data_8YQC
# 
_entry.id   8YQC 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.402 
_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   8YQC         pdb_00008yqc 10.2210/pdb8yqc/pdb 
WWPDB D_1300046157 ?            ?                   
# 
_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       2025-03-26 
_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                        8YQC 
_pdbx_database_status.recvd_initial_deposition_date   2024-03-19 
_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              sujy100@nenu.edu.cn 
_pdbx_contact_author.name_first         Jiyong 
_pdbx_contact_author.name_last          Su 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-8406-1676 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Su, J.Y.'  1 ? 
'Sun, Y.Q.' 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                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     'Galectin-10 C29AC57A' 
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Su, J.Y.'  1 ? 
primary 'Sun, Y.Q.' 2 ? 
# 
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 Galectin-10 16407.703 1   ? 'C29A, C57A' ? ? 
2 water   nat water       18.015    117 ? ?            ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Gal-10,Charcot-Leyden crystal protein,CLC,Eosinophil lysophospholipase,Lysolecithin acylhydrolase' 
# 
_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       
;MSLLPVPYTEAASLSTGSTVTIKGRPLAAFLNEPYLQVDFHTEMKEESDIVFHFQVAFGRRVVMNSREYGAWKQQVESKN
MPFQDGQEFELSISVLPDKYQVMVNGQSSYTFDHRIKPEAVKMVQVWRDISLTKFNVSYLKR
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MSLLPVPYTEAASLSTGSTVTIKGRPLAAFLNEPYLQVDFHTEMKEESDIVFHFQVAFGRRVVMNSREYGAWKQQVESKN
MPFQDGQEFELSISVLPDKYQVMVNGQSSYTFDHRIKPEAVKMVQVWRDISLTKFNVSYLKR
;
_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   SER n 
1 3   LEU n 
1 4   LEU n 
1 5   PRO n 
1 6   VAL n 
1 7   PRO n 
1 8   TYR n 
1 9   THR n 
1 10  GLU n 
1 11  ALA n 
1 12  ALA n 
1 13  SER n 
1 14  LEU n 
1 15  SER n 
1 16  THR n 
1 17  GLY n 
1 18  SER n 
1 19  THR n 
1 20  VAL n 
1 21  THR n 
1 22  ILE n 
1 23  LYS n 
1 24  GLY n 
1 25  ARG n 
1 26  PRO n 
1 27  LEU n 
1 28  ALA n 
1 29  ALA n 
1 30  PHE n 
1 31  LEU n 
1 32  ASN n 
1 33  GLU n 
1 34  PRO n 
1 35  TYR n 
1 36  LEU n 
1 37  GLN n 
1 38  VAL n 
1 39  ASP n 
1 40  PHE n 
1 41  HIS n 
1 42  THR n 
1 43  GLU n 
1 44  MET n 
1 45  LYS n 
1 46  GLU n 
1 47  GLU n 
1 48  SER n 
1 49  ASP n 
1 50  ILE n 
1 51  VAL n 
1 52  PHE n 
1 53  HIS n 
1 54  PHE n 
1 55  GLN n 
1 56  VAL n 
1 57  ALA n 
1 58  PHE n 
1 59  GLY n 
1 60  ARG n 
1 61  ARG n 
1 62  VAL n 
1 63  VAL n 
1 64  MET n 
1 65  ASN n 
1 66  SER n 
1 67  ARG n 
1 68  GLU n 
1 69  TYR n 
1 70  GLY n 
1 71  ALA n 
1 72  TRP n 
1 73  LYS n 
1 74  GLN n 
1 75  GLN n 
1 76  VAL n 
1 77  GLU n 
1 78  SER n 
1 79  LYS n 
1 80  ASN n 
1 81  MET n 
1 82  PRO n 
1 83  PHE n 
1 84  GLN n 
1 85  ASP n 
1 86  GLY n 
1 87  GLN n 
1 88  GLU n 
1 89  PHE n 
1 90  GLU n 
1 91  LEU n 
1 92  SER n 
1 93  ILE n 
1 94  SER n 
1 95  VAL n 
1 96  LEU n 
1 97  PRO n 
1 98  ASP n 
1 99  LYS n 
1 100 TYR n 
1 101 GLN n 
1 102 VAL n 
1 103 MET n 
1 104 VAL n 
1 105 ASN n 
1 106 GLY n 
1 107 GLN n 
1 108 SER n 
1 109 SER n 
1 110 TYR n 
1 111 THR n 
1 112 PHE n 
1 113 ASP n 
1 114 HIS n 
1 115 ARG n 
1 116 ILE n 
1 117 LYS n 
1 118 PRO n 
1 119 GLU n 
1 120 ALA n 
1 121 VAL n 
1 122 LYS n 
1 123 MET n 
1 124 VAL n 
1 125 GLN n 
1 126 VAL n 
1 127 TRP n 
1 128 ARG n 
1 129 ASP n 
1 130 ILE n 
1 131 SER n 
1 132 LEU n 
1 133 THR n 
1 134 LYS n 
1 135 PHE n 
1 136 ASN n 
1 137 VAL n 
1 138 SER n 
1 139 TYR n 
1 140 LEU n 
1 141 LYS n 
1 142 ARG 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                   142 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'CLC, LGALS10, LGALS10A' 
_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      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE         ? 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE        ? 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE      ? 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE        ? 'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE       ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE         ? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE       ? 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER           ? 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE      ? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE         ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE          ? 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE      ? 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE   ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE         ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE          ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE       ? 'C4 H9 N O3'     119.119 
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   ?   ?   ?   A . n 
A 1 2   SER 2   2   ?   ?   ?   A . n 
A 1 3   LEU 3   3   ?   ?   ?   A . n 
A 1 4   LEU 4   4   4   LEU LEU A . n 
A 1 5   PRO 5   5   5   PRO PRO A . n 
A 1 6   VAL 6   6   6   VAL VAL A . n 
A 1 7   PRO 7   7   7   PRO PRO A . n 
A 1 8   TYR 8   8   8   TYR TYR A . n 
A 1 9   THR 9   9   9   THR THR A . n 
A 1 10  GLU 10  10  10  GLU GLU A . n 
A 1 11  ALA 11  11  11  ALA ALA A . n 
A 1 12  ALA 12  12  12  ALA ALA A . n 
A 1 13  SER 13  13  13  SER SER A . n 
A 1 14  LEU 14  14  14  LEU LEU A . n 
A 1 15  SER 15  15  15  SER SER A . n 
A 1 16  THR 16  16  16  THR THR A . n 
A 1 17  GLY 17  17  17  GLY GLY A . n 
A 1 18  SER 18  18  18  SER SER A . n 
A 1 19  THR 19  19  19  THR THR A . n 
A 1 20  VAL 20  20  20  VAL VAL A . n 
A 1 21  THR 21  21  21  THR THR A . n 
A 1 22  ILE 22  22  22  ILE ILE A . n 
A 1 23  LYS 23  23  23  LYS LYS A . n 
A 1 24  GLY 24  24  24  GLY GLY A . n 
A 1 25  ARG 25  25  25  ARG ARG A . n 
A 1 26  PRO 26  26  26  PRO PRO A . n 
A 1 27  LEU 27  27  27  LEU LEU A . n 
A 1 28  ALA 28  28  28  ALA ALA A . n 
A 1 29  ALA 29  29  29  ALA ALA A . n 
A 1 30  PHE 30  30  30  PHE PHE A . n 
A 1 31  LEU 31  31  31  LEU LEU A . n 
A 1 32  ASN 32  32  32  ASN ASN A . n 
A 1 33  GLU 33  33  33  GLU GLU A . n 
A 1 34  PRO 34  34  34  PRO PRO A . n 
A 1 35  TYR 35  35  35  TYR TYR A . n 
A 1 36  LEU 36  36  36  LEU LEU A . n 
A 1 37  GLN 37  37  37  GLN GLN A . n 
A 1 38  VAL 38  38  38  VAL VAL A . n 
A 1 39  ASP 39  39  39  ASP ASP A . n 
A 1 40  PHE 40  40  40  PHE PHE A . n 
A 1 41  HIS 41  41  41  HIS HIS A . n 
A 1 42  THR 42  42  42  THR THR A . n 
A 1 43  GLU 43  43  43  GLU GLU A . n 
A 1 44  MET 44  44  44  MET MET A . n 
A 1 45  LYS 45  45  45  LYS LYS A . n 
A 1 46  GLU 46  46  46  GLU GLU A . n 
A 1 47  GLU 47  47  47  GLU GLU A . n 
A 1 48  SER 48  48  48  SER SER A . n 
A 1 49  ASP 49  49  49  ASP ASP A . n 
A 1 50  ILE 50  50  50  ILE ILE A . n 
A 1 51  VAL 51  51  51  VAL VAL A . n 
A 1 52  PHE 52  52  52  PHE PHE 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  VAL 56  56  56  VAL VAL A . n 
A 1 57  ALA 57  57  57  ALA ALA A . n 
A 1 58  PHE 58  58  58  PHE PHE A . n 
A 1 59  GLY 59  59  59  GLY GLY A . n 
A 1 60  ARG 60  60  60  ARG ARG A . n 
A 1 61  ARG 61  61  61  ARG ARG A . n 
A 1 62  VAL 62  62  62  VAL VAL A . n 
A 1 63  VAL 63  63  63  VAL VAL A . n 
A 1 64  MET 64  64  64  MET MET A . n 
A 1 65  ASN 65  65  65  ASN ASN A . n 
A 1 66  SER 66  66  66  SER SER A . n 
A 1 67  ARG 67  67  67  ARG ARG A . n 
A 1 68  GLU 68  68  68  GLU GLU A . n 
A 1 69  TYR 69  69  69  TYR TYR A . n 
A 1 70  GLY 70  70  70  GLY GLY A . n 
A 1 71  ALA 71  71  71  ALA ALA A . n 
A 1 72  TRP 72  72  72  TRP TRP A . n 
A 1 73  LYS 73  73  73  LYS LYS A . n 
A 1 74  GLN 74  74  74  GLN GLN A . n 
A 1 75  GLN 75  75  75  GLN GLN A . n 
A 1 76  VAL 76  76  76  VAL VAL A . n 
A 1 77  GLU 77  77  77  GLU GLU A . n 
A 1 78  SER 78  78  78  SER SER A . n 
A 1 79  LYS 79  79  79  LYS LYS A . n 
A 1 80  ASN 80  80  80  ASN ASN A . n 
A 1 81  MET 81  81  81  MET MET A . n 
A 1 82  PRO 82  82  82  PRO PRO A . n 
A 1 83  PHE 83  83  83  PHE PHE A . n 
A 1 84  GLN 84  84  84  GLN GLN A . n 
A 1 85  ASP 85  85  85  ASP ASP A . n 
A 1 86  GLY 86  86  86  GLY GLY A . n 
A 1 87  GLN 87  87  87  GLN GLN A . n 
A 1 88  GLU 88  88  88  GLU GLU A . n 
A 1 89  PHE 89  89  89  PHE PHE A . n 
A 1 90  GLU 90  90  90  GLU GLU A . n 
A 1 91  LEU 91  91  91  LEU LEU A . n 
A 1 92  SER 92  92  92  SER SER A . n 
A 1 93  ILE 93  93  93  ILE ILE A . n 
A 1 94  SER 94  94  94  SER SER A . n 
A 1 95  VAL 95  95  95  VAL VAL A . n 
A 1 96  LEU 96  96  96  LEU LEU A . n 
A 1 97  PRO 97  97  97  PRO PRO A . n 
A 1 98  ASP 98  98  98  ASP ASP A . n 
A 1 99  LYS 99  99  99  LYS LYS A . n 
A 1 100 TYR 100 100 100 TYR TYR A . n 
A 1 101 GLN 101 101 101 GLN GLN A . n 
A 1 102 VAL 102 102 102 VAL VAL A . n 
A 1 103 MET 103 103 103 MET MET A . n 
A 1 104 VAL 104 104 104 VAL VAL A . n 
A 1 105 ASN 105 105 105 ASN ASN A . n 
A 1 106 GLY 106 106 106 GLY GLY A . n 
A 1 107 GLN 107 107 107 GLN GLN A . n 
A 1 108 SER 108 108 108 SER SER A . n 
A 1 109 SER 109 109 109 SER SER A . n 
A 1 110 TYR 110 110 110 TYR TYR A . n 
A 1 111 THR 111 111 111 THR THR A . n 
A 1 112 PHE 112 112 112 PHE PHE A . n 
A 1 113 ASP 113 113 113 ASP ASP A . n 
A 1 114 HIS 114 114 114 HIS HIS A . n 
A 1 115 ARG 115 115 115 ARG ARG A . n 
A 1 116 ILE 116 116 116 ILE ILE A . n 
A 1 117 LYS 117 117 117 LYS LYS A . n 
A 1 118 PRO 118 118 118 PRO PRO A . n 
A 1 119 GLU 119 119 119 GLU GLU A . n 
A 1 120 ALA 120 120 120 ALA ALA A . n 
A 1 121 VAL 121 121 121 VAL VAL A . n 
A 1 122 LYS 122 122 122 LYS LYS A . n 
A 1 123 MET 123 123 123 MET MET A . n 
A 1 124 VAL 124 124 124 VAL VAL A . n 
A 1 125 GLN 125 125 125 GLN GLN A . n 
A 1 126 VAL 126 126 126 VAL VAL A . n 
A 1 127 TRP 127 127 127 TRP TRP A . n 
A 1 128 ARG 128 128 128 ARG ARG A . n 
A 1 129 ASP 129 129 129 ASP ASP A . n 
A 1 130 ILE 130 130 130 ILE ILE A . n 
A 1 131 SER 131 131 131 SER SER A . n 
A 1 132 LEU 132 132 132 LEU LEU A . n 
A 1 133 THR 133 133 133 THR THR A . n 
A 1 134 LYS 134 134 134 LYS LYS A . n 
A 1 135 PHE 135 135 135 PHE PHE A . n 
A 1 136 ASN 136 136 136 ASN ASN A . n 
A 1 137 VAL 137 137 137 VAL VAL A . n 
A 1 138 SER 138 138 138 SER SER A . n 
A 1 139 TYR 139 139 139 TYR TYR A . n 
A 1 140 LEU 140 140 140 LEU LEU A . n 
A 1 141 LYS 141 141 ?   ?   ?   A . n 
A 1 142 ARG 142 142 ?   ?   ?   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 94  HOH HOH A . 
B 2 HOH 2   202 4   HOH HOH A . 
B 2 HOH 3   203 43  HOH HOH A . 
B 2 HOH 4   204 24  HOH HOH A . 
B 2 HOH 5   205 11  HOH HOH A . 
B 2 HOH 6   206 99  HOH HOH A . 
B 2 HOH 7   207 42  HOH HOH A . 
B 2 HOH 8   208 56  HOH HOH A . 
B 2 HOH 9   209 19  HOH HOH A . 
B 2 HOH 10  210 85  HOH HOH A . 
B 2 HOH 11  211 7   HOH HOH A . 
B 2 HOH 12  212 25  HOH HOH A . 
B 2 HOH 13  213 113 HOH HOH A . 
B 2 HOH 14  214 1   HOH HOH A . 
B 2 HOH 15  215 14  HOH HOH A . 
B 2 HOH 16  216 91  HOH HOH A . 
B 2 HOH 17  217 74  HOH HOH A . 
B 2 HOH 18  218 20  HOH HOH A . 
B 2 HOH 19  219 51  HOH HOH A . 
B 2 HOH 20  220 35  HOH HOH A . 
B 2 HOH 21  221 17  HOH HOH A . 
B 2 HOH 22  222 61  HOH HOH A . 
B 2 HOH 23  223 45  HOH HOH A . 
B 2 HOH 24  224 52  HOH HOH A . 
B 2 HOH 25  225 16  HOH HOH A . 
B 2 HOH 26  226 32  HOH HOH A . 
B 2 HOH 27  227 55  HOH HOH A . 
B 2 HOH 28  228 9   HOH HOH A . 
B 2 HOH 29  229 57  HOH HOH A . 
B 2 HOH 30  230 92  HOH HOH A . 
B 2 HOH 31  231 23  HOH HOH A . 
B 2 HOH 32  232 31  HOH HOH A . 
B 2 HOH 33  233 86  HOH HOH A . 
B 2 HOH 34  234 15  HOH HOH A . 
B 2 HOH 35  235 102 HOH HOH A . 
B 2 HOH 36  236 12  HOH HOH A . 
B 2 HOH 37  237 33  HOH HOH A . 
B 2 HOH 38  238 5   HOH HOH A . 
B 2 HOH 39  239 8   HOH HOH A . 
B 2 HOH 40  240 13  HOH HOH A . 
B 2 HOH 41  241 66  HOH HOH A . 
B 2 HOH 42  242 81  HOH HOH A . 
B 2 HOH 43  243 37  HOH HOH A . 
B 2 HOH 44  244 78  HOH HOH A . 
B 2 HOH 45  245 40  HOH HOH A . 
B 2 HOH 46  246 27  HOH HOH A . 
B 2 HOH 47  247 58  HOH HOH A . 
B 2 HOH 48  248 22  HOH HOH A . 
B 2 HOH 49  249 44  HOH HOH A . 
B 2 HOH 50  250 29  HOH HOH A . 
B 2 HOH 51  251 103 HOH HOH A . 
B 2 HOH 52  252 47  HOH HOH A . 
B 2 HOH 53  253 50  HOH HOH A . 
B 2 HOH 54  254 10  HOH HOH A . 
B 2 HOH 55  255 38  HOH HOH A . 
B 2 HOH 56  256 104 HOH HOH A . 
B 2 HOH 57  257 83  HOH HOH A . 
B 2 HOH 58  258 72  HOH HOH A . 
B 2 HOH 59  259 59  HOH HOH A . 
B 2 HOH 60  260 116 HOH HOH A . 
B 2 HOH 61  261 88  HOH HOH A . 
B 2 HOH 62  262 75  HOH HOH A . 
B 2 HOH 63  263 62  HOH HOH A . 
B 2 HOH 64  264 68  HOH HOH A . 
