ?  105 ASP A O   1 
ATOM   829 C CB  . ASP A 1 105 ? -1.31889 7.56868  1.84664  1.000 51.38616 ?  105 ASP A CB  1 
ATOM   830 C CG  . ASP A 1 105 ? 0.10594  7.59836  2.40310  1.000 60.09597 ?  105 ASP A CG  1 
ATOM   831 O OD1 . ASP A 1 105 ? 1.07110  7.56065  1.59921  1.000 61.10933 ?  105 ASP A OD1 1 
ATOM   832 O OD2 . ASP A 1 105 ? 0.25881  7.65085  3.64792  1.000 56.40647 ?  105 ASP A OD2 1 
HETATM 833 O O   . HOH B 2 .   ? 2.50200  25.05301 7.32007  1.000 30.20336 ?  201 HOH A O   1 
HETATM 834 O O   . HOH B 2 .   ? -7.38064 26.90327 11.62615 1.000 24.85968 ?  202 HOH A O   1 
HETATM 835 O O   . HOH B 2 .   ? 0.17664  20.47457 19.50840 1.000 15.64398 ?  203 HOH A O   1 
HETATM 836 O O   . HOH B 2 .   ? 19.65729 35.90590 14.84976 1.000 22.80640 ?  204 HOH A O   1 
HETATM 837 O O   . HOH B 2 .   ? -0.44353 13.20695 21.95836 1.000 35.45402 ?  205 HOH A O   1 
HETATM 838 O O   . HOH B 2 .   ? 18.713   34.035   18.020   1.000 33.42338 ?  206 HOH A O   1 
HETATM 839 O O   . HOH B 2 .   ? 0.74185  21.55393 4.46040  1.000 28.85281 ?  207 HOH A O   1 
HETATM 840 O O   . HOH B 2 .   ? 3.94495  10.37810 23.51318 1.000 27.99825 ?  208 HOH A O   1 
HETATM 841 O O   . HOH B 2 .   ? 7.60796  11.55608 12.61513 1.000 24.57629 ?  209 HOH A O   1 
HETATM 842 O O   . HOH B 2 .   ? 14.27477 24.84534 39.94760 1.000 30.77998 ?  210 HOH A O   1 
HETATM 843 O O   . HOH B 2 .   ? -7.19311 25.02847 19.23016 1.000 15.95227 ?  211 HOH A O   1 
HETATM 844 O O   . HOH B 2 .   ? 9.65231  7.34577  18.85730 1.000 26.85600 ?  212 HOH A O   1 
HETATM 845 O O   . HOH B 2 .   ? 12.09940 19.77522 43.45619 1.000 26.06475 ?  213 HOH A O   1 
HETATM 846 O O   . HOH B 2 .   ? -5.91730 21.21610 21.95058 1.000 22.00368 ?  214 HOH A O   1 
HETATM 847 O O   . HOH B 2 .   ? 16.76791 21.57738 16.28533 1.000 18.16248 ?  215 HOH A O   1 
HETATM 848 O O   . HOH B 2 .   ? 18.31461 21.90826 18.66135 1.000 22.65857 ?  216 HOH A O   1 
HETATM 849 O O   . HOH B 2 .   ? 11.56868 31.21844 29.96081 1.000 28.88905 ?  217 HOH A O   1 
HETATM 850 O O   . HOH B 2 .   ? 19.33923 18.08596 21.28894 1.000 27.78440 ?  218 HOH A O   1 
HETATM 851 O O   . HOH B 2 .   ? 2.53596  13.82421 -2.49551 1.000 38.51025 ?  219 HOH A O   1 
HETATM 852 O O   . HOH B 2 .   ? 20.50782 21.49670 38.92672 1.000 32.35377 ?  220 HOH A O   1 
HETATM 853 O O   . HOH B 2 .   ? 20.681   12.224   38.698   1.000 34.99031 ?  221 HOH A O   1 
HETATM 854 O O   . HOH B 2 .   ? 3.24601  33.93178 16.68942 1.000 32.58834 ?  222 HOH A O   1 