B 2 HOH 65  265 64  HOH HOH A . 
B 2 HOH 66  266 21  HOH HOH A . 
B 2 HOH 67  267 28  HOH HOH A . 
B 2 HOH 68  268 6   HOH HOH A . 
B 2 HOH 69  269 53  HOH HOH A . 
B 2 HOH 70  270 98  HOH HOH A . 
B 2 HOH 71  271 3   HOH HOH A . 
B 2 HOH 72  272 41  HOH HOH A . 
B 2 HOH 73  273 67  HOH HOH A . 
B 2 HOH 74  274 71  HOH HOH A . 
B 2 HOH 75  275 93  HOH HOH A . 
B 2 HOH 76  276 76  HOH HOH A . 
B 2 HOH 77  277 107 HOH HOH A . 
B 2 HOH 78  278 70  HOH HOH A . 
B 2 HOH 79  279 60  HOH HOH A . 
B 2 HOH 80  280 30  HOH HOH A . 
B 2 HOH 81  281 54  HOH HOH A . 
B 2 HOH 82  282 84  HOH HOH A . 
B 2 HOH 83  283 26  HOH HOH A . 
B 2 HOH 84  284 46  HOH HOH A . 
B 2 HOH 85  285 114 HOH HOH A . 
B 2 HOH 86  286 48  HOH HOH A . 
B 2 HOH 87  287 69  HOH HOH A . 
B 2 HOH 88  288 111 HOH HOH A . 
B 2 HOH 89  289 120 HOH HOH A . 
B 2 HOH 90  290 63  HOH HOH A . 
B 2 HOH 91  291 36  HOH HOH A . 
B 2 HOH 92  292 117 HOH HOH A . 
B 2 HOH 93  293 2   HOH HOH A . 
B 2 HOH 94  294 39  HOH HOH A . 
B 2 HOH 95  295 97  HOH HOH A . 
B 2 HOH 96  296 77  HOH HOH A . 
B 2 HOH 97  297 115 HOH HOH A . 
B 2 HOH 98  298 34  HOH HOH A . 
B 2 HOH 99  299 108 HOH HOH A . 
B 2 HOH 100 300 100 HOH HOH A . 
B 2 HOH 101 301 18  HOH HOH A . 
B 2 HOH 102 302 109 HOH HOH A . 
B 2 HOH 103 303 122 HOH HOH A . 
B 2 HOH 104 304 65  HOH HOH A . 
B 2 HOH 105 305 82  HOH HOH A . 
B 2 HOH 106 306 118 HOH HOH A . 
B 2 HOH 107 307 112 HOH HOH A . 
B 2 HOH 108 308 49  HOH HOH A . 
B 2 HOH 109 309 73  HOH HOH A . 
B 2 HOH 110 310 105 HOH HOH A . 
B 2 HOH 111 311 96  HOH HOH A . 
B 2 HOH 112 312 90  HOH HOH A . 
B 2 HOH 113 313 80  HOH HOH A . 
B 2 HOH 114 314 119 HOH HOH A . 
B 2 HOH 115 315 121 HOH HOH A . 
B 2 HOH 116 316 95  HOH HOH A . 
B 2 HOH 117 317 110 HOH HOH A . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1  1 Y 1 A LYS 45 ? CG  ? A LYS 45 CG  
2  1 Y 1 A LYS 45 ? CD  ? A LYS 45 CD  
3  1 Y 1 A LYS 45 ? CE  ? A LYS 45 CE  
4  1 Y 1 A LYS 45 ? NZ  ? A LYS 45 NZ  
5  1 Y 1 A ARG 60 ? CG  ? A ARG 60 CG  
6  1 Y 1 A ARG 60 ? CD  ? A ARG 60 CD  
7  1 Y 1 A ARG 60 ? NE  ? A ARG 60 NE  
8  1 Y 1 A ARG 60 ? CZ  ? A ARG 60 CZ  
9  1 Y 1 A ARG 60 ? NH1 ? A ARG 60 NH1 
10 1 Y 1 A ARG 60 ? NH2 ? A ARG 60 NH2 
11 1 Y 1 A GLU 90 ? CG  ? A GLU 90 CG  
12 1 Y 1 A GLU 90 ? CD  ? A GLU 90 CD  
13 1 Y 1 A GLU 90 ? OE1 ? A GLU 90 OE1 
14 1 Y 1 A GLU 90 ? OE2 ? A GLU 90 OE2 
# 
_software.citation_id            ? 
_software.classification         refinement 
_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                   PHENIX 
_software.os                     ? 
_software.os_version             ? 
_software.type                   ? 
_software.version                '(1.18.2_3874: ???)' 
_software.pdbx_ordinal           1 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  120.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8YQC 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     48.824 
_cell.length_a_esd                 ? 
_cell.length_b                     48.824 
_cell.length_b_esd                 ? 
_cell.length_c                     261.403 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        12 
_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                         8YQC 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                179 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 65 2 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   8YQC 
_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             2.74 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          55.12 
_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    PEG 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            298 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-06-30 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.97853 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'SSRF BEAMLINE BL18U1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.97853 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   BL18U1 
_diffrn_source.pdbx_synchrotron_site       SSRF 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8YQC 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.92 
_reflns.d_resolution_low                               19.6 
_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                                     14988 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           98.2 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                16.8 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          18.4 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   ? 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.106 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.92 
_reflns_shell.d_res_low                                     1.97 
_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                             995 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  ? 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.778 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               ? 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 8YQC 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.92 
_refine.ls_d_res_low                             19.60 
_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                     14863 
_refine.ls_number_reflns_R_free                  1486 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    98.06 
_refine.ls_percent_reflns_R_free                 10.00 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2071 
_refine.ls_R_factor_R_free                       0.2381 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2036 
_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                          1.35 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ML 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.11 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.90 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 22.50 
_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                            0.15 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.92 
_refine_hist.d_res_low                        19.60 
_refine_hist.number_atoms_solvent             117 
_refine_hist.number_atoms_total               1215 
_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        1098 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         0 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.010 ? 1140 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.257 ? 1547 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 6.987 ? 149  ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.068 ? 170  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.006 ? 199  ? f_plane_restr      ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.92 1.98  . . 131 1183 100.00 . . . . 0.2135 . . . . . . . . . . . 0.2545 
'X-RAY DIFFRACTION' 1.98 2.05  . . 135 1203 100.00 . . . . 0.2222 . . . . . . . . . . . 0.2602 
'X-RAY DIFFRACTION' 2.05 2.13  . . 132 1186 99.00  . . . . 0.2124 . . . . . . . . . . . 0.2420 
'X-RAY DIFFRACTION' 2.14 2.23  . . 136 1228 100.00 . . . . 0.2138 . . . . . . . . . . . 0.2335 
'X-RAY DIFFRACTION' 2.23 2.35  . . 131 1198 100.00 . . . . 0.2085 . . . . . . . . . . . 0.2296 
'X-RAY DIFFRACTION' 2.35 2.50  . . 135 1205 100.00 . . . . 0.2122 . . . . . . . . . . . 0.2485 
'X-RAY DIFFRACTION' 2.50 2.69  . . 136 1224 100.00 . . . . 0.2234 . . . . . . . . . . . 0.2890 
'X-RAY DIFFRACTION' 2.69 2.96  . . 136 1228 100.00 . . . . 0.2263 . . . . . . . . . . . 0.2911 
'X-RAY DIFFRACTION' 2.96 3.38  . . 141 1267 100.00 . . . . 0.2222 . . . . . . . . . . . 0.2473 
'X-RAY DIFFRACTION' 3.38 4.26  . . 116 1048 81.00  . . . . 0.1813 . . . . . . . . . . . 0.2118 
'X-RAY DIFFRACTION' 4.26 19.60 . . 157 1407 100.00 . . . . 0.1828 . . . . . . . . . . . 0.2114 
# 
_struct.entry_id                     8YQC 
_struct.title                        'Galectin-10 C29AC57A' 
_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        8YQC 
_struct_keywords.text            'Galectin-10 C29AC57A, SUGAR BINDING PROTEIN' 
_struct_keywords.pdbx_keywords   'SUGAR BINDING PROTEIN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    LEG10_HUMAN 
_struct_ref.pdbx_db_accession          Q05315 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;MSLLPVPYTEAASLSTGSTVTIKGRPLACFLNEPYLQVDFHTEMKEESDIVFHFQVCFGRRVVMNSREYGAWKQQVESKN
MPFQDGQEFELSISVLPDKYQVMVNGQSSYTFDHRIKPEAVKMVQVWRDISLTKFNVSYLKR
;
_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              8YQC 
_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                 142 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q05315 
_struct_ref_seq.db_align_beg                  1 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  142 
_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       142 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 8YQC ALA A 29 ? UNP Q05315 CYS 29 'engineered mutation' 29 1 
1 8YQC ALA A 57 ? UNP Q05315 CYS 57 'engineered mutation' 57 2 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2 
_pdbx_struct_assembly_gen.asym_id_list      A,B 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555  x,y,z        1.0000000000 0.0000000000  0.0000000000 0.0000000000 0.0000000000  1.0000000000 
0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000  0.0000000000  
2 'crystal symmetry operation' 10_555 -y,-x,-z+1/6 0.5000000000 -0.8660254038 0.0000000000 0.0000000000 -0.8660254038 
-0.5000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 43.5671666667 
# 
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 ALA A 29  ? GLU A 33  ? ALA A 29  GLU A 33  5 ? 5 
HELX_P HELX_P2 AA2 LYS A 117 ? VAL A 121 ? LYS A 117 VAL A 121 5 ? 5 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          VAL 
_struct_mon_prot_cis.label_seq_id           6 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           VAL 
_struct_mon_prot_cis.auth_seq_id            6 
_struct_mon_prot_cis.auth_asym_id           A 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    7 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     7 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    A 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       1.62 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 6 ? 
AA2 ? 6 ? 
AA3 ? 5 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
AA3 1 2 ? anti-parallel 
AA3 2 3 ? anti-parallel 
AA3 3 4 ? anti-parallel 
AA3 4 5 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 TYR A 8   ? ALA A 11  ? TYR A 8   ALA A 11  
AA1 2 MET A 123 ? ARG A 128 ? MET A 123 ARG A 128 
AA1 3 TYR A 35  ? HIS A 41  ? TYR A 35  HIS A 41  
AA1 4 ILE A 50  ? ALA A 57  ? ILE A 50  ALA A 57  
AA1 5 ARG A 61  ? GLU A 68  ? ARG A 61  GLU A 68  
AA1 6 ALA A 71  ? TRP A 72  ? ALA A 71  TRP A 72  
AA2 1 TYR A 8   ? ALA A 11  ? TYR A 8   ALA A 11  
AA2 2 MET A 123 ? ARG A 128 ? MET A 123 ARG A 128 
AA2 3 TYR A 35  ? HIS A 41  ? TYR A 35  HIS A 41  
AA2 4 ILE A 50  ? ALA A 57  ? ILE A 50  ALA A 57  
AA2 5 ARG A 61  ? GLU A 68  ? ARG A 61  GLU A 68  
AA2 6 VAL A 76  ? SER A 78  ? VAL A 76  SER A 78  
AA3 1 GLN A 107 ? ASP A 113 ? GLN A 107 ASP A 113 
AA3 2 LYS A 99  ? VAL A 104 ? LYS A 99  VAL A 104 
AA3 3 PHE A 89  ? VAL A 95  ? PHE A 89  VAL A 95  
AA3 4 SER A 18  ? PRO A 26  ? SER A 18  PRO A 26  
AA3 5 ILE A 130 ? TYR A 139 ? ILE A 130 TYR A 139 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N TYR A 8   ? N TYR A 8   O VAL A 126 ? O VAL A 126 
AA1 2 3 O MET A 123 ? O MET A 123 N HIS A 41  ? N HIS A 41  
AA1 3 4 N PHE A 40  ? N PHE A 40  O PHE A 52  ? O PHE A 52  
AA1 4 5 N ALA A 57  ? N ALA A 57  O ARG A 61  ? O ARG A 61  
AA1 5 6 N GLU A 68  ? N GLU A 68  O ALA A 71  ? O ALA A 71  
AA2 1 2 N TYR A 8   ? N TYR A 8   O VAL A 126 ? O VAL A 126 
AA2 2 3 O MET A 123 ? O MET A 123 N HIS A 41  ? N HIS A 41  
AA2 3 4 N PHE A 40  ? N PHE A 40  O PHE A 52  ? O PHE A 52  
AA2 4 5 N ALA A 57  ? N ALA A 57  O ARG A 61  ? O ARG A 61  
AA2 5 6 N VAL A 62  ? N VAL A 62  O SER A 78  ? O SER A 78  
AA3 1 2 O TYR A 110 ? O TYR A 110 N VAL A 102 ? N VAL A 102 
AA3 2 3 O MET A 103 ? O MET A 103 N SER A 92  ? N SER A 92  
AA3 3 4 O LEU A 91  ? O LEU A 91  N ILE A 22  ? N ILE A 22  
AA3 4 5 N THR A 21  ? N THR A 21  O ASN A 136 ? O ASN A 136 
# 
_pdbx_entry_details.entry_id                   8YQC 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     ? 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ARG A 60  ? ? -125.25 -69.44  
2 1 LYS A 73  ? ? -103.18 -145.11 
3 1 SER A 109 ? ? -131.92 -30.88  
4 1 ARG A 128 ? ? 75.62   -146.87 
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 A HOH 276 ? B HOH . 
2 1 A HOH 291 ? B HOH . 
# 
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 MET 1   ? A MET 1   
2 1 Y 1 A SER 2   ? A SER 2   
3 1 Y 1 A LEU 3   ? A LEU 3   
4 1 Y 1 A LYS 141 ? A LYS 141 
5 1 Y 1 A ARG 142 ? A ARG 142 
# 
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 Natural Science Foundation of China (NSFC)' 
_pdbx_audit_support.country                China 
_pdbx_audit_support.grant_number           32171255 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   5XRG 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    8YQC 
_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]   0.020482 
_atom_sites.fract_transf_matrix[1][2]   0.011825 
_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]   0.023650 
_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]   0.003826 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
C 
N 
O 
S 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N   . LEU A 1 4   ? 37.154 -26.254 14.541  1.00 41.64 ? 4   LEU A N   1 
ATOM   2    C CA  . LEU A 1 4   ? 37.586 -24.972 14.001  1.00 37.17 ? 4   LEU A CA  1 
ATOM   3    C C   . LEU A 1 4   ? 37.444 -23.860 15.050  1.00 32.18 ? 4   LEU A C   1 
ATOM   4    O O   . LEU A 1 4   ? 36.642 -23.969 15.985  1.00 40.53 ? 4   LEU A O   1 
ATOM   5    C CB  . LEU A 1 4   ? 36.784 -24.621 12.743  1.00 30.52 ? 4   LEU A CB  1 
ATOM   6    C CG  . LEU A 1 4   ? 36.959 -25.524 11.505  1.00 34.62 ? 4   LEU A CG  1 
ATOM   7    C CD1 . LEU A 1 4   ? 36.018 -25.104 10.406  1.00 35.75 ? 4   LEU A CD1 1 
ATOM   8    C CD2 . LEU A 1 4   ? 38.384 -25.626 10.986  1.00 34.38 ? 4   LEU A CD2 1 
ATOM   9    N N   . PRO A 1 5   ? 38.258 -22.807 14.979  1.00 32.59 ? 5   PRO A N   1 
ATOM   10   C CA  . PRO A 1 5   ? 38.124 -21.713 15.951  1.00 30.58 ? 5   PRO A CA  1 
ATOM   11   C C   . PRO A 1 5   ? 36.890 -20.886 15.665  1.00 28.86 ? 5   PRO A C   1 
ATOM   12   O O   . PRO A 1 5   ? 36.549 -20.619 14.514  1.00 32.18 ? 5   PRO A O   1 
ATOM   13   C CB  . PRO A 1 5   ? 39.394 -20.883 15.737  1.00 36.40 ? 5   PRO A CB  1 
ATOM   14   C CG  . PRO A 1 5   ? 39.784 -21.155 14.317  1.00 38.84 ? 5   PRO A CG  1 
ATOM   15   C CD  . PRO A 1 5   ? 39.283 -22.531 13.956  1.00 35.02 ? 5   PRO A CD  1 
ATOM   16   N N   . VAL A 1 6   ? 36.224 -20.467 16.741  1.00 26.77 ? 6   VAL A N   1 
ATOM   17   C CA  . VAL A 1 6   ? 35.031 -19.636 16.672  1.00 26.05 ? 6   VAL A CA  1 
ATOM   18   C C   . VAL A 1 6   ? 35.273 -18.407 17.524  1.00 29.82 ? 6   VAL A C   1 
ATOM   19   O O   . VAL A 1 6   ? 35.658 -18.535 18.692  1.00 26.30 ? 6   VAL A O   1 
ATOM   20   C CB  . VAL A 1 6   ? 33.771 -20.395 17.148  1.00 28.87 ? 6   VAL A CB  1 
ATOM   21   C CG1 . VAL A 1 6   ? 32.559 -19.477 17.162  1.00 26.19 ? 6   VAL A CG1 1 
ATOM   22   C CG2 . VAL A 1 6   ? 33.505 -21.588 16.217  1.00 24.66 ? 6   VAL A CG2 1 
ATOM   23   N N   . PRO A 1 7   ? 35.077 -17.178 17.002  1.00 24.61 ? 7   PRO A N   1 
ATOM   24   C CA  . PRO A 1 7   ? 34.605 -16.807 15.656  1.00 24.12 ? 7   PRO A CA  1 
ATOM   25   C C   . PRO A 1 7   ? 35.487 -17.347 14.544  1.00 27.43 ? 7   PRO A C   1 
ATOM   26   O O   . PRO A 1 7   ? 36.720 -17.380 14.655  1.00 26.47 ? 7   PRO A O   1 
ATOM   27   C CB  . PRO A 1 7   ? 34.636 -15.277 15.672  1.00 23.23 ? 7   PRO A CB  1 
ATOM   28   C CG  . PRO A 1 7   ? 34.534 -14.918 17.144  1.00 23.40 ? 7   PRO A CG  1 
ATOM   29   C CD  . PRO A 1 7   ? 35.322 -15.994 17.844  1.00 24.28 ? 7   PRO A CD  1 
ATOM   30   N N   . TYR A 1 8   ? 34.841 -17.820 13.492  1.00 22.22 ? 8   TYR A N   1 
ATOM   31   C CA  . TYR A 1 8   ? 35.531 -18.387 12.346  1.00 22.17 ? 8   TYR A CA  1 
ATOM   32   C C   . TYR A 1 8   ? 35.416 -17.425 11.179  1.00 24.56 ? 8   TYR A C   1 
ATOM   33   O O   . TYR A 1 8   ? 34.311 -16.988 10.838  1.00 22.89 ? 8   TYR A O   1 
ATOM   34   C CB  . TYR A 1 8   ? 34.956 -19.751 11.968  1.00 22.33 ? 8   TYR A CB  1 
ATOM   35   C CG  . TYR A 1 8   ? 35.706 -20.358 10.819  1.00 26.67 ? 8   TYR A CG  1 
ATOM   36   C CD1 . TYR A 1 8   ? 36.908 -21.018 11.024  1.00 28.04 ? 8   TYR A CD1 1 
ATOM   37   C CD2 . TYR A 1 8   ? 35.226 -20.249 9.515   1.00 24.58 ? 8   TYR A CD2 1 
ATOM   38   C CE1 . TYR A 1 8   ? 37.629 -21.559 9.943   1.00 31.05 ? 8   TYR A CE1 1 
ATOM   39   C CE2 . TYR A 1 8   ? 35.927 -20.787 8.448   1.00 26.10 ? 8   TYR A CE2 1 
ATOM   40   C CZ  . TYR A 1 8   ? 37.124 -21.441 8.662   1.00 31.52 ? 8   TYR A CZ  1 
ATOM   41   O OH  . TYR A 1 8   ? 37.819 -21.977 7.578   1.00 32.18 ? 8   TYR A OH  1 
ATOM   42   N N   . THR A 1 9   ? 36.552 -17.119 10.556  1.00 26.48 ? 9   THR A N   1 
ATOM   43   C CA  . THR A 1 9   ? 36.614 -16.199 9.427   1.00 24.07 ? 9   THR A CA  1 
ATOM   44   C C   . THR A 1 9   ? 37.301 -16.879 8.251   1.00 26.02 ? 9   THR A C   1 
ATOM   45   O O   . THR A 1 9   ? 38.356 -17.500 8.425   1.00 22.24 ? 9   THR A O   1 
ATOM   46   C CB  . THR A 1 9   ? 37.363 -14.928 9.826   1.00 30.08 ? 9   THR A CB  1 
ATOM   47   O OG1 . THR A 1 9   ? 36.675 -14.291 10.914  1.00 31.79 ? 9   THR A OG1 1 
ATOM   48   C CG2 . THR A 1 9   ? 37.478 -13.981 8.664   1.00 28.33 ? 9   THR A CG2 1 
ATOM   49   N N   . GLU A 1 10  ? 36.697 -16.781 7.062   1.00 23.42 ? 10  GLU A N   1 
ATOM   50   C CA  . GLU A 1 10  ? 37.318 -17.306 5.853   1.00 24.83 ? 10  GLU A CA  1 
ATOM   51   C C   . GLU A 1 10  ? 37.034 -16.358 4.697   1.00 25.39 ? 10  GLU A C   1 
ATOM   52   O O   . GLU A 1 10  ? 35.880 -15.978 4.468   1.00 21.61 ? 10  GLU A O   1 
ATOM   53   C CB  . GLU A 1 10  ? 36.821 -18.727 5.525   1.00 26.25 ? 10  GLU A CB  1 
ATOM   54   C CG  . GLU A 1 10  ? 37.504 -19.350 4.289   1.00 25.71 ? 10  GLU A CG  1 
ATOM   55   C CD  . GLU A 1 10  ? 37.233 -20.848 4.100   1.00 28.32 ? 10  GLU A CD  1 
ATOM   56   O OE1 . GLU A 1 10  ? 37.316 -21.634 5.077   1.00 30.60 ? 10  GLU A OE1 1 
ATOM   57   O OE2 . GLU A 1 10  ? 36.930 -21.244 2.951   1.00 31.49 ? 10  GLU A OE2 1 
ATOM   58   N N   . ALA A 1 11  ? 38.086 -15.954 3.985   1.00 24.77 ? 11  ALA A N   1 
ATOM   59   C CA  . ALA A 1 11  ? 37.891 -15.202 2.751   1.00 23.20 ? 11  ALA A CA  1 
ATOM   60   C C   . ALA A 1 11  ? 37.076 -16.038 1.773   1.00 19.17 ? 11  ALA A C   1 
ATOM   61   O O   . ALA A 1 11  ? 37.248 -17.251 1.694   1.00 25.16 ? 11  ALA A O   1 
ATOM   62   C CB  . ALA A 1 11  ? 39.237 -14.831 2.129   1.00 24.81 ? 11  ALA A CB  1 
ATOM   63   N N   . ALA A 1 12  ? 36.179 -15.397 1.022   1.00 19.58 ? 12  ALA A N   1 
ATOM   64   C CA  . ALA A 1 12  ? 35.396 -16.175 0.061   1.00 21.28 ? 12  ALA A CA  1 
ATOM   65   C C   . ALA A 1 12  ? 34.821 -15.271 -1.015  1.00 23.86 ? 12  ALA A C   1 
ATOM   66   O O   . ALA A 1 12  ? 34.659 -14.064 -0.823  1.00 23.65 ? 12  ALA A O   1 
ATOM   67   C CB  . ALA A 1 12  ? 34.261 -16.962 0.738   1.00 21.00 ? 12  ALA A CB  1 
ATOM   68   N N   . SER A 1 13  ? 34.520 -15.885 -2.162  1.00 25.63 ? 13  SER A N   1 
ATOM   69   C CA  . SER A 1 13  ? 33.809 -15.243 -3.257  1.00 27.72 ? 13  SER A CA  1 
ATOM   70   C C   . SER A 1 13  ? 32.596 -16.096 -3.596  1.00 31.24 ? 13  SER A C   1 
ATOM   71   O O   . SER A 1 13  ? 32.654 -17.331 -3.525  1.00 27.47 ? 13  SER A O   1 
ATOM   72   C CB  . SER A 1 13  ? 34.692 -15.081 -4.496  1.00 32.34 ? 13  SER A CB  1 
ATOM   73   O OG  . SER A 1 13  ? 35.707 -14.121 -4.241  1.00 38.12 ? 13  SER A OG  1 
ATOM   74   N N   . LEU A 1 14  ? 31.497 -15.436 -3.939  1.00 23.69 ? 14  LEU A N   1 
ATOM   75   C CA  . LEU A 1 14  ? 30.220 -16.108 -4.133  1.00 20.41 ? 14  LEU A CA  1 
ATOM   76   C C   . LEU A 1 14  ? 29.577 -15.642 -5.429  1.00 23.21 ? 14  LEU A C   1 
ATOM   77   O O   . LEU A 1 14  ? 29.663 -14.466 -5.793  1.00 24.42 ? 14  LEU A O   1 
ATOM   78   C CB  . LEU A 1 14  ? 29.250 -15.824 -2.981  1.00 22.27 ? 14  LEU A CB  1 
ATOM   79   C CG  . LEU A 1 14  ? 29.662 -16.217 -1.565  1.00 22.83 ? 14  LEU A CG  1 
ATOM   80   C CD1 . LEU A 1 14  ? 28.509 -15.947 -0.609  1.00 22.66 ? 14  LEU A CD1 1 
ATOM   81   C CD2 . LEU A 1 14  ? 30.076 -17.679 -1.518  1.00 22.69 ? 14  LEU A CD2 1 
ATOM   82   N N   . SER A 1 15  ? 28.914 -16.568 -6.102  1.00 23.33 ? 15  SER A N   1 
ATOM   83   C CA  . SER A 1 15  ? 28.076 -16.228 -7.242  1.00 28.17 ? 15  SER A CA  1 
ATOM   84   C C   . SER A 1 15  ? 27.008 -17.304 -7.347  1.00 29.59 ? 15  SER A C   1 
ATOM   85   O O   . SER A 1 15  ? 26.959 -18.235 -6.534  1.00 23.22 ? 15  SER A O   1 
ATOM   86   C CB  . SER A 1 15  ? 28.912 -16.109 -8.514  1.00 29.84 ? 15  SER A CB  1 
ATOM   87   O OG  . SER A 1 15  ? 29.575 -17.328 -8.778  1.00 34.76 ? 15  SER A OG  1 
ATOM   88   N N   . THR A 1 16  ? 26.120 -17.159 -8.331  1.00 25.44 ? 16  THR A N   1 
ATOM   89   C CA  . THR A 1 16  ? 25.115 -18.188 -8.559  1.00 27.08 ? 16  THR A CA  1 
ATOM   90   C C   . THR A 1 16  ? 25.771 -19.556 -8.672  1.00 28.41 ? 16  THR A C   1 
ATOM   91   O O   . THR A 1 16  ? 26.696 -19.752 -9.463  1.00 28.20 ? 16  THR A O   1 
ATOM   92   C CB  . THR A 1 16  ? 24.324 -17.891 -9.836  1.00 28.90 ? 16  THR A CB  1 
ATOM   93   O OG1 . THR A 1 16  ? 23.835 -16.545 -9.790  1.00 25.07 ? 16  THR A OG1 1 
ATOM   94   C CG2 . THR A 1 16  ? 23.162 -18.850 -9.945  1.00 31.56 ? 16  THR A CG2 1 
ATOM   95   N N   . GLY A 1 17  ? 25.283 -20.507 -7.874  1.00 26.00 ? 17  GLY A N   1 
ATOM   96   C CA  . GLY A 1 17  ? 25.825 -21.845 -7.834  1.00 26.88 ? 17  GLY A CA  1 
ATOM   97   C C   . GLY A 1 17  ? 26.797 -22.098 -6.698  1.00 30.49 ? 17  GLY A C   1 
ATOM   98   O O   . GLY A 1 17  ? 27.180 -23.254 -6.482  1.00 32.90 ? 17  GLY A O   1 
ATOM   99   N N   . SER A 1 18  ? 27.206 -21.058 -5.974  1.00 26.31 ? 18  SER A N   1 
ATOM   100  C CA  . SER A 1 18  ? 28.046 -21.248 -4.793  1.00 24.61 ? 18  SER A CA  1 
ATOM   101  C C   . SER A 1 18  ? 27.230 -21.832 -3.649  1.00 26.81 ? 18  SER A C   1 
ATOM   102  O O   . SER A 1 18  ? 26.046 -21.519 -3.484  1.00 25.02 ? 18  SER A O   1 
ATOM   103  C CB  . SER A 1 18  ? 28.662 -19.921 -4.357  1.00 21.03 ? 18  SER A CB  1 
ATOM   104  O OG  . SER A 1 18  ? 29.470 -19.383 -5.393  1.00 27.88 ? 18  SER A OG  1 
ATOM   105  N N   . THR A 1 19  ? 27.871 -22.684 -2.856  1.00 25.64 ? 19  THR A N   1 
ATOM   106  C CA  . THR A 1 19  ? 27.260 -23.258 -1.665  1.00 25.90 ? 19  THR A CA  1 
ATOM   107  C C   . THR A 1 19  ? 28.222 -23.105 -0.499  1.00 23.96 ? 19  THR A C   1 
ATOM   108  O O   . THR A 1 19  ? 29.405 -23.439 -0.624  1.00 26.88 ? 19  THR A O   1 
ATOM   109  C CB  . THR A 1 19  ? 26.919 -24.733 -1.891  1.00 28.48 ? 19  THR A CB  1 
ATOM   110  O OG1 . THR A 1 19  ? 25.875 -24.817 -2.868  1.00 29.98 ? 19  THR A OG1 1 
ATOM   111  C CG2 . THR A 1 19  ? 26.437 -25.375 -0.606  1.00 28.45 ? 19  THR A CG2 1 
ATOM   112  N N   . VAL A 1 20  ? 27.719 -22.603 0.626   1.00 21.36 ? 20  VAL A N   1 
ATOM   113  C CA  . VAL A 1 20  ? 28.471 -22.533 1.879   1.00 24.87 ? 20  VAL A CA  1 
ATOM   114  C C   . VAL A 1 20  ? 27.896 -23.579 2.818   1.00 26.08 ? 20  VAL A C   1 
ATOM   115  O O   . VAL A 1 20  ? 26.701 -23.539 3.145   1.00 23.50 ? 20  VAL A O   1 
ATOM   116  C CB  . VAL A 1 20  ? 28.398 -21.141 2.517   1.00 20.45 ? 20  VAL A CB  1 
ATOM   117  C CG1 . VAL A 1 20  ? 29.203 -21.122 3.831   1.00 18.15 ? 20  VAL A CG1 1 
ATOM   118  C CG2 . VAL A 1 20  ? 28.912 -20.089 1.548   1.00 23.33 ? 20  VAL A CG2 1 
ATOM   119  N N   . THR A 1 21  ? 28.739 -24.514 3.249   1.00 20.77 ? 21  THR A N   1 
ATOM   120  C CA  . THR A 1 21  ? 28.317 -25.641 4.070   1.00 24.49 ? 21  THR A CA  1 