HETATM 855 O O   . HOH B 2 .   ? 13.70571 35.76301 25.29610 1.000 29.31443 ?  223 HOH A O   1 
HETATM 856 O O   . HOH B 2 .   ? -4.62713 16.76713 18.44782 1.000 34.10812 ?  224 HOH A O   1 
HETATM 857 O O   . HOH B 2 .   ? 5.41794  27.22313 11.54488 1.000 21.59948 ?  225 HOH A O   1 
HETATM 858 O O   . HOH B 2 .   ? 12.06180 32.43165 14.74463 1.000 26.55881 ?  226 HOH A O   1 
HETATM 859 O O   . HOH B 2 .   ? 20.21579 16.23574 41.03634 1.000 29.35589 ?  227 HOH A O   1 
HETATM 860 O O   . HOH B 2 .   ? 14.19169 24.68421 9.95442  1.000 29.45626 ?  228 HOH A O   1 
HETATM 861 O O   . HOH B 2 .   ? 15.16971 10.40666 18.48567 1.000 31.04689 ?  229 HOH A O   1 
HETATM 862 O O   . HOH B 2 .   ? 17.53917 12.87366 36.27082 1.000 28.84977 ?  230 HOH A O   1 
HETATM 863 O O   . HOH B 2 .   ? 2.87986  21.00611 20.27468 1.000 19.33836 ?  231 HOH A O   1 
HETATM 864 O O   . HOH B 2 .   ? 3.00581  31.88487 28.92379 1.000 38.00887 ?  232 HOH A O   1 
HETATM 865 O O   . HOH B 2 .   ? -6.85997 21.01734 12.05772 1.000 18.14065 ?  233 HOH A O   1 
HETATM 866 O O   . HOH B 2 .   ? 13.39769 12.13583 15.22033 1.000 30.37456 ?  234 HOH A O   1 
HETATM 867 O O   . HOH B 2 .   ? -1.85334 19.99144 27.17976 1.000 25.24557 ?  235 HOH A O   1 
HETATM 868 O O   . HOH B 2 .   ? 18.31371 15.78710 26.17944 1.000 30.49652 ?  236 HOH A O   1 
HETATM 869 O O   . HOH B 2 .   ? 11.68833 29.73962 11.83225 1.000 21.02310 ?  237 HOH A O   1 
HETATM 870 O O   . HOH B 2 .   ? 6.64886  33.98067 24.90883 1.000 21.59007 ?  238 HOH A O   1 
HETATM 871 O O   . HOH B 2 .   ? 19.89724 31.63502 14.40592 1.000 38.83845 ?  239 HOH A O   1 
HETATM 872 O O   . HOH B 2 .   ? -1.95149 10.32207 9.59984  1.000 35.20525 ?  240 HOH A O   1 
HETATM 873 O O   . HOH B 2 .   ? 15.28975 18.77733 27.14679 1.000 18.06576 ?  241 HOH A O   1 
HETATM 874 O O   . HOH B 2 .   ? -6.07114 16.52414 13.14403 1.000 21.97762 ?  242 HOH A O   1 
HETATM 875 O O   . HOH B 2 .   ? 14.70827 13.77514 27.66749 1.000 26.45164 ?  243 HOH A O   1 
HETATM 876 O O   . HOH B 2 .   ? 7.07414  7.47718  18.32086 1.000 26.06046 ?  244 HOH A O   1 
HETATM 877 O O   . HOH B 2 .   ? 16.69294 9.87154  39.60225 1.000 18.80265 ?  245 HOH A O   1 
HETATM 878 O O   . HOH B 2 .   ? 5.89384  18.87145 21.86309 1.000 17.21873 ?  246 HOH A O   1 
HETATM 879 O O   . HOH B 2 .   ? -3.71984 11.69742 16.80107 1.000 35.38284 ?  247 HOH A O   1 
HETATM 880 O O   . HOH B 2 .   ? 10.81821 37.26940 25.69996 1.000 23.10368 ?  248 HOH A O   1 