ATOM   121  C C   . THR A 1 21  ? 28.989 -25.527 5.425   1.00 26.91 ? 21  THR A C   1 
ATOM   122  O O   . THR A 1 21  ? 30.219 -25.433 5.505   1.00 22.34 ? 21  THR A O   1 
ATOM   123  C CB  . THR A 1 21  ? 28.687 -26.971 3.414   1.00 28.25 ? 21  THR A CB  1 
ATOM   124  O OG1 . THR A 1 21  ? 28.061 -27.042 2.137   1.00 30.53 ? 21  THR A OG1 1 
ATOM   125  C CG2 . THR A 1 21  ? 28.228 -28.150 4.268   1.00 27.09 ? 21  THR A CG2 1 
ATOM   126  N N   . ILE A 1 22  ? 28.188 -25.548 6.482   1.00 23.81 ? 22  ILE A N   1 
ATOM   127  C CA  . ILE A 1 22  ? 28.672 -25.328 7.838   1.00 22.11 ? 22  ILE A CA  1 
ATOM   128  C C   . ILE A 1 22  ? 28.204 -26.498 8.684   1.00 24.55 ? 22  ILE A C   1 
ATOM   129  O O   . ILE A 1 22  ? 27.020 -26.851 8.663   1.00 27.99 ? 22  ILE A O   1 
ATOM   130  C CB  . ILE A 1 22  ? 28.143 -23.999 8.407   1.00 26.63 ? 22  ILE A CB  1 
ATOM   131  C CG1 . ILE A 1 22  ? 28.702 -22.816 7.614   1.00 28.99 ? 22  ILE A CG1 1 
ATOM   132  C CG2 . ILE A 1 22  ? 28.546 -23.850 9.836   1.00 26.09 ? 22  ILE A CG2 1 
ATOM   133  C CD1 . ILE A 1 22  ? 27.851 -21.553 7.733   1.00 28.30 ? 22  ILE A CD1 1 
ATOM   134  N N   . LYS A 1 23  ? 29.109 -27.081 9.454   1.00 24.88 ? 23  LYS A N   1 
ATOM   135  C CA  . LYS A 1 23  ? 28.681 -28.190 10.285  1.00 24.70 ? 23  LYS A CA  1 
ATOM   136  C C   . LYS A 1 23  ? 29.208 -27.982 11.702  1.00 25.27 ? 23  LYS A C   1 
ATOM   137  O O   . LYS A 1 23  ? 30.372 -27.618 11.893  1.00 22.80 ? 23  LYS A O   1 
ATOM   138  C CB  . LYS A 1 23  ? 29.143 -29.479 9.625   1.00 33.00 ? 23  LYS A CB  1 
ATOM   139  C CG  . LYS A 1 23  ? 29.335 -30.678 10.453  1.00 41.63 ? 23  LYS A CG  1 
ATOM   140  C CD  . LYS A 1 23  ? 29.240 -31.840 9.456   1.00 49.05 ? 23  LYS A CD  1 
ATOM   141  C CE  . LYS A 1 23  ? 29.615 -33.140 10.108  1.00 56.87 ? 23  LYS A CE  1 
ATOM   142  N NZ  . LYS A 1 23  ? 30.995 -33.013 10.667  1.00 52.83 ? 23  LYS A NZ  1 
ATOM   143  N N   . GLY A 1 24  ? 28.324 -28.131 12.680  1.00 23.14 ? 24  GLY A N   1 
ATOM   144  C CA  . GLY A 1 24  ? 28.639 -27.694 14.025  1.00 24.41 ? 24  GLY A CA  1 
ATOM   145  C C   . GLY A 1 24  ? 27.597 -28.156 15.021  1.00 25.22 ? 24  GLY A C   1 
ATOM   146  O O   . GLY A 1 24  ? 26.688 -28.914 14.690  1.00 24.75 ? 24  GLY A O   1 
ATOM   147  N N   . ARG A 1 25  ? 27.745 -27.671 16.256  1.00 23.87 ? 25  ARG A N   1 
ATOM   148  C CA  . ARG A 1 25  ? 26.936 -28.057 17.413  1.00 24.52 ? 25  ARG A CA  1 
ATOM   149  C C   . ARG A 1 25  ? 26.763 -26.845 18.314  1.00 23.05 ? 25  ARG A C   1 
ATOM   150  O O   . ARG A 1 25  ? 27.748 -26.138 18.561  1.00 21.07 ? 25  ARG A O   1 
ATOM   151  C CB  . ARG A 1 25  ? 27.618 -29.179 18.207  1.00 28.49 ? 25  ARG A CB  1 
ATOM   152  C CG  . ARG A 1 25  ? 26.738 -29.848 19.236  1.00 35.24 ? 25  ARG A CG  1 
ATOM   153  C CD  . ARG A 1 25  ? 27.518 -30.863 20.091  1.00 36.67 ? 25  ARG A CD  1 
ATOM   154  N NE  . ARG A 1 25  ? 28.103 -31.983 19.359  1.00 51.29 ? 25  ARG A NE  1 
ATOM   155  C CZ  . ARG A 1 25  ? 27.467 -33.133 19.141  1.00 51.45 ? 25  ARG A CZ  1 
ATOM   156  N NH1 . ARG A 1 25  ? 26.237 -33.298 19.609  1.00 50.53 ? 25  ARG A NH1 1 
ATOM   157  N NH2 . ARG A 1 25  ? 28.057 -34.115 18.463  1.00 50.86 ? 25  ARG A NH2 1 
ATOM   158  N N   . PRO A 1 26  ? 25.560 -26.586 18.843  1.00 21.38 ? 26  PRO A N   1 
ATOM   159  C CA  . PRO A 1 26  ? 25.418 -25.486 19.805  1.00 20.49 ? 26  PRO A CA  1 
ATOM   160  C C   . PRO A 1 26  ? 26.215 -25.780 21.069  1.00 21.37 ? 26  PRO A C   1 
ATOM   161  O O   . PRO A 1 26  ? 26.427 -26.938 21.439  1.00 21.39 ? 26  PRO A O   1 
ATOM   162  C CB  . PRO A 1 26  ? 23.909 -25.435 20.092  1.00 24.15 ? 26  PRO A CB  1 
ATOM   163  C CG  . PRO A 1 26  ? 23.252 -26.258 18.973  1.00 23.74 ? 26  PRO A CG  1 
ATOM   164  C CD  . PRO A 1 26  ? 24.286 -27.267 18.564  1.00 21.35 ? 26  PRO A CD  1 
ATOM   165  N N   . LEU A 1 27  ? 26.685 -24.716 21.714  1.00 20.65 ? 27  LEU A N   1 
ATOM   166  C CA  . LEU A 1 27  ? 27.469 -24.853 22.946  1.00 24.44 ? 27  LEU A CA  1 
ATOM   167  C C   . LEU A 1 27  ? 26.622 -24.927 24.212  1.00 24.07 ? 27  LEU A C   1 
ATOM   168  O O   . LEU A 1 27  ? 27.187 -25.062 25.312  1.00 25.25 ? 27  LEU A O   1 
ATOM   169  C CB  . LEU A 1 27  ? 28.449 -23.692 23.079  1.00 22.17 ? 27  LEU A CB  1 
ATOM   170  C CG  . LEU A 1 27  ? 29.545 -23.651 22.009  1.00 21.07 ? 27  LEU A CG  1 
ATOM   171  C CD1 . LEU A 1 27  ? 30.271 -22.315 22.084  1.00 27.60 ? 27  LEU A CD1 1 
ATOM   172  C CD2 . LEU A 1 27  ? 30.496 -24.837 22.176  1.00 25.12 ? 27  LEU A CD2 1 
ATOM   173  N N   . ALA A 1 28  ? 25.298 -24.835 24.103  1.00 23.92 ? 28  ALA A N   1 
ATOM   174  C CA  . ALA A 1 28  ? 24.429 -24.899 25.274  1.00 21.39 ? 28  ALA A CA  1 
ATOM   175  C C   . ALA A 1 28  ? 23.101 -25.543 24.898  1.00 24.38 ? 28  ALA A C   1 
ATOM   176  O O   . ALA A 1 28  ? 22.701 -25.561 23.731  1.00 23.69 ? 28  ALA A O   1 
ATOM   177  C CB  . ALA A 1 28  ? 24.182 -23.508 25.879  1.00 24.26 ? 28  ALA A CB  1 
ATOM   178  N N   . ALA A 1 29  ? 22.422 -26.083 25.909  1.00 23.64 ? 29  ALA A N   1 
ATOM   179  C CA  . ALA A 1 29  ? 21.074 -26.606 25.724  1.00 25.75 ? 29  ALA A CA  1 
ATOM   180  C C   . ALA A 1 29  ? 20.121 -25.484 25.316  1.00 21.67 ? 29  ALA A C   1 
ATOM   181  O O   . ALA A 1 29  ? 20.336 -24.312 25.639  1.00 22.04 ? 29  ALA A O   1 
ATOM   182  C CB  . ALA A 1 29  ? 20.591 -27.282 27.015  1.00 27.39 ? 29  ALA A CB  1 
ATOM   183  N N   . PHE A 1 30  ? 19.045 -25.849 24.604  1.00 24.82 ? 30  PHE A N   1 
ATOM   184  C CA  . PHE A 1 30  ? 18.145 -24.825 24.066  1.00 23.33 ? 30  PHE A CA  1 
ATOM   185  C C   . PHE A 1 30  ? 17.484 -24.017 25.173  1.00 27.42 ? 30  PHE A C   1 
ATOM   186  O O   . PHE A 1 30  ? 17.150 -22.842 24.966  1.00 22.70 ? 30  PHE A O   1 
ATOM   187  C CB  . PHE A 1 30  ? 17.068 -25.449 23.166  1.00 25.13 ? 30  PHE A CB  1 
ATOM   188  C CG  . PHE A 1 30  ? 17.543 -25.773 21.772  1.00 27.03 ? 30  PHE A CG  1 
ATOM   189  C CD1 . PHE A 1 30  ? 18.888 -25.701 21.439  1.00 26.11 ? 30  PHE A CD1 1 
ATOM   190  C CD2 . PHE A 1 30  ? 16.640 -26.144 20.791  1.00 27.08 ? 30  PHE A CD2 1 
ATOM   191  C CE1 . PHE A 1 30  ? 19.319 -26.010 20.161  1.00 28.86 ? 30  PHE A CE1 1 
ATOM   192  C CE2 . PHE A 1 30  ? 17.067 -26.444 19.508  1.00 30.64 ? 30  PHE A CE2 1 
ATOM   193  C CZ  . PHE A 1 30  ? 18.412 -26.375 19.194  1.00 26.55 ? 30  PHE A CZ  1 
ATOM   194  N N   . LEU A 1 31  ? 17.291 -24.626 26.350  1.00 22.07 ? 31  LEU A N   1 
ATOM   195  C CA  . LEU A 1 31  ? 16.735 -23.907 27.488  1.00 25.74 ? 31  LEU A CA  1 
ATOM   196  C C   . LEU A 1 31  ? 17.540 -22.656 27.811  1.00 22.26 ? 31  LEU A C   1 
ATOM   197  O O   . LEU A 1 31  ? 16.981 -21.664 28.296  1.00 23.96 ? 31  LEU A O   1 
ATOM   198  C CB  . LEU A 1 31  ? 16.682 -24.839 28.708  1.00 28.14 ? 31  LEU A CB  1 
ATOM   199  C CG  . LEU A 1 31  ? 16.184 -24.240 30.013  1.00 32.22 ? 31  LEU A CG  1 
ATOM   200  C CD1 . LEU A 1 31  ? 14.661 -24.165 29.973  1.00 36.02 ? 31  LEU A CD1 1 
ATOM   201  C CD2 . LEU A 1 31  ? 16.636 -25.089 31.195  1.00 28.32 ? 31  LEU A CD2 1 
ATOM   202  N N   . ASN A 1 32  ? 18.844 -22.678 27.540  1.00 22.51 ? 32  ASN A N   1 
ATOM   203  C CA  . ASN A 1 32  ? 19.721 -21.542 27.800  1.00 21.75 ? 32  ASN A CA  1 
ATOM   204  C C   . ASN A 1 32  ? 19.858 -20.615 26.592  1.00 22.71 ? 32  ASN A C   1 
ATOM   205  O O   . ASN A 1 32  ? 20.598 -19.629 26.664  1.00 21.50 ? 32  ASN A O   1 
ATOM   206  C CB  . ASN A 1 32  ? 21.092 -22.054 28.256  1.00 20.48 ? 32  ASN A CB  1 
ATOM   207  C CG  . ASN A 1 32  ? 21.030 -22.673 29.651  1.00 24.18 ? 32  ASN A CG  1 
ATOM   208  O OD1 . ASN A 1 32  ? 20.200 -22.281 30.456  1.00 23.59 ? 32  ASN A OD1 1 
ATOM   209  N ND2 . ASN A 1 32  ? 21.881 -23.654 29.923  1.00 21.82 ? 32  ASN A ND2 1 
ATOM   210  N N   . GLU A 1 33  ? 19.170 -20.913 25.499  1.00 20.48 ? 33  GLU A N   1 
ATOM   211  C CA  . GLU A 1 33  ? 19.039 -20.028 24.343  1.00 22.34 ? 33  GLU A CA  1 
ATOM   212  C C   . GLU A 1 33  ? 20.399 -19.651 23.747  1.00 18.96 ? 33  GLU A C   1 
ATOM   213  O O   . GLU A 1 33  ? 20.767 -18.469 23.731  1.00 18.23 ? 33  GLU A O   1 
ATOM   214  C CB  . GLU A 1 33  ? 18.252 -18.780 24.758  1.00 28.85 ? 33  GLU A CB  1 
ATOM   215  C CG  . GLU A 1 33  ? 16.749 -19.054 24.958  1.00 31.41 ? 33  GLU A CG  1 
ATOM   216  C CD  . GLU A 1 33  ? 15.981 -17.850 25.466  1.00 40.12 ? 33  GLU A CD  1 
ATOM   217  O OE1 . GLU A 1 33  ? 15.327 -17.187 24.623  1.00 40.78 ? 33  GLU A OE1 1 
ATOM   218  O OE2 . GLU A 1 33  ? 15.997 -17.591 26.696  1.00 38.48 ? 33  GLU A OE2 1 
ATOM   219  N N   . PRO A 1 34  ? 21.180 -20.609 23.261  1.00 22.14 ? 34  PRO A N   1 
ATOM   220  C CA  . PRO A 1 34  ? 22.391 -20.246 22.519  1.00 20.15 ? 34  PRO A CA  1 
ATOM   221  C C   . PRO A 1 34  ? 22.021 -19.588 21.195  1.00 22.38 ? 34  PRO A C   1 
ATOM   222  O O   . PRO A 1 34  ? 20.903 -19.728 20.689  1.00 19.43 ? 34  PRO A O   1 
ATOM   223  C CB  . PRO A 1 34  ? 23.090 -21.591 22.285  1.00 19.34 ? 34  PRO A CB  1 
ATOM   224  C CG  . PRO A 1 34  ? 21.952 -22.568 22.191  1.00 18.45 ? 34  PRO A CG  1 
ATOM   225  C CD  . PRO A 1 34  ? 20.917 -22.059 23.206  1.00 22.90 ? 34  PRO A CD  1 
ATOM   226  N N   . TYR A 1 35  ? 22.991 -18.879 20.622  1.00 20.50 ? 35  TYR A N   1 
ATOM   227  C CA  . TYR A 1 35  ? 22.834 -18.276 19.302  1.00 19.30 ? 35  TYR A CA  1 
ATOM   228  C C   . TYR A 1 35  ? 23.836 -18.832 18.300  1.00 19.39 ? 35  TYR A C   1 
ATOM   229  O O   . TYR A 1 35  ? 24.863 -19.408 18.663  1.00 17.76 ? 35  TYR A O   1 
ATOM   230  C CB  . TYR A 1 35  ? 22.981 -16.744 19.342  1.00 21.16 ? 35  TYR A CB  1 
ATOM   231  C CG  . TYR A 1 35  ? 21.733 -15.989 19.740  1.00 25.00 ? 35  TYR A CG  1 
ATOM   232  C CD1 . TYR A 1 35  ? 20.983 -16.339 20.857  1.00 27.27 ? 35  TYR A CD1 1 
ATOM   233  C CD2 . TYR A 1 35  ? 21.269 -14.949 18.936  1.00 32.53 ? 35  TYR A CD2 1 
ATOM   234  C CE1 . TYR A 1 35  ? 19.824 -15.631 21.190  1.00 28.67 ? 35  TYR A CE1 1 
ATOM   235  C CE2 . TYR A 1 35  ? 20.125 -14.248 19.254  1.00 35.79 ? 35  TYR A CE2 1 
ATOM   236  C CZ  . TYR A 1 35  ? 19.408 -14.586 20.375  1.00 32.68 ? 35  TYR A CZ  1 
ATOM   237  O OH  . TYR A 1 35  ? 18.272 -13.860 20.649  1.00 38.16 ? 35  TYR A OH  1 
ATOM   238  N N   . LEU A 1 36  ? 23.507 -18.646 17.020  1.00 18.15 ? 36  LEU A N   1 
ATOM   239  C CA  . LEU A 1 36  ? 24.425 -18.880 15.909  1.00 18.27 ? 36  LEU A CA  1 
ATOM   240  C C   . LEU A 1 36  ? 24.303 -17.685 14.972  1.00 20.16 ? 36  LEU A C   1 
ATOM   241  O O   . LEU A 1 36  ? 23.185 -17.244 14.684  1.00 18.98 ? 36  LEU A O   1 
ATOM   242  C CB  . LEU A 1 36  ? 24.100 -20.191 15.164  1.00 17.53 ? 36  LEU A CB  1 
ATOM   243  C CG  . LEU A 1 36  ? 24.621 -20.354 13.712  1.00 20.94 ? 36  LEU A CG  1 
ATOM   244  C CD1 . LEU A 1 36  ? 26.137 -20.342 13.620  1.00 19.10 ? 36  LEU A CD1 1 
ATOM   245  C CD2 . LEU A 1 36  ? 24.068 -21.603 13.018  1.00 23.09 ? 36  LEU A CD2 1 
ATOM   246  N N   . GLN A 1 37  ? 25.432 -17.143 14.509  1.00 18.68 ? 37  GLN A N   1 
ATOM   247  C CA  . GLN A 1 37  ? 25.387 -16.057 13.538  1.00 17.30 ? 37  GLN A CA  1 
ATOM   248  C C   . GLN A 1 37  ? 26.326 -16.354 12.370  1.00 20.54 ? 37  GLN A C   1 
ATOM   249  O O   . GLN A 1 37  ? 27.481 -16.740 12.572  1.00 18.32 ? 37  GLN A O   1 
ATOM   250  C CB  . GLN A 1 37  ? 25.736 -14.708 14.188  1.00 17.26 ? 37  GLN A CB  1 
ATOM   251  C CG  . GLN A 1 37  ? 25.410 -13.485 13.284  1.00 17.81 ? 37  GLN A CG  1 
ATOM   252  C CD  . GLN A 1 37  ? 25.299 -12.188 14.075  1.00 19.74 ? 37  GLN A CD  1 
ATOM   253  O OE1 . GLN A 1 37  ? 24.741 -12.159 15.183  1.00 21.26 ? 37  GLN A OE1 1 
ATOM   254  N NE2 . GLN A 1 37  ? 25.833 -11.117 13.520  1.00 16.54 ? 37  GLN A NE2 1 
ATOM   255  N N   . VAL A 1 38  ? 25.818 -16.176 11.152  1.00 18.98 ? 38  VAL A N   1 
ATOM   256  C CA  . VAL A 1 38  ? 26.593 -16.313 9.919   1.00 16.43 ? 38  VAL A CA  1 
ATOM   257  C C   . VAL A 1 38  ? 26.405 -15.016 9.151   1.00 19.48 ? 38  VAL A C   1 
ATOM   258  O O   . VAL A 1 38  ? 25.267 -14.652 8.827   1.00 21.39 ? 38  VAL A O   1 
ATOM   259  C CB  . VAL A 1 38  ? 26.134 -17.518 9.078   1.00 16.67 ? 38  VAL A CB  1 
ATOM   260  C CG1 . VAL A 1 38  ? 26.944 -17.624 7.740   1.00 15.90 ? 38  VAL A CG1 1 
ATOM   261  C CG2 . VAL A 1 38  ? 26.247 -18.806 9.890   1.00 20.89 ? 38  VAL A CG2 1 
ATOM   262  N N   . ASP A 1 39  ? 27.507 -14.316 8.874   1.00 15.40 ? 39  ASP A N   1 
ATOM   263  C CA  . ASP A 1 39  ? 27.502 -13.016 8.213   1.00 17.10 ? 39  ASP A CA  1 
ATOM   264  C C   . ASP A 1 39  ? 28.357 -13.086 6.956   1.00 17.66 ? 39  ASP A C   1 
ATOM   265  O O   . ASP A 1 39  ? 29.534 -13.462 7.030   1.00 18.57 ? 39  ASP A O   1 
ATOM   266  C CB  . ASP A 1 39  ? 28.034 -11.922 9.145   1.00 16.02 ? 39  ASP A CB  1 
ATOM   267  C CG  . ASP A 1 39  ? 27.146 -11.691 10.364  1.00 20.36 ? 39  ASP A CG  1 
ATOM   268  O OD1 . ASP A 1 39  ? 25.915 -11.598 10.193  1.00 21.08 ? 39  ASP A OD1 1 
ATOM   269  O OD2 . ASP A 1 39  ? 27.683 -11.593 11.494  1.00 21.09 ? 39  ASP A OD2 1 
ATOM   270  N N   . PHE A 1 40  ? 27.769 -12.731 5.810   1.00 17.18 ? 40  PHE A N   1 
ATOM   271  C CA  . PHE A 1 40  ? 28.511 -12.593 4.551   1.00 19.72 ? 40  PHE A CA  1 
ATOM   272  C C   . PHE A 1 40  ? 28.921 -11.129 4.390   1.00 18.62 ? 40  PHE A C   1 
ATOM   273  O O   . PHE A 1 40  ? 28.068 -10.265 4.149   1.00 20.53 ? 40  PHE A O   1 
ATOM   274  C CB  . PHE A 1 40  ? 27.672 -13.038 3.350   1.00 17.14 ? 40  PHE A CB  1 
ATOM   275  C CG  . PHE A 1 40  ? 27.331 -14.519 3.315   1.00 17.29 ? 40  PHE A CG  1 
ATOM   276  C CD1 . PHE A 1 40  ? 27.794 -15.401 4.290   1.00 22.91 ? 40  PHE A CD1 1 
ATOM   277  C CD2 . PHE A 1 40  ? 26.581 -15.032 2.252   1.00 21.79 ? 40  PHE A CD2 1 
ATOM   278  C CE1 . PHE A 1 40  ? 27.473 -16.750 4.242   1.00 20.66 ? 40  PHE A CE1 1 
ATOM   279  C CE2 . PHE A 1 40  ? 26.268 -16.380 2.180   1.00 21.06 ? 40  PHE A CE2 1 
ATOM   280  C CZ  . PHE A 1 40  ? 26.712 -17.246 3.187   1.00 23.30 ? 40  PHE A CZ  1 
ATOM   281  N N   . HIS A 1 41  ? 30.223 -10.845 4.522   1.00 17.85 ? 41  HIS A N   1 
ATOM   282  C CA  . HIS A 1 41  ? 30.744 -9.486  4.603   1.00 18.64 ? 41  HIS A CA  1 
ATOM   283  C C   . HIS A 1 41  ? 31.292 -9.004  3.263   1.00 18.74 ? 41  HIS A C   1 
ATOM   284  O O   . HIS A 1 41  ? 31.780 -9.794  2.457   1.00 18.16 ? 41  HIS A O   1 
ATOM   285  C CB  . HIS A 1 41  ? 31.864 -9.384  5.652   1.00 19.24 ? 41  HIS A CB  1 
ATOM   286  C CG  . HIS A 1 41  ? 31.374 -9.230  7.056   1.00 19.72 ? 41  HIS A CG  1 
ATOM   287  N ND1 . HIS A 1 41  ? 31.175 -7.999  7.639   1.00 22.57 ? 41  HIS A ND1 1 
ATOM   288  C CD2 . HIS A 1 41  ? 31.107 -10.150 8.017   1.00 18.32 ? 41  HIS A CD2 1 
ATOM   289  C CE1 . HIS A 1 41  ? 30.773 -8.164  8.889   1.00 21.63 ? 41  HIS A CE1 1 
ATOM   290  N NE2 . HIS A 1 41  ? 30.718 -9.459  9.141   1.00 19.26 ? 41  HIS A NE2 1 
ATOM   291  N N   . THR A 1 42  ? 31.230 -7.684  3.047   1.00 21.02 ? 42  THR A N   1 
ATOM   292  C CA  . THR A 1 42  ? 31.733 -7.092  1.805   1.00 20.76 ? 42  THR A CA  1 
ATOM   293  C C   . THR A 1 42  ? 33.233 -6.835  1.823   1.00 26.80 ? 42  THR A C   1 
ATOM   294  O O   . THR A 1 42  ? 33.815 -6.603  0.756   1.00 23.80 ? 42  THR A O   1 
ATOM   295  C CB  . THR A 1 42  ? 31.043 -5.761  1.505   1.00 24.80 ? 42  THR A CB  1 
ATOM   296  O OG1 . THR A 1 42  ? 31.187 -4.882  2.631   1.00 24.62 ? 42  THR A OG1 1 
ATOM   297  C CG2 . THR A 1 42  ? 29.577 -5.958  1.166   1.00 24.48 ? 42  THR A CG2 1 
ATOM   298  N N   . GLU A 1 43  ? 33.859 -6.817  3.001   1.00 21.53 ? 43  GLU A N   1 
ATOM   299  C CA  . GLU A 1 43  ? 35.298 -6.612  3.127   1.00 25.67 ? 43  GLU A CA  1 
ATOM   300  C C   . GLU A 1 43  ? 35.826 -7.567  4.187   1.00 26.31 ? 43  GLU A C   1 
ATOM   301  O O   . GLU A 1 43  ? 35.059 -8.177  4.936   1.00 25.47 ? 43  GLU A O   1 
ATOM   302  C CB  . GLU A 1 43  ? 35.636 -5.145  3.466   1.00 25.86 ? 43  GLU A CB  1 
ATOM   303  C CG  . GLU A 1 43  ? 35.127 -4.138  2.415   1.00 29.54 ? 43  GLU A CG  1 
ATOM   304  C CD  . GLU A 1 43  ? 35.845 -4.244  1.065   1.00 38.19 ? 43  GLU A CD  1 
ATOM   305  O OE1 . GLU A 1 43  ? 36.780 -5.071  0.919   1.00 38.80 ? 43  GLU A OE1 1 
ATOM   306  O OE2 . GLU A 1 43  ? 35.424 -3.543  0.117   1.00 36.22 ? 43  GLU A OE2 1 
ATOM   307  N N   . MET A 1 44  ? 37.157 -7.699  4.245   1.00 23.51 ? 44  MET A N   1 
ATOM   308  C CA  . MET A 1 44  ? 37.799 -8.566  5.234   1.00 28.62 ? 44  MET A CA  1 
ATOM   309  C C   . MET A 1 44  ? 37.611 -8.094  6.670   1.00 31.60 ? 44  MET A C   1 
ATOM   310  O O   . MET A 1 44  ? 37.873 -8.870  7.597   1.00 43.08 ? 44  MET A O   1 
ATOM   311  C CB  . MET A 1 44  ? 39.296 -8.672  4.923   1.00 35.54 ? 44  MET A CB  1 
ATOM   312  C CG  . MET A 1 44  ? 39.638 -9.337  3.602   1.00 37.10 ? 44  MET A CG  1 
ATOM   313  S SD  . MET A 1 44  ? 38.755 -10.874 3.230   1.00 45.62 ? 44  MET A SD  1 
ATOM   314  C CE  . MET A 1 44  ? 38.978 -11.788 4.757   1.00 34.69 ? 44  MET A CE  1 
ATOM   315  N N   . LYS A 1 45  ? 37.150 -6.871  6.883   1.00 28.37 ? 45  LYS A N   1 
ATOM   316  C CA  . LYS A 1 45  ? 37.046 -6.292  8.216   1.00 26.48 ? 45  LYS A CA  1 
ATOM   317  C C   . LYS A 1 45  ? 35.692 -6.617  8.840   1.00 25.27 ? 45  LYS A C   1 
ATOM   318  O O   . LYS A 1 45  ? 34.666 -6.613  8.157   1.00 21.74 ? 45  LYS A O   1 
ATOM   319  C CB  . LYS A 1 45  ? 37.235 -4.777  8.138   1.00 26.86 ? 45  LYS A CB  1 
ATOM   320  N N   . GLU A 1 46  ? 35.683 -6.884  10.153  1.00 22.41 ? 46  GLU A N   1 
ATOM   321  C CA  . GLU A 1 46  ? 34.410 -7.258  10.767  1.00 25.30 ? 46  GLU A CA  1 
ATOM   322  C C   . GLU A 1 46  ? 33.409 -6.113  10.764  1.00 20.39 ? 46  GLU A C   1 
ATOM   323  O O   . GLU A 1 46  ? 32.206 -6.362  10.867  1.00 20.68 ? 46  GLU A O   1 
ATOM   324  C CB  . GLU A 1 46  ? 34.588 -7.745  12.216  1.00 25.69 ? 46  GLU A CB  1 
ATOM   325  C CG  . GLU A 1 46  ? 35.291 -6.772  13.151  1.00 27.67 ? 46  GLU A CG  1 
ATOM   326  C CD  . GLU A 1 46  ? 35.188 -7.208  14.623  1.00 31.37 ? 46  GLU A CD  1 
ATOM   327  O OE1 . GLU A 1 46  ? 36.212 -7.185  15.339  1.00 32.04 ? 46  GLU A OE1 1 
ATOM   328  O OE2 . GLU A 1 46  ? 34.072 -7.565  15.059  1.00 28.73 ? 46  GLU A OE2 1 
ATOM   329  N N   . GLU A 1 47  ? 33.866 -4.866  10.673  1.00 18.98 ? 47  GLU A N   1 
ATOM   330  C CA  . GLU A 1 47  ? 32.936 -3.743  10.685  1.00 22.23 ? 47  GLU A CA  1 
ATOM   331  C C   . GLU A 1 47  ? 32.383 -3.430  9.302   1.00 25.96 ? 47  GLU A C   1 
ATOM   332  O O   . GLU A 1 47  ? 31.598 -2.490  9.155   1.00 24.78 ? 47  GLU A O   1 
ATOM   333  C CB  . GLU A 1 47  ? 33.625 -2.518  11.285  1.00 32.23 ? 47  GLU A CB  1 
ATOM   334  C CG  . GLU A 1 47  ? 34.166 -2.873  12.665  1.00 35.15 ? 47  GLU A CG  1 
ATOM   335  C CD  . GLU A 1 47  ? 35.660 -3.153  12.671  1.00 40.47 ? 47  GLU A CD  1 
ATOM   336  O OE1 . GLU A 1 47  ? 36.160 -3.841  11.737  1.00 32.63 ? 47  GLU A OE1 1 
ATOM   337  O OE2 . GLU A 1 47  ? 36.305 -2.783  13.687  1.00 44.38 ? 47  GLU A OE2 1 
ATOM   338  N N   . SER A 1 48  ? 32.747 -4.215  8.299   1.00 21.73 ? 48  SER A N   1 
ATOM   339  C CA  . SER A 1 48  ? 32.270 -3.973  6.946   1.00 23.04 ? 48  SER A CA  1 
ATOM   340  C C   . SER A 1 48  ? 30.793 -4.342  6.819   1.00 25.47 ? 48  SER A C   1 
ATOM   341  O O   . SER A 1 48  ? 30.195 -4.999  7.692   1.00 21.52 ? 48  SER A O   1 
ATOM   342  C CB  . SER A 1 48  ? 33.121 -4.751  5.951   1.00 21.72 ? 48  SER A CB  1 
ATOM   343  O OG  . SER A 1 48  ? 32.822 -6.133  5.973   1.00 21.45 ? 48  SER A OG  1 
ATOM   344  N N   . ASP A 1 49  ? 30.205 -3.894  5.711   1.00 19.17 ? 49  ASP A N   1 
ATOM   345  C CA  . ASP A 1 49  ? 28.814 -4.175  5.402   1.00 22.04 ? 49  ASP A CA  1 
ATOM   346  C C   . ASP A 1 49  ? 28.574 -5.672  5.303   1.00 19.89 ? 49  ASP A C   1 
ATOM   347  O O   . ASP A 1 49  ? 29.490 -6.465  5.075   1.00 20.21 ? 49  ASP A O   1 
ATOM   348  C CB  . ASP A 1 49  ? 28.410 -3.494  4.092   1.00 23.07 ? 49  ASP A CB  1 
ATOM   349  C CG  . ASP A 1 49  ? 28.128 -2.012  4.273   1.00 26.66 ? 49  ASP A CG  1 
ATOM   350  O OD1 . ASP A 1 49  ? 28.126 -1.537  5.433   1.00 25.97 ? 49  ASP A OD1 1 
ATOM   351  O OD2 . ASP A 1 49  ? 27.921 -1.322  3.248   1.00 26.15 ? 49  ASP A OD2 1 
ATOM   352  N N   . ILE A 1 50  ? 27.312 -6.054  5.467   1.00 17.68 ? 50  ILE A N   1 
ATOM   353  C CA  . ILE A 1 50  ? 26.915 -7.451  5.528   1.00 18.65 ? 50  ILE A CA  1 
ATOM   354  C C   . ILE A 1 50  ? 25.836 -7.671  4.483   1.00 20.00 ? 50  ILE A C   1 
ATOM   355  O O   . ILE A 1 50  ? 24.722 -7.153  4.612   1.00 21.25 ? 50  ILE A O   1 
ATOM   356  C CB  . ILE A 1 50  ? 26.421 -7.865  6.920   1.00 18.66 ? 50  ILE A CB  1 
ATOM   357  C CG1 . ILE A 1 50  ? 27.545 -7.713  7.960   1.00 18.04 ? 50  ILE A CG1 1 
ATOM   358  C CG2 . ILE A 1 50  ? 25.877 -9.312  6.863   1.00 19.86 ? 50  ILE A CG2 1 
ATOM   359  C CD1 . ILE A 1 50  ? 27.072 -7.917  9.448   1.00 18.85 ? 50  ILE A CD1 1 
ATOM   360  N N   . VAL A 1 51  ? 26.160 -8.460  3.464   1.00 18.55 ? 51  VAL A N   1 
ATOM   361  C CA  . VAL A 1 51  ? 25.224 -8.724  2.382   1.00 19.39 ? 51  VAL A CA  1 
ATOM   362  C C   . VAL A 1 51  ? 24.108 -9.645  2.852   1.00 21.77 ? 51  VAL A C   1 
ATOM   363  O O   . VAL A 1 51  ? 22.948 -9.511  2.436   1.00 23.06 ? 51  VAL A O   1 
ATOM   364  C CB  . VAL A 1 51  ? 25.997 -9.331  1.202   1.00 23.31 ? 51  VAL A CB  1 
ATOM   365  C CG1 . VAL A 1 51  ? 25.053 -9.873  0.166   1.00 26.88 ? 51  VAL A CG1 1 
ATOM   366  C CG2 . VAL A 1 51  ? 26.953 -8.299  0.615   1.00 23.86 ? 51  VAL A CG2 1 
ATOM   367  N N   . PHE A 1 52  ? 24.450 -10.622 3.691   1.00 19.70 ? 52  PHE A N   1 
ATOM   368  C CA  . PHE A 1 52  ? 23.491 -11.586 4.214   1.00 19.50 ? 52  PHE A CA  1 
ATOM   369  C C   . PHE A 1 52  ? 23.869 -11.913 5.653   1.00 21.88 ? 52  PHE A C   1 
ATOM   370  O O   . PHE A 1 52  ? 24.976 -12.401 5.909   1.00 19.56 ? 52  PHE A O   1 
ATOM   371  C CB  . PHE A 1 52  ? 23.464 -12.845 3.337   1.00 20.42 ? 52  PHE A CB  1 
ATOM   372  C CG  . PHE A 1 52  ? 22.507 -13.907 3.825   1.00 21.87 ? 52  PHE A CG  1 
ATOM   373  C CD1 . PHE A 1 52  ? 21.219 -13.579 4.204   1.00 26.61 ? 52  PHE A CD1 1 
ATOM   374  C CD2 . PHE A 1 52  ? 22.901 -15.235 3.904   1.00 24.56 ? 52  PHE A CD2 1 
ATOM   375  C CE1 . PHE A 1 52  ? 20.343 -14.553 4.663   1.00 23.11 ? 52  PHE A CE1 1 
ATOM   376  C CE2 . PHE A 1 52  ? 22.022 -16.215 4.339   1.00 25.15 ? 52  PHE A CE2 1 
ATOM   377  C CZ  . PHE A 1 52  ? 20.746 -15.872 4.720   1.00 27.43 ? 52  PHE A CZ  1 
ATOM   378  N N   . HIS A 1 53  ? 22.967 -11.591 6.582   1.00 21.75 ? 53  HIS A N   1 
ATOM   379  C CA  . HIS A 1 53  ? 23.095 -11.849 8.015   1.00 20.34 ? 53  HIS A CA  1 
ATOM   380  C C   . HIS A 1 53  ? 22.071 -12.915 8.379   1.00 22.39 ? 53  HIS A C   1 
ATOM   381  O O   . HIS A 1 53  ? 20.889 -12.775 8.039   1.00 22.20 ? 53  HIS A O   1 