HETATM 881 O O   . HOH B 2 .   ? 9.40760  28.99816 33.20944 1.000 34.46834 ?  249 HOH A O   1 
HETATM 882 O O   . HOH B 2 .   ? -3.03822 13.91032 24.46057 1.000 42.93647 ?  250 HOH A O   1 
HETATM 883 O O   . HOH B 2 .   ? 11.28353 20.01058 9.73746  1.000 26.75127 ?  251 HOH A O   1 
HETATM 884 O O   . HOH B 2 .   ? 3.40777  17.53788 28.12185 1.000 27.63893 ?  252 HOH A O   1 
HETATM 885 O O   . HOH B 2 .   ? 20.58828 28.30404 19.22690 1.000 31.53100 ?  253 HOH A O   1 
HETATM 886 O O   . HOH B 2 .   ? 16.16925 23.98096 14.94735 1.000 26.58095 ?  254 HOH A O   1 
HETATM 887 O O   . HOH B 2 .   ? 3.65672  15.52497 33.18008 1.000 35.39122 ?  255 HOH A O   1 
HETATM 888 O O   . HOH B 2 .   ? 18.18505 29.26087 17.12340 1.000 26.90150 ?  256 HOH A O   1 
HETATM 889 O O   . HOH B 2 .   ? 13.02460 8.65857  20.70954 1.000 30.79219 ?  257 HOH A O   1 
HETATM 890 O O   . HOH B 2 .   ? 1.77188  24.78203 30.35461 1.000 26.50579 ?  258 HOH A O   1 
HETATM 891 O O   . HOH B 2 .   ? 21.48105 28.59176 21.52347 1.000 35.82301 ?  259 HOH A O   1 
HETATM 892 O O   . HOH B 2 .   ? 8.08701  30.02443 30.65531 1.000 26.13737 ?  260 HOH A O   1 
HETATM 893 O O   . HOH B 2 .   ? 16.93907 14.50679 16.75477 1.000 26.87445 ?  261 HOH A O   1 
HETATM 894 O O   . HOH B 2 .   ? 5.200    6.670    28.652   1.000 50.19560 ?  262 HOH A O   1 
HETATM 895 O O   . HOH B 2 .   ? 3.16834  4.79742  23.81184 1.000 45.24690 ?  263 HOH A O   1 
HETATM 896 O O   . HOH B 2 .   ? -4.27858 11.73422 12.90973 1.000 26.72548 ?  264 HOH A O   1 
HETATM 897 O O   . HOH B 2 .   ? 11.42262 31.33501 17.00676 1.000 14.00242 ?  265 HOH A O   1 
HETATM 898 O O   . HOH B 2 .   ? -1.00859 18.24128 28.62241 1.000 30.84639 ?  266 HOH A O   1 
HETATM 899 O O   . HOH B 2 .   ? 10.33461 13.40123 5.80510  1.000 29.93177 ?  267 HOH A O   1 
HETATM 900 O O   . HOH B 2 .   ? -4.74025 14.20928 10.80251 1.000 25.98580 ?  268 HOH A O   1 
HETATM 901 O O   . HOH B 2 .   ? 12.34641 17.94901 11.48396 1.000 31.97154 ?  269 HOH A O   1 
HETATM 902 O O   . HOH B 2 .   ? 12.44613 11.61271 12.73850 1.000 25.44274 ?  270 HOH A O   1 
HETATM 903 O O   . HOH B 2 .   ? 20.74588 18.44841 23.49731 1.000 35.67916 ?  271 HOH A O   1 
HETATM 904 O O   . HOH B 2 .   ? -2.05628 9.40104  -4.97919 1.000 46.21760 ?  272 HOH A O   1 
HETATM 905 O O   . HOH B 2 .   ? -8.20582 17.86567 20.33003 1.000 31.79516 ?  273 HOH A O   1 
HETATM 906 O O   . HOH B 2 .   ? 10.13765 9.63013  12.93169 1.000 33.55879 ?  274 HOH A O   1 