ATOM   382  C CB  . HIS A 1 53  ? 22.865 -10.538 8.787   1.00 20.00 ? 53  HIS A CB  1 
ATOM   383  C CG  . HIS A 1 53  ? 22.544 -10.688 10.245  1.00 23.10 ? 53  HIS A CG  1 
ATOM   384  N ND1 . HIS A 1 53  ? 23.508 -10.935 11.197  1.00 19.10 ? 53  HIS A ND1 1 
ATOM   385  C CD2 . HIS A 1 53  ? 21.385 -10.504 10.925  1.00 22.99 ? 53  HIS A CD2 1 
ATOM   386  C CE1 . HIS A 1 53  ? 22.952 -10.933 12.399  1.00 26.46 ? 53  HIS A CE1 1 
ATOM   387  N NE2 . HIS A 1 53  ? 21.662 -10.680 12.260  1.00 26.66 ? 53  HIS A NE2 1 
ATOM   388  N N   . PHE A 1 54  ? 22.533 -14.008 8.997   1.00 19.38 ? 54  PHE A N   1 
ATOM   389  C CA  . PHE A 1 54  ? 21.686 -15.156 9.328   1.00 18.85 ? 54  PHE A CA  1 
ATOM   390  C C   . PHE A 1 54  ? 21.919 -15.496 10.798  1.00 22.56 ? 54  PHE A C   1 
ATOM   391  O O   . PHE A 1 54  ? 23.018 -15.911 11.178  1.00 19.08 ? 54  PHE A O   1 
ATOM   392  C CB  . PHE A 1 54  ? 22.002 -16.346 8.413   1.00 20.39 ? 54  PHE A CB  1 
ATOM   393  C CG  . PHE A 1 54  ? 21.243 -17.612 8.748   1.00 21.53 ? 54  PHE A CG  1 
ATOM   394  C CD1 . PHE A 1 54  ? 19.953 -17.809 8.279   1.00 22.73 ? 54  PHE A CD1 1 
ATOM   395  C CD2 . PHE A 1 54  ? 21.832 -18.616 9.508   1.00 20.69 ? 54  PHE A CD2 1 
ATOM   396  C CE1 . PHE A 1 54  ? 19.246 -18.977 8.590   1.00 23.65 ? 54  PHE A CE1 1 
ATOM   397  C CE2 . PHE A 1 54  ? 21.135 -19.790 9.807   1.00 21.07 ? 54  PHE A CE2 1 
ATOM   398  C CZ  . PHE A 1 54  ? 19.834 -19.959 9.351   1.00 21.29 ? 54  PHE A CZ  1 
ATOM   399  N N   . GLN A 1 55  ? 20.902 -15.295 11.632  1.00 22.08 ? 55  GLN A N   1 
ATOM   400  C CA  . GLN A 1 55  ? 21.068 -15.359 13.078  1.00 20.22 ? 55  GLN A CA  1 
ATOM   401  C C   . GLN A 1 55  ? 20.008 -16.277 13.658  1.00 21.76 ? 55  GLN A C   1 
ATOM   402  O O   . GLN A 1 55  ? 18.815 -15.952 13.617  1.00 21.39 ? 55  GLN A O   1 
ATOM   403  C CB  . GLN A 1 55  ? 20.970 -13.979 13.709  1.00 21.23 ? 55  GLN A CB  1 
ATOM   404  C CG  . GLN A 1 55  ? 21.305 -13.988 15.211  1.00 20.40 ? 55  GLN A CG  1 
ATOM   405  C CD  . GLN A 1 55  ? 21.030 -12.648 15.833  1.00 25.18 ? 55  GLN A CD  1 
ATOM   406  O OE1 . GLN A 1 55  ? 19.881 -12.334 16.135  1.00 23.20 ? 55  GLN A OE1 1 
ATOM   407  N NE2 . GLN A 1 55  ? 22.071 -11.845 16.023  1.00 23.51 ? 55  GLN A NE2 1 
ATOM   408  N N   . VAL A 1 56  ? 20.447 -17.399 14.220  1.00 19.66 ? 56  VAL A N   1 
ATOM   409  C CA  . VAL A 1 56  ? 19.561 -18.381 14.823  1.00 20.99 ? 56  VAL A CA  1 
ATOM   410  C C   . VAL A 1 56  ? 19.538 -18.132 16.327  1.00 22.43 ? 56  VAL A C   1 
ATOM   411  O O   . VAL A 1 56  ? 20.588 -18.127 16.980  1.00 19.19 ? 56  VAL A O   1 
ATOM   412  C CB  . VAL A 1 56  ? 20.026 -19.814 14.520  1.00 20.48 ? 56  VAL A CB  1 
ATOM   413  C CG1 . VAL A 1 56  ? 18.987 -20.821 14.989  1.00 24.82 ? 56  VAL A CG1 1 
ATOM   414  C CG2 . VAL A 1 56  ? 20.359 -19.992 13.049  1.00 22.87 ? 56  VAL A CG2 1 
ATOM   415  N N   . ALA A 1 57  ? 18.358 -17.913 16.885  1.00 22.68 ? 57  ALA A N   1 
ATOM   416  C CA  . ALA A 1 57  ? 18.179 -18.015 18.337  1.00 27.07 ? 57  ALA A CA  1 
ATOM   417  C C   . ALA A 1 57  ? 17.634 -19.420 18.552  1.00 25.42 ? 57  ALA A C   1 
ATOM   418  O O   . ALA A 1 57  ? 16.438 -19.659 18.354  1.00 26.04 ? 57  ALA A O   1 
ATOM   419  C CB  . ALA A 1 57  ? 17.238 -16.942 18.872  1.00 28.53 ? 57  ALA A CB  1 
ATOM   420  N N   . PHE A 1 58  ? 18.530 -20.365 18.854  1.00 24.78 ? 58  PHE A N   1 
ATOM   421  C CA  . PHE A 1 58  ? 18.155 -21.778 18.891  1.00 26.77 ? 58  PHE A CA  1 
ATOM   422  C C   . PHE A 1 58  ? 16.951 -21.994 19.798  1.00 25.10 ? 58  PHE A C   1 
ATOM   423  O O   . PHE A 1 58  ? 16.924 -21.519 20.937  1.00 24.84 ? 58  PHE A O   1 
ATOM   424  C CB  . PHE A 1 58  ? 19.315 -22.647 19.380  1.00 21.12 ? 58  PHE A CB  1 
ATOM   425  C CG  . PHE A 1 58  ? 20.441 -22.799 18.386  1.00 20.90 ? 58  PHE A CG  1 
ATOM   426  C CD1 . PHE A 1 58  ? 20.321 -23.669 17.314  1.00 22.73 ? 58  PHE A CD1 1 
ATOM   427  C CD2 . PHE A 1 58  ? 21.639 -22.123 18.566  1.00 20.66 ? 58  PHE A CD2 1 
ATOM   428  C CE1 . PHE A 1 58  ? 21.370 -23.834 16.401  1.00 22.40 ? 58  PHE A CE1 1 
ATOM   429  C CE2 . PHE A 1 58  ? 22.691 -22.292 17.663  1.00 20.22 ? 58  PHE A CE2 1 
ATOM   430  C CZ  . PHE A 1 58  ? 22.544 -23.141 16.577  1.00 21.53 ? 58  PHE A CZ  1 
ATOM   431  N N   . GLY A 1 59  ? 15.958 -22.708 19.274  1.00 29.49 ? 59  GLY A N   1 
ATOM   432  C CA  . GLY A 1 59  ? 14.726 -22.966 19.985  1.00 31.36 ? 59  GLY A CA  1 
ATOM   433  C C   . GLY A 1 59  ? 13.703 -21.855 19.928  1.00 31.62 ? 59  GLY A C   1 
ATOM   434  O O   . GLY A 1 59  ? 12.601 -22.028 20.458  1.00 29.53 ? 59  GLY A O   1 
ATOM   435  N N   . ARG A 1 60  ? 14.015 -20.721 19.301  1.00 27.82 ? 60  ARG A N   1 
ATOM   436  C CA  . ARG A 1 60  ? 13.073 -19.609 19.298  1.00 23.36 ? 60  ARG A CA  1 
ATOM   437  C C   . ARG A 1 60  ? 12.762 -19.148 17.880  1.00 30.81 ? 60  ARG A C   1 
ATOM   438  O O   . ARG A 1 60  ? 11.651 -19.363 17.388  1.00 29.96 ? 60  ARG A O   1 
ATOM   439  C CB  . ARG A 1 60  ? 13.611 -18.442 20.124  1.00 27.37 ? 60  ARG A CB  1 
ATOM   440  N N   . ARG A 1 61  ? 13.730 -18.538 17.200  1.00 25.90 ? 61  ARG A N   1 
ATOM   441  C CA  . ARG A 1 61  ? 13.438 -17.924 15.912  1.00 27.73 ? 61  ARG A CA  1 
ATOM   442  C C   . ARG A 1 61  ? 14.729 -17.765 15.123  1.00 27.13 ? 61  ARG A C   1 
ATOM   443  O O   . ARG A 1 61  ? 15.828 -17.968 15.639  1.00 25.12 ? 61  ARG A O   1 
ATOM   444  C CB  . ARG A 1 61  ? 12.760 -16.561 16.089  1.00 26.43 ? 61  ARG A CB  1 
ATOM   445  C CG  . ARG A 1 61  ? 13.725 -15.474 16.519  1.00 33.81 ? 61  ARG A CG  1 
ATOM   446  C CD  . ARG A 1 61  ? 13.061 -14.112 16.680  1.00 37.84 ? 61  ARG A CD  1 
ATOM   447  N NE  . ARG A 1 61  ? 13.997 -13.126 17.218  1.00 38.60 ? 61  ARG A NE  1 
ATOM   448  C CZ  . ARG A 1 61  ? 13.839 -11.807 17.124  1.00 43.04 ? 61  ARG A CZ  1 
ATOM   449  N NH1 . ARG A 1 61  ? 12.774 -11.303 16.510  1.00 42.62 ? 61  ARG A NH1 1 
ATOM   450  N NH2 . ARG A 1 61  ? 14.749 -10.990 17.644  1.00 39.23 ? 61  ARG A NH2 1 
ATOM   451  N N   . VAL A 1 62  ? 14.572 -17.373 13.864  1.00 22.93 ? 62  VAL A N   1 
ATOM   452  C CA  . VAL A 1 62  ? 15.678 -16.960 13.010  1.00 24.31 ? 62  VAL A CA  1 
ATOM   453  C C   . VAL A 1 62  ? 15.374 -15.556 12.507  1.00 26.91 ? 62  VAL A C   1 
ATOM   454  O O   . VAL A 1 62  ? 14.225 -15.253 12.163  1.00 25.58 ? 62  VAL A O   1 
ATOM   455  C CB  . VAL A 1 62  ? 15.877 -17.936 11.830  1.00 24.84 ? 62  VAL A CB  1 
ATOM   456  C CG1 . VAL A 1 62  ? 16.650 -17.270 10.697  1.00 28.07 ? 62  VAL A CG1 1 
ATOM   457  C CG2 . VAL A 1 62  ? 16.567 -19.205 12.293  1.00 26.09 ? 62  VAL A CG2 1 
ATOM   458  N N   . VAL A 1 63  ? 16.387 -14.689 12.491  1.00 26.69 ? 63  VAL A N   1 
ATOM   459  C CA  . VAL A 1 63  ? 16.276 -13.400 11.819  1.00 25.63 ? 63  VAL A CA  1 
ATOM   460  C C   . VAL A 1 63  ? 17.343 -13.313 10.739  1.00 28.03 ? 63  VAL A C   1 
ATOM   461  O O   . VAL A 1 63  ? 18.464 -13.812 10.905  1.00 23.20 ? 63  VAL A O   1 
ATOM   462  C CB  . VAL A 1 63  ? 16.374 -12.192 12.778  1.00 28.23 ? 63  VAL A CB  1 
ATOM   463  C CG1 . VAL A 1 63  ? 15.238 -12.231 13.801  1.00 33.43 ? 63  VAL A CG1 1 
ATOM   464  C CG2 . VAL A 1 63  ? 17.722 -12.116 13.462  1.00 28.43 ? 63  VAL A CG2 1 
ATOM   465  N N   . MET A 1 64  ? 16.981 -12.688 9.624   1.00 20.81 ? 64  MET A N   1 
ATOM   466  C CA  . MET A 1 64  ? 17.916 -12.404 8.548   1.00 22.93 ? 64  MET A CA  1 
ATOM   467  C C   . MET A 1 64  ? 17.780 -10.941 8.159   1.00 26.87 ? 64  MET A C   1 
ATOM   468  O O   . MET A 1 64  ? 16.709 -10.343 8.300   1.00 28.86 ? 64  MET A O   1 
ATOM   469  C CB  . MET A 1 64  ? 17.699 -13.298 7.318   1.00 24.76 ? 64  MET A CB  1 
ATOM   470  C CG  . MET A 1 64  ? 17.724 -14.797 7.608   1.00 20.89 ? 64  MET A CG  1 
ATOM   471  S SD  . MET A 1 64  ? 17.075 -15.773 6.246   1.00 25.46 ? 64  MET A SD  1 
ATOM   472  C CE  . MET A 1 64  ? 15.327 -15.761 6.641   1.00 28.83 ? 64  MET A CE  1 
ATOM   473  N N   . ASN A 1 65  ? 18.881 -10.357 7.702   1.00 23.32 ? 65  ASN A N   1 
ATOM   474  C CA  . ASN A 1 65  ? 18.917 -8.928  7.425   1.00 21.30 ? 65  ASN A CA  1 
ATOM   475  C C   . ASN A 1 65  ? 20.164 -8.644  6.593   1.00 23.47 ? 65  ASN A C   1 
ATOM   476  O O   . ASN A 1 65  ? 20.900 -9.559  6.206   1.00 23.21 ? 65  ASN A O   1 
ATOM   477  C CB  . ASN A 1 65  ? 18.919 -8.122  8.725   1.00 22.86 ? 65  ASN A CB  1 
ATOM   478  C CG  . ASN A 1 65  ? 18.281 -6.760  8.571   1.00 27.08 ? 65  ASN A CG  1 
ATOM   479  O OD1 . ASN A 1 65  ? 18.235 -6.199  7.478   1.00 27.05 ? 65  ASN A OD1 1 
ATOM   480  N ND2 . ASN A 1 65  ? 17.791 -6.213  9.676   1.00 28.39 ? 65  ASN A ND2 1 
ATOM   481  N N   . SER A 1 66  ? 20.387 -7.361  6.317   1.00 22.13 ? 66  SER A N   1 
ATOM   482  C CA  . SER A 1 66  ? 21.611 -6.891  5.691   1.00 22.28 ? 66  SER A CA  1 
ATOM   483  C C   . SER A 1 66  ? 22.027 -5.617  6.403   1.00 21.99 ? 66  SER A C   1 
ATOM   484  O O   . SER A 1 66  ? 21.186 -4.900  6.951   1.00 24.20 ? 66  SER A O   1 
ATOM   485  C CB  . SER A 1 66  ? 21.425 -6.623  4.186   1.00 24.64 ? 66  SER A CB  1 
ATOM   486  O OG  . SER A 1 66  ? 20.344 -5.732  3.985   1.00 24.38 ? 66  SER A OG  1 
ATOM   487  N N   . ARG A 1 67  ? 23.330 -5.347  6.418   1.00 20.11 ? 67  ARG A N   1 
ATOM   488  C CA  . ARG A 1 67  ? 23.854 -4.104  6.975   1.00 20.37 ? 67  ARG A CA  1 
ATOM   489  C C   . ARG A 1 67  ? 24.505 -3.352  5.828   1.00 22.17 ? 67  ARG A C   1 
ATOM   490  O O   . ARG A 1 67  ? 25.511 -3.812  5.276   1.00 23.86 ? 67  ARG A O   1 
ATOM   491  C CB  . ARG A 1 67  ? 24.854 -4.343  8.109   1.00 19.56 ? 67  ARG A CB  1 
ATOM   492  C CG  . ARG A 1 67  ? 25.297 -3.037  8.766   1.00 20.50 ? 67  ARG A CG  1 
ATOM   493  C CD  . ARG A 1 67  ? 26.079 -3.275  10.079  1.00 21.65 ? 67  ARG A CD  1 
ATOM   494  N NE  . ARG A 1 67  ? 27.395 -3.868  9.843   1.00 21.79 ? 67  ARG A NE  1 
ATOM   495  C CZ  . ARG A 1 67  ? 28.071 -4.592  10.731  1.00 21.99 ? 67  ARG A CZ  1 
ATOM   496  N NH1 . ARG A 1 67  ? 27.558 -4.833  11.935  1.00 22.42 ? 67  ARG A NH1 1 
ATOM   497  N NH2 . ARG A 1 67  ? 29.260 -5.091  10.415  1.00 19.19 ? 67  ARG A NH2 1 
ATOM   498  N N   . GLU A 1 68  ? 23.916 -2.223  5.452   1.00 22.68 ? 68  GLU A N   1 
ATOM   499  C CA  . GLU A 1 68  ? 24.298 -1.515  4.235   1.00 24.91 ? 68  GLU A CA  1 
ATOM   500  C C   . GLU A 1 68  ? 24.711 -0.106  4.625   1.00 24.11 ? 68  GLU A C   1 
ATOM   501  O O   . GLU A 1 68  ? 23.954 0.603   5.297   1.00 26.69 ? 68  GLU A O   1 
ATOM   502  C CB  . GLU A 1 68  ? 23.155 -1.517  3.207   1.00 27.73 ? 68  GLU A CB  1 
ATOM   503  C CG  . GLU A 1 68  ? 22.498 -2.888  3.037   1.00 26.50 ? 68  GLU A CG  1 
ATOM   504  C CD  . GLU A 1 68  ? 21.343 -2.906  2.039   1.00 35.65 ? 68  GLU A CD  1 
ATOM   505  O OE1 . GLU A 1 68  ? 21.225 -1.953  1.222   1.00 33.92 ? 68  GLU A OE1 1 
ATOM   506  O OE2 . GLU A 1 68  ? 20.555 -3.884  2.074   1.00 28.73 ? 68  GLU A OE2 1 
ATOM   507  N N   . TYR A 1 69  ? 25.924 0.278   4.228   1.00 24.87 ? 69  TYR A N   1 
ATOM   508  C CA  . TYR A 1 69  ? 26.561 1.520   4.668   1.00 27.84 ? 69  TYR A CA  1 
ATOM   509  C C   . TYR A 1 69  ? 26.405 1.733   6.175   1.00 28.10 ? 69  TYR A C   1 
ATOM   510  O O   . TYR A 1 69  ? 26.095 2.826   6.662   1.00 27.09 ? 69  TYR A O   1 
ATOM   511  C CB  . TYR A 1 69  ? 26.051 2.701   3.845   1.00 30.00 ? 69  TYR A CB  1 
ATOM   512  C CG  . TYR A 1 69  ? 26.716 2.636   2.488   1.00 26.20 ? 69  TYR A CG  1 
ATOM   513  C CD1 . TYR A 1 69  ? 27.994 3.153   2.321   1.00 29.67 ? 69  TYR A CD1 1 
ATOM   514  C CD2 . TYR A 1 69  ? 26.134 1.974   1.428   1.00 29.00 ? 69  TYR A CD2 1 
ATOM   515  C CE1 . TYR A 1 69  ? 28.658 3.066   1.122   1.00 32.01 ? 69  TYR A CE1 1 
ATOM   516  C CE2 . TYR A 1 69  ? 26.793 1.885   0.195   1.00 28.53 ? 69  TYR A CE2 1 
ATOM   517  C CZ  . TYR A 1 69  ? 28.058 2.431   0.061   1.00 29.75 ? 69  TYR A CZ  1 
ATOM   518  O OH  . TYR A 1 69  ? 28.750 2.367   -1.129  1.00 31.37 ? 69  TYR A OH  1 
ATOM   519  N N   . GLY A 1 70  ? 26.671 0.663   6.920   1.00 24.64 ? 70  GLY A N   1 
ATOM   520  C CA  . GLY A 1 70  ? 26.703 0.744   8.362   1.00 27.10 ? 70  GLY A CA  1 
ATOM   521  C C   . GLY A 1 70  ? 25.369 0.586   9.047   1.00 27.45 ? 70  GLY A C   1 
ATOM   522  O O   . GLY A 1 70  ? 25.336 0.508   10.279  1.00 29.33 ? 70  GLY A O   1 
ATOM   523  N N   . ALA A 1 71  ? 24.264 0.508   8.311   1.00 29.46 ? 71  ALA A N   1 
ATOM   524  C CA  . ALA A 1 71  ? 22.938 0.520   8.922   1.00 28.07 ? 71  ALA A CA  1 
ATOM   525  C C   . ALA A 1 71  ? 22.209 -0.789  8.652   1.00 26.56 ? 71  ALA A C   1 
ATOM   526  O O   . ALA A 1 71  ? 22.221 -1.288  7.520   1.00 25.90 ? 71  ALA A O   1 
ATOM   527  C CB  . ALA A 1 71  ? 22.109 1.704   8.401   1.00 36.19 ? 71  ALA A CB  1 
ATOM   528  N N   . TRP A 1 72  ? 21.574 -1.344  9.689   1.00 24.70 ? 72  TRP A N   1 
ATOM   529  C CA  . TRP A 1 72  ? 20.729 -2.517  9.512   1.00 25.48 ? 72  TRP A CA  1 
ATOM   530  C C   . TRP A 1 72  ? 19.451 -2.148  8.763   1.00 28.03 ? 72  TRP A C   1 
ATOM   531  O O   . TRP A 1 72  ? 18.879 -1.066  8.958   1.00 32.19 ? 72  TRP A O   1 
ATOM   532  C CB  . TRP A 1 72  ? 20.404 -3.142  10.878  1.00 25.20 ? 72  TRP A CB  1 
ATOM   533  C CG  . TRP A 1 72  ? 21.566 -3.878  11.464  1.00 22.67 ? 72  TRP A CG  1 
ATOM   534  C CD1 . TRP A 1 72  ? 22.310 -3.510  12.550  1.00 29.22 ? 72  TRP A CD1 1 
ATOM   535  C CD2 . TRP A 1 72  ? 22.119 -5.112  10.995  1.00 23.68 ? 72  TRP A CD2 1 
ATOM   536  N NE1 . TRP A 1 72  ? 23.301 -4.443  12.779  1.00 26.58 ? 72  TRP A NE1 1 
ATOM   537  C CE2 . TRP A 1 72  ? 23.204 -5.429  11.830  1.00 23.31 ? 72  TRP A CE2 1 
ATOM   538  C CE3 . TRP A 1 72  ? 21.816 -5.970  9.930   1.00 23.87 ? 72  TRP A CE3 1 
ATOM   539  C CZ2 . TRP A 1 72  ? 23.973 -6.575  11.651  1.00 23.37 ? 72  TRP A CZ2 1 
ATOM   540  C CZ3 . TRP A 1 72  ? 22.590 -7.118  9.756   1.00 25.20 ? 72  TRP A CZ3 1 
ATOM   541  C CH2 . TRP A 1 72  ? 23.658 -7.401  10.606  1.00 25.19 ? 72  TRP A CH2 1 
ATOM   542  N N   . LYS A 1 73  ? 19.015 -3.056  7.890   1.00 26.55 ? 73  LYS A N   1 
ATOM   543  C CA  . LYS A 1 73  ? 17.851 -2.799  7.051   1.00 29.98 ? 73  LYS A CA  1 
ATOM   544  C C   . LYS A 1 73  ? 16.639 -3.545  7.591   1.00 30.64 ? 73  LYS A C   1 
ATOM   545  O O   . LYS A 1 73  ? 16.516 -3.751  8.804   1.00 29.69 ? 73  LYS A O   1 
ATOM   546  C CB  . LYS A 1 73  ? 18.083 -3.231  5.609   1.00 29.50 ? 73  LYS A CB  1 
ATOM   547  C CG  . LYS A 1 73  ? 19.208 -2.503  4.951   1.00 31.83 ? 73  LYS A CG  1 
ATOM   548  C CD  . LYS A 1 73  ? 18.834 -1.031  4.787   1.00 40.90 ? 73  LYS A CD  1 
ATOM   549  C CE  . LYS A 1 73  ? 19.914 -0.256  4.030   1.00 44.92 ? 73  LYS A CE  1 
ATOM   550  N NZ  . LYS A 1 73  ? 19.545 1.193   3.897   1.00 53.36 ? 73  LYS A NZ  1 
ATOM   551  N N   . GLN A 1 74  ? 15.783 -4.013  6.683   1.00 33.95 ? 74  GLN A N   1 
ATOM   552  C CA  . GLN A 1 74  ? 14.509 -4.621  7.041   1.00 38.29 ? 74  GLN A CA  1 
ATOM   553  C C   . GLN A 1 74  ? 14.749 -6.032  7.549   1.00 31.69 ? 74  GLN A C   1 
ATOM   554  O O   . GLN A 1 74  ? 15.197 -6.901  6.797   1.00 29.92 ? 74  GLN A O   1 
ATOM   555  C CB  . GLN A 1 74  ? 13.579 -4.643  5.828   1.00 35.59 ? 74  GLN A CB  1 
ATOM   556  C CG  . GLN A 1 74  ? 12.185 -5.189  6.118   1.00 41.27 ? 74  GLN A CG  1 
ATOM   557  C CD  . GLN A 1 74  ? 11.547 -4.517  7.318   1.00 41.87 ? 74  GLN A CD  1 
ATOM   558  O OE1 . GLN A 1 74  ? 11.009 -3.416  7.205   1.00 50.74 ? 74  GLN A OE1 1 
ATOM   559  N NE2 . GLN A 1 74  ? 11.582 -5.186  8.473   1.00 47.56 ? 74  GLN A NE2 1 
ATOM   560  N N   . GLN A 1 75  ? 14.413 -6.272  8.806   1.00 33.39 ? 75  GLN A N   1 
ATOM   561  C CA  . GLN A 1 75  ? 14.571 -7.603  9.358   1.00 29.59 ? 75  GLN A CA  1 
ATOM   562  C C   . GLN A 1 75  ? 13.497 -8.532  8.806   1.00 33.06 ? 75  GLN A C   1 
ATOM   563  O O   . GLN A 1 75  ? 12.343 -8.138  8.630   1.00 31.64 ? 75  GLN A O   1 
ATOM   564  C CB  . GLN A 1 75  ? 14.509 -7.542  10.883  1.00 34.40 ? 75  GLN A CB  1 
ATOM   565  C CG  . GLN A 1 75  ? 14.188 -8.846  11.562  1.00 34.02 ? 75  GLN A CG  1 
ATOM   566  C CD  . GLN A 1 75  ? 14.252 -8.711  13.059  1.00 38.02 ? 75  GLN A CD  1 
ATOM   567  O OE1 . GLN A 1 75  ? 13.237 -8.799  13.751  1.00 39.82 ? 75  GLN A OE1 1 
ATOM   568  N NE2 . GLN A 1 75  ? 15.451 -8.483  13.573  1.00 32.86 ? 75  GLN A NE2 1 
ATOM   569  N N   . VAL A 1 76  ? 13.898 -9.759  8.484   1.00 27.06 ? 76  VAL A N   1 
ATOM   570  C CA  . VAL A 1 76  ? 12.979 -10.851 8.180   1.00 28.09 ? 76  VAL A CA  1 
ATOM   571  C C   . VAL A 1 76  ? 13.093 -11.867 9.309   1.00 33.12 ? 76  VAL A C   1 
ATOM   572  O O   . VAL A 1 76  ? 14.204 -12.244 9.694   1.00 29.32 ? 76  VAL A O   1 
ATOM   573  C CB  . VAL A 1 76  ? 13.293 -11.500 6.824   1.00 26.01 ? 76  VAL A CB  1 
ATOM   574  C CG1 . VAL A 1 76  ? 12.320 -12.635 6.539   1.00 29.76 ? 76  VAL A CG1 1 
ATOM   575  C CG2 . VAL A 1 76  ? 13.229 -10.456 5.714   1.00 33.35 ? 76  VAL A CG2 1 
ATOM   576  N N   . GLU A 1 77  ? 11.954 -12.294 9.850   1.00 32.72 ? 77  GLU A N   1 
ATOM   577  C CA  . GLU A 1 77  ? 11.926 -13.258 10.945  1.00 31.47 ? 77  GLU A CA  1 
ATOM   578  C C   . GLU A 1 77  ? 11.264 -14.551 10.477  1.00 33.59 ? 77  GLU A C   1 
ATOM   579  O O   . GLU A 1 77  ? 10.372 -14.539 9.624   1.00 38.72 ? 77  GLU A O   1 
ATOM   580  C CB  . GLU A 1 77  ? 11.202 -12.684 12.175  1.00 38.15 ? 77  GLU A CB  1 
ATOM   581  C CG  . GLU A 1 77  ? 11.075 -13.671 13.352  1.00 38.88 ? 77  GLU A CG  1 
ATOM   582  C CD  . GLU A 1 77  ? 10.334 -13.111 14.561  1.00 48.41 ? 77  GLU A CD  1 
ATOM   583  O OE1 . GLU A 1 77  ? 9.297  -13.698 14.930  1.00 53.29 ? 77  GLU A OE1 1 
ATOM   584  O OE2 . GLU A 1 77  ? 10.815 -12.132 15.184  1.00 49.36 ? 77  GLU A OE2 1 
ATOM   585  N N   . SER A 1 78  ? 11.751 -15.676 10.995  1.00 29.38 ? 78  SER A N   1 
ATOM   586  C CA  . SER A 1 78  ? 11.133 -16.975 10.761  1.00 27.81 ? 78  SER A CA  1 
ATOM   587  C C   . SER A 1 78  ? 11.135 -17.757 12.067  1.00 33.11 ? 78  SER A C   1 
ATOM   588  O O   . SER A 1 78  ? 12.170 -17.856 12.733  1.00 27.80 ? 78  SER A O   1 
ATOM   589  C CB  . SER A 1 78  ? 11.864 -17.766 9.673   1.00 29.05 ? 78  SER A CB  1 
ATOM   590  O OG  . SER A 1 78  ? 11.252 -19.036 9.467   1.00 27.77 ? 78  SER A OG  1 
ATOM   591  N N   . LYS A 1 79  ? 9.972  -18.280 12.442  1.00 35.77 ? 79  LYS A N   1 
ATOM   592  C CA  . LYS A 1 79  ? 9.835  -19.174 13.585  1.00 34.85 ? 79  LYS A CA  1 
ATOM   593  C C   . LYS A 1 79  ? 10.077 -20.629 13.211  1.00 33.07 ? 79  LYS A C   1 
ATOM   594  O O   . LYS A 1 79  ? 9.951  -21.506 14.069  1.00 36.39 ? 79  LYS A O   1 
ATOM   595  C CB  . LYS A 1 79  ? 8.449  -18.997 14.225  1.00 37.86 ? 79  LYS A CB  1 
ATOM   596  C CG  . LYS A 1 79  ? 8.190  -17.623 14.867  1.00 36.20 ? 79  LYS A CG  1 
ATOM   597  C CD  . LYS A 1 79  ? 9.199  -17.285 15.974  1.00 39.42 ? 79  LYS A CD  1 
ATOM   598  C CE  . LYS A 1 79  ? 8.928  -18.169 17.206  1.00 43.14 ? 79  LYS A CE  1 
ATOM   599  N NZ  . LYS A 1 79  ? 9.216  -17.547 18.547  1.00 48.58 ? 79  LYS A NZ  1 
ATOM   600  N N   . ASN A 1 80  ? 10.437 -20.908 11.962  1.00 27.62 ? 80  ASN A N   1 
ATOM   601  C CA  . ASN A 1 80  ? 10.853 -22.256 11.611  1.00 29.17 ? 80  ASN A CA  1 
ATOM   602  C C   . ASN A 1 80  ? 12.107 -22.616 12.402  1.00 32.42 ? 80  ASN A C   1 
ATOM   603  O O   . ASN A 1 80  ? 13.052 -21.828 12.466  1.00 27.23 ? 80  ASN A O   1 
ATOM   604  C CB  . ASN A 1 80  ? 11.137 -22.355 10.124  1.00 34.15 ? 80  ASN A CB  1 
ATOM   605  C CG  . ASN A 1 80  ? 11.404 -23.765 9.694   1.00 36.71 ? 80  ASN A CG  1 
ATOM   606  O OD1 . ASN A 1 80  ? 11.063 -24.712 10.409  1.00 38.58 ? 80  ASN A OD1 1 
ATOM   607  N ND2 . ASN A 1 80  ? 12.031 -23.928 8.535   1.00 35.05 ? 80  ASN A ND2 1 
ATOM   608  N N   . MET A 1 81  ? 12.119 -23.805 13.009  1.00 31.22 ? 81  MET A N   1 
ATOM   609  C CA  . MET A 1 81  ? 13.185 -24.203 13.935  1.00 30.61 ? 81  MET A CA  1 
ATOM   610  C C   . MET A 1 81  ? 13.525 -25.672 13.701  1.00 29.94 ? 81  MET A C   1 
ATOM   611  O O   . MET A 1 81  ? 13.216 -26.534 14.531  1.00 33.36 ? 81  MET A O   1 
ATOM   612  C CB  . MET A 1 81  ? 12.751 -23.983 15.389  1.00 31.36 ? 81  MET A CB  1 
ATOM   613  C CG  . MET A 1 81  ? 13.901 -24.024 16.437  1.00 32.13 ? 81  MET A CG  1 
ATOM   614  S SD  . MET A 1 81  ? 15.523 -23.361 15.913  1.00 27.41 ? 81  MET A SD  1 
ATOM   615  C CE  . MET A 1 81  ? 15.098 -21.651 15.553  1.00 27.21 ? 81  MET A CE  1 
ATOM   616  N N   . PRO A 1 82  ? 14.161 -25.998 12.571  1.00 28.46 ? 82  PRO A N   1 
ATOM   617  C CA  . PRO A 1 82  ? 14.541 -27.400 12.325  1.00 27.38 ? 82  PRO A CA  1 
ATOM   618  C C   . PRO A 1 82  ? 15.721 -27.875 13.155  1.00 32.50 ? 82  PRO A C   1 
ATOM   619  O O   . PRO A 1 82  ? 15.948 -29.092 13.231  1.00 31.74 ? 82  PRO A O   1 
ATOM   620  C CB  . PRO A 1 82  ? 14.890 -27.413 10.834  1.00 35.31 ? 82  PRO A CB  1 
ATOM   621  C CG  . PRO A 1 82  ? 15.350 -26.023 10.569  1.00 31.07 ? 82  PRO A CG  1 
ATOM   622  C CD  . PRO A 1 82  ? 14.510 -25.135 11.428  1.00 30.12 ? 82  PRO A CD  1 
ATOM   623  N N   . PHE A 1 83  ? 16.488 -26.968 13.758  1.00 25.16 ? 83  PHE A N   1 
ATOM   624  C CA  . PHE A 1 83  ? 17.597 -27.387 14.604  1.00 26.04 ? 83  PHE A CA  1 
ATOM   625  C C   . PHE A 1 83  ? 17.063 -28.128 15.825  1.00 26.83 ? 83  PHE A C   1 
ATOM   626  O O   . PHE A 1 83  ? 16.047 -27.739 16.407  1.00 26.44 ? 83  PHE A O   1 
ATOM   627  C CB  . PHE A 1 83  ? 18.429 -26.177 15.046  1.00 24.97 ? 83  PHE A CB  1 
ATOM   628  C CG  . PHE A 1 83  ? 18.993 -25.363 13.907  1.00 23.29 ? 83  PHE A CG  1 
ATOM   629  C CD1 . PHE A 1 83  ? 20.252 -25.643 13.388  1.00 21.50 ? 83  PHE A CD1 1 
ATOM   630  C CD2 . PHE A 1 83  ? 18.280 -24.295 13.381  1.00 24.06 ? 83  PHE A CD2 1 
ATOM   631  C CE1 . PHE A 1 83  ? 20.788 -24.891 12.355  1.00 23.95 ? 83  PHE A CE1 1 
ATOM   632  C CE2 . PHE A 1 83  ? 18.802 -23.537 12.324  1.00 22.21 ? 83  PHE A CE2 1 
ATOM   633  C CZ  . PHE A 1 83  ? 20.060 -23.836 11.811  1.00 24.27 ? 83  PHE A CZ  1 
ATOM   634  N N   . GLN A 1 84  ? 17.764 -29.188 16.224  1.00 29.11 ? 84  GLN A N   1 
ATOM   635  C CA  . GLN A 1 84  ? 17.355 -30.037 17.344  1.00 30.77 ? 84  GLN A CA  1 
ATOM   636  C C   . GLN A 1 84  ? 18.232 -29.793 18.568  1.00 28.77 ? 84  GLN A C   1 
ATOM   637  O O   . GLN A 1 84  ? 19.461 -29.729 18.454  1.00 26.71 ? 84  GLN A O   1 
ATOM   638  C CB  . GLN A 1 84  ? 17.416 -31.516 16.947  1.00 29.09 ? 84  GLN A CB  1 
ATOM   639  C CG  . GLN A 1 84  ? 16.612 -31.858 15.683  1.00 33.79 ? 84  GLN A CG  1 
ATOM   640  C CD  . GLN A 1 84  ? 15.117 -31.687 15.898  1.00 41.96 ? 84  GLN A CD  1 
ATOM   641  O OE1 . GLN A 1 84  ? 14.510 -30.725 15.427  1.00 43.29 ? 84  GLN A OE1 1 
ATOM   642  N NE2 . GLN A 1 84  ? 14.520 -32.611 16.647  1.00 46.74 ? 84  GLN A NE2 1 
ATOM   643  N N   . ASP A 1 85  ? 17.592 -29.689 19.735  1.00 28.44 ? 85  ASP A N   1 