HETATM 907 O O   . HOH B 2 .   ? 9.08459  35.06216 26.47510 1.000 32.34346 ?  275 HOH A O   1 
HETATM 908 O O   . HOH B 2 .   ? 17.56057 14.38602 19.19658 1.000 25.12744 ?  276 HOH A O   1 
HETATM 909 O O   . HOH B 2 .   ? 1.46058  17.06312 31.67077 1.000 42.51345 ?  277 HOH A O   1 
HETATM 910 O O   . HOH B 2 .   ? 15.91675 12.11129 16.15863 1.000 28.26983 ?  278 HOH A O   1 
HETATM 911 O O   . HOH B 2 .   ? 14.549   38.756   25.054   1.000 25.70707 ?  279 HOH A O   1 
HETATM 912 O O   . HOH B 2 .   ? 16.871   36.004   21.963   1.000 28.41266 ?  280 HOH A O   1 
HETATM 913 O O   . HOH B 2 .   ? 1.93821  23.79988 4.01067  1.000 38.56123 ?  281 HOH A O   1 
HETATM 914 O O   . HOH B 2 .   ? 18.52906 18.23796 13.52531 1.000 38.66590 ?  282 HOH A O   1 
HETATM 915 O O   . HOH B 2 .   ? 6.83693  18.03414 0.78093  1.000 34.78986 ?  283 HOH A O   1 
HETATM 916 O O   . HOH B 2 .   ? 15.96764 16.33310 27.93868 1.000 30.25102 ?  284 HOH A O   1 
HETATM 917 O O   . HOH B 2 .   ? -2.544   24.332   28.455   1.000 38.39070 ?  285 HOH A O   1 
HETATM 918 O O   . HOH B 2 .   ? 1.58562  6.79345  25.30643 1.000 51.43803 ?  286 HOH A O   1 
HETATM 919 O O   . HOH B 2 .   ? 2.69667  16.07339 -2.88988 1.000 34.72353 ?  287 HOH A O   1 
HETATM 920 O O   . HOH B 2 .   ? 1.84609  11.82941 24.13669 1.000 32.05069 ?  288 HOH A O   1 
HETATM 921 O O   . HOH B 2 .   ? 20.79219 20.66742 19.21418 1.000 28.28133 ?  289 HOH A O   1 
HETATM 922 O O   . HOH B 2 .   ? 12.06291 18.02703 6.14330  1.000 37.67087 ?  290 HOH A O   1 
HETATM 923 O O   . HOH B 2 .   ? 14.14395 10.22087 10.96578 1.000 33.93106 ?  291 HOH A O   1 
HETATM 924 O O   . HOH B 2 .   ? 18.77691 20.22535 14.74683 1.000 31.45778 ?  292 HOH A O   1 
HETATM 925 O O   . HOH B 2 .   ? 21.97684 20.59413 23.34094 1.000 30.76128 ?  293 HOH A O   1 
HETATM 926 O O   . HOH B 2 .   ? 7.71257  15.22631 1.24425  1.000 36.75291 ?  294 HOH A O   1 
HETATM 927 O O   . HOH B 2 .   ? 19.41306 15.46042 20.29275 1.000 27.80658 ?  295 HOH A O   1 
HETATM 928 O O   . HOH B 2 .   ? 11.38111 30.30646 33.84514 1.000 33.58053 ?  296 HOH A O   1 
HETATM 929 O O   . HOH B 2 .   ? 11.48348 19.06514 3.54143  1.000 34.87811 ?  297 HOH A O   1 
HETATM 930 O O   . HOH B 2 .   ? 18.82034 19.27937 11.32876 1.000 51.10189 ?  298 HOH A O   1 
HETATM 931 O O   . HOH B 2 .   ? 20.26053 14.17804 22.49903 1.000 34.83827 ?  299 HOH A O   1 
HETATM 932 O O   . HOH B 2 .   ? 23.73804 28.13690 20.59670 1.000 44.65169 ?  300 HOH A O   1 
# 