ATOM   644  C CA  . ASP A 1 85  ? 18.268 -29.515 21.023  1.00 29.14 ? 85  ASP A CA  1 
ATOM   645  C C   . ASP A 1 85  ? 19.372 -30.545 21.230  1.00 28.70 ? 85  ASP A C   1 
ATOM   646  O O   . ASP A 1 85  ? 19.131 -31.752 21.148  1.00 29.42 ? 85  ASP A O   1 
ATOM   647  C CB  . ASP A 1 85  ? 17.222 -29.615 22.139  1.00 28.34 ? 85  ASP A CB  1 
ATOM   648  C CG  . ASP A 1 85  ? 17.690 -29.016 23.464  1.00 30.54 ? 85  ASP A CG  1 
ATOM   649  O OD1 . ASP A 1 85  ? 18.870 -28.623 23.601  1.00 25.75 ? 85  ASP A OD1 1 
ATOM   650  O OD2 . ASP A 1 85  ? 16.848 -28.951 24.384  1.00 30.99 ? 85  ASP A OD2 1 
ATOM   651  N N   . GLY A 1 86  ? 20.592 -30.060 21.470  1.00 27.40 ? 86  GLY A N   1 
ATOM   652  C CA  . GLY A 1 86  ? 21.734 -30.896 21.795  1.00 27.46 ? 86  GLY A CA  1 
ATOM   653  C C   . GLY A 1 86  ? 22.338 -31.703 20.664  1.00 33.08 ? 86  GLY A C   1 
ATOM   654  O O   . GLY A 1 86  ? 23.150 -32.595 20.931  1.00 34.57 ? 86  GLY A O   1 
ATOM   655  N N   . GLN A 1 87  ? 22.010 -31.401 19.416  1.00 29.14 ? 87  GLN A N   1 
ATOM   656  C CA  . GLN A 1 87  ? 22.419 -32.207 18.274  1.00 33.46 ? 87  GLN A CA  1 
ATOM   657  C C   . GLN A 1 87  ? 23.362 -31.404 17.386  1.00 31.53 ? 87  GLN A C   1 
ATOM   658  O O   . GLN A 1 87  ? 23.281 -30.173 17.322  1.00 27.36 ? 87  GLN A O   1 
ATOM   659  C CB  . GLN A 1 87  ? 21.178 -32.633 17.461  1.00 32.42 ? 87  GLN A CB  1 
ATOM   660  C CG  . GLN A 1 87  ? 20.166 -33.462 18.262  1.00 31.12 ? 87  GLN A CG  1 
ATOM   661  C CD  . GLN A 1 87  ? 20.828 -34.547 19.065  1.00 40.20 ? 87  GLN A CD  1 
ATOM   662  O OE1 . GLN A 1 87  ? 21.689 -35.254 18.548  1.00 45.78 ? 87  GLN A OE1 1 
ATOM   663  N NE2 . GLN A 1 87  ? 20.471 -34.664 20.345  1.00 35.20 ? 87  GLN A NE2 1 
ATOM   664  N N   . GLU A 1 88  ? 24.234 -32.096 16.660  1.00 32.24 ? 88  GLU A N   1 
ATOM   665  C CA  . GLU A 1 88  ? 24.919 -31.377 15.602  1.00 31.50 ? 88  GLU A CA  1 
ATOM   666  C C   . GLU A 1 88  ? 23.964 -31.069 14.467  1.00 29.76 ? 88  GLU A C   1 
ATOM   667  O O   . GLU A 1 88  ? 22.893 -31.661 14.332  1.00 31.52 ? 88  GLU A O   1 
ATOM   668  C CB  . GLU A 1 88  ? 26.158 -32.117 15.086  1.00 35.43 ? 88  GLU A CB  1 
ATOM   669  C CG  . GLU A 1 88  ? 27.220 -32.150 16.149  1.00 46.68 ? 88  GLU A CG  1 
ATOM   670  C CD  . GLU A 1 88  ? 28.497 -32.857 15.756  1.00 53.90 ? 88  GLU A CD  1 
ATOM   671  O OE1 . GLU A 1 88  ? 28.515 -33.450 14.658  1.00 57.42 ? 88  GLU A OE1 1 
ATOM   672  O OE2 . GLU A 1 88  ? 29.462 -32.839 16.567  1.00 59.08 ? 88  GLU A OE2 1 
ATOM   673  N N   . PHE A 1 89  ? 24.368 -30.102 13.663  1.00 29.02 ? 89  PHE A N   1 
ATOM   674  C CA  . PHE A 1 89  ? 23.579 -29.634 12.544  1.00 27.11 ? 89  PHE A CA  1 
ATOM   675  C C   . PHE A 1 89  ? 24.487 -29.499 11.340  1.00 26.36 ? 89  PHE A C   1 
ATOM   676  O O   . PHE A 1 89  ? 25.706 -29.345 11.466  1.00 23.69 ? 89  PHE A O   1 
ATOM   677  C CB  . PHE A 1 89  ? 22.887 -28.309 12.875  1.00 22.25 ? 89  PHE A CB  1 
ATOM   678  C CG  . PHE A 1 89  ? 23.831 -27.197 13.233  1.00 25.94 ? 89  PHE A CG  1 
ATOM   679  C CD1 . PHE A 1 89  ? 24.515 -26.493 12.251  1.00 24.88 ? 89  PHE A CD1 1 
ATOM   680  C CD2 . PHE A 1 89  ? 24.026 -26.845 14.558  1.00 22.34 ? 89  PHE A CD2 1 
ATOM   681  C CE1 . PHE A 1 89  ? 25.375 -25.469 12.585  1.00 27.33 ? 89  PHE A CE1 1 
ATOM   682  C CE2 . PHE A 1 89  ? 24.884 -25.811 14.898  1.00 23.95 ? 89  PHE A CE2 1 
ATOM   683  C CZ  . PHE A 1 89  ? 25.555 -25.121 13.918  1.00 22.43 ? 89  PHE A CZ  1 
ATOM   684  N N   . GLU A 1 90  ? 23.877 -29.601 10.172  1.00 25.34 ? 90  GLU A N   1 
ATOM   685  C CA  . GLU A 1 90  ? 24.541 -29.366 8.908   1.00 24.01 ? 90  GLU A CA  1 
ATOM   686  C C   . GLU A 1 90  ? 23.772 -28.240 8.243   1.00 23.82 ? 90  GLU A C   1 
ATOM   687  O O   . GLU A 1 90  ? 22.575 -28.383 7.972   1.00 28.67 ? 90  GLU A O   1 
ATOM   688  C CB  . GLU A 1 90  ? 24.544 -30.638 8.061   1.00 28.33 ? 90  GLU A CB  1 
ATOM   689  N N   . LEU A 1 91  ? 24.442 -27.119 8.008   1.00 22.45 ? 91  LEU A N   1 
ATOM   690  C CA  . LEU A 1 91  ? 23.803 -25.909 7.503   1.00 23.34 ? 91  LEU A CA  1 
ATOM   691  C C   . LEU A 1 91  ? 24.390 -25.607 6.133   1.00 30.74 ? 91  LEU A C   1 
ATOM   692  O O   . LEU A 1 91  ? 25.613 -25.495 5.999   1.00 30.63 ? 91  LEU A O   1 
ATOM   693  C CB  . LEU A 1 91  ? 24.028 -24.757 8.487   1.00 28.24 ? 91  LEU A CB  1 
ATOM   694  C CG  . LEU A 1 91  ? 23.751 -23.326 8.077   1.00 33.71 ? 91  LEU A CG  1 
ATOM   695  C CD1 . LEU A 1 91  ? 22.250 -23.164 7.980   1.00 35.20 ? 91  LEU A CD1 1 
ATOM   696  C CD2 . LEU A 1 91  ? 24.288 -22.407 9.164   1.00 28.44 ? 91  LEU A CD2 1 
ATOM   697  N N   . SER A 1 92  ? 23.524 -25.490 5.120   1.00 24.99 ? 92  SER A N   1 
ATOM   698  C CA  . SER A 1 92  ? 23.952 -25.328 3.734   1.00 25.45 ? 92  SER A CA  1 
ATOM   699  C C   . SER A 1 92  ? 23.259 -24.114 3.128   1.00 28.02 ? 92  SER A C   1 
ATOM   700  O O   . SER A 1 92  ? 22.024 -24.071 3.060   1.00 29.79 ? 92  SER A O   1 
ATOM   701  C CB  . SER A 1 92  ? 23.632 -26.597 2.936   1.00 29.74 ? 92  SER A CB  1 
ATOM   702  O OG  . SER A 1 92  ? 24.181 -26.545 1.643   1.00 36.17 ? 92  SER A OG  1 
ATOM   703  N N   . ILE A 1 93  ? 24.045 -23.137 2.675   1.00 23.32 ? 93  ILE A N   1 
ATOM   704  C CA  . ILE A 1 93  ? 23.532 -21.867 2.175   1.00 20.64 ? 93  ILE A CA  1 
ATOM   705  C C   . ILE A 1 93  ? 23.882 -21.785 0.698   1.00 26.05 ? 93  ILE A C   1 
ATOM   706  O O   . ILE A 1 93  ? 25.058 -21.617 0.357   1.00 24.76 ? 93  ILE A O   1 
ATOM   707  C CB  . ILE A 1 93  ? 24.125 -20.675 2.934   1.00 22.81 ? 93  ILE A CB  1 
ATOM   708  C CG1 . ILE A 1 93  ? 23.824 -20.782 4.437   1.00 23.00 ? 93  ILE A CG1 1 
ATOM   709  C CG2 . ILE A 1 93  ? 23.577 -19.356 2.339   1.00 23.47 ? 93  ILE A CG2 1 
ATOM   710  C CD1 . ILE A 1 93  ? 24.429 -19.645 5.250   1.00 24.68 ? 93  ILE A CD1 1 
ATOM   711  N N   . SER A 1 94  ? 22.869 -21.887 -0.176  1.00 23.01 ? 94  SER A N   1 
ATOM   712  C CA  . SER A 1 94  ? 23.051 -21.899 -1.629  1.00 26.52 ? 94  SER A CA  1 
ATOM   713  C C   . SER A 1 94  ? 22.742 -20.542 -2.248  1.00 22.63 ? 94  SER A C   1 
ATOM   714  O O   . SER A 1 94  ? 21.736 -19.911 -1.920  1.00 24.21 ? 94  SER A O   1 
ATOM   715  C CB  . SER A 1 94  ? 22.146 -22.948 -2.289  1.00 28.53 ? 94  SER A CB  1 
ATOM   716  O OG  . SER A 1 94  ? 22.632 -24.255 -2.066  1.00 39.63 ? 94  SER A OG  1 
ATOM   717  N N   . VAL A 1 95  ? 23.588 -20.111 -3.178  1.00 22.54 ? 95  VAL A N   1 
ATOM   718  C CA  . VAL A 1 95  ? 23.369 -18.860 -3.890  1.00 22.30 ? 95  VAL A CA  1 
ATOM   719  C C   . VAL A 1 95  ? 22.586 -19.186 -5.157  1.00 25.62 ? 95  VAL A C   1 
ATOM   720  O O   . VAL A 1 95  ? 23.118 -19.802 -6.084  1.00 25.63 ? 95  VAL A O   1 
ATOM   721  C CB  . VAL A 1 95  ? 24.684 -18.157 -4.234  1.00 25.28 ? 95  VAL A CB  1 
ATOM   722  C CG1 . VAL A 1 95  ? 24.404 -16.805 -4.903  1.00 24.50 ? 95  VAL A CG1 1 
ATOM   723  C CG2 . VAL A 1 95  ? 25.524 -17.983 -3.001  1.00 24.70 ? 95  VAL A CG2 1 
ATOM   724  N N   . LEU A 1 96  ? 21.336 -18.776 -5.196  1.00 26.22 ? 96  LEU A N   1 
ATOM   725  C CA  . LEU A 1 96  ? 20.499 -18.877 -6.384  1.00 22.82 ? 96  LEU A CA  1 
ATOM   726  C C   . LEU A 1 96  ? 20.510 -17.537 -7.095  1.00 23.55 ? 96  LEU A C   1 
ATOM   727  O O   . LEU A 1 96  ? 20.960 -16.530 -6.534  1.00 22.75 ? 96  LEU A O   1 
ATOM   728  C CB  . LEU A 1 96  ? 19.081 -19.271 -5.967  1.00 24.17 ? 96  LEU A CB  1 
ATOM   729  C CG  . LEU A 1 96  ? 19.000 -20.595 -5.179  1.00 27.04 ? 96  LEU A CG  1 
ATOM   730  C CD1 . LEU A 1 96  ? 17.557 -21.034 -4.986  1.00 29.95 ? 96  LEU A CD1 1 
ATOM   731  C CD2 . LEU A 1 96  ? 19.833 -21.718 -5.808  1.00 33.33 ? 96  LEU A CD2 1 
ATOM   732  N N   . PRO A 1 97  ? 20.016 -17.464 -8.346  1.00 26.34 ? 97  PRO A N   1 
ATOM   733  C CA  . PRO A 1 97  ? 20.055 -16.161 -9.037  1.00 25.44 ? 97  PRO A CA  1 
ATOM   734  C C   . PRO A 1 97  ? 19.329 -15.061 -8.291  1.00 23.40 ? 97  PRO A C   1 
ATOM   735  O O   . PRO A 1 97  ? 19.766 -13.907 -8.309  1.00 26.21 ? 97  PRO A O   1 
ATOM   736  C CB  . PRO A 1 97  ? 19.392 -16.453 -10.404 1.00 26.94 ? 97  PRO A CB  1 
ATOM   737  C CG  . PRO A 1 97  ? 19.527 -17.914 -10.606 1.00 25.73 ? 97  PRO A CG  1 
ATOM   738  C CD  . PRO A 1 97  ? 19.479 -18.534 -9.212  1.00 26.07 ? 97  PRO A CD  1 
ATOM   739  N N   . ASP A 1 98  ? 18.226 -15.388 -7.632  1.00 20.73 ? 98  ASP A N   1 
ATOM   740  C CA  . ASP A 1 98  ? 17.372 -14.405 -6.991  1.00 25.78 ? 98  ASP A CA  1 
ATOM   741  C C   . ASP A 1 98  ? 17.488 -14.364 -5.471  1.00 23.22 ? 98  ASP A C   1 
ATOM   742  O O   . ASP A 1 98  ? 17.033 -13.385 -4.860  1.00 20.80 ? 98  ASP A O   1 
ATOM   743  C CB  . ASP A 1 98  ? 15.908 -14.662 -7.390  1.00 29.92 ? 98  ASP A CB  1 
ATOM   744  C CG  . ASP A 1 98  ? 15.446 -16.098 -7.064  1.00 40.63 ? 98  ASP A CG  1 
ATOM   745  O OD1 . ASP A 1 98  ? 16.320 -16.971 -6.836  1.00 37.84 ? 98  ASP A OD1 1 
ATOM   746  O OD2 . ASP A 1 98  ? 14.226 -16.394 -7.160  1.00 42.69 ? 98  ASP A OD2 1 
ATOM   747  N N   . LYS A 1 99  ? 18.091 -15.370 -4.847  1.00 23.98 ? 99  LYS A N   1 
ATOM   748  C CA  . LYS A 1 99  ? 18.002 -15.484 -3.393  1.00 21.06 ? 99  LYS A CA  1 
ATOM   749  C C   . LYS A 1 99  ? 19.066 -16.436 -2.871  1.00 20.37 ? 99  LYS A C   1 
ATOM   750  O O   . LYS A 1 99  ? 19.651 -17.218 -3.623  1.00 20.49 ? 99  LYS A O   1 
ATOM   751  C CB  . LYS A 1 99  ? 16.624 -16.003 -2.962  1.00 22.97 ? 99  LYS A CB  1 
ATOM   752  C CG  . LYS A 1 99  ? 16.346 -17.443 -3.470  1.00 28.91 ? 99  LYS A CG  1 
ATOM   753  C CD  . LYS A 1 99  ? 15.064 -17.991 -2.868  1.00 31.36 ? 99  LYS A CD  1 
ATOM   754  C CE  . LYS A 1 99  ? 13.797 -17.427 -3.460  1.00 34.56 ? 99  LYS A CE  1 
ATOM   755  N NZ  . LYS A 1 99  ? 13.483 -17.868 -4.830  1.00 28.43 ? 99  LYS A NZ  1 
ATOM   756  N N   . TYR A 1 100 ? 19.288 -16.371 -1.555  1.00 21.69 ? 100 TYR A N   1 
ATOM   757  C CA  . TYR A 1 100 ? 19.949 -17.446 -0.836  1.00 22.89 ? 100 TYR A CA  1 
ATOM   758  C C   . TYR A 1 100 ? 18.909 -18.480 -0.436  1.00 23.02 ? 100 TYR A C   1 
ATOM   759  O O   . TYR A 1 100 ? 17.806 -18.134 -0.010  1.00 24.51 ? 100 TYR A O   1 
ATOM   760  C CB  . TYR A 1 100 ? 20.666 -16.928 0.419   1.00 19.25 ? 100 TYR A CB  1 
ATOM   761  C CG  . TYR A 1 100 ? 21.771 -15.944 0.116   1.00 21.41 ? 100 TYR A CG  1 
ATOM   762  C CD1 . TYR A 1 100 ? 23.006 -16.374 -0.365  1.00 21.85 ? 100 TYR A CD1 1 
ATOM   763  C CD2 . TYR A 1 100 ? 21.570 -14.584 0.283   1.00 21.25 ? 100 TYR A CD2 1 
ATOM   764  C CE1 . TYR A 1 100 ? 24.023 -15.466 -0.646  1.00 20.55 ? 100 TYR A CE1 1 
ATOM   765  C CE2 . TYR A 1 100 ? 22.579 -13.666 0.006   1.00 20.62 ? 100 TYR A CE2 1 
ATOM   766  C CZ  . TYR A 1 100 ? 23.800 -14.119 -0.456  1.00 21.15 ? 100 TYR A CZ  1 
ATOM   767  O OH  . TYR A 1 100 ? 24.794 -13.212 -0.740  1.00 24.70 ? 100 TYR A OH  1 
ATOM   768  N N   . GLN A 1 101 ? 19.261 -19.751 -0.567  1.00 22.06 ? 101 GLN A N   1 
ATOM   769  C CA  . GLN A 1 101 ? 18.460 -20.820 0.010   1.00 23.24 ? 101 GLN A CA  1 
ATOM   770  C C   . GLN A 1 101 ? 19.234 -21.458 1.153   1.00 22.84 ? 101 GLN A C   1 
ATOM   771  O O   . GLN A 1 101 ? 20.391 -21.848 0.979   1.00 23.93 ? 101 GLN A O   1 
ATOM   772  C CB  . GLN A 1 101 ? 18.103 -21.885 -1.016  1.00 25.71 ? 101 GLN A CB  1 
ATOM   773  C CG  . GLN A 1 101 ? 17.217 -22.935 -0.384  1.00 33.63 ? 101 GLN A CG  1 
ATOM   774  C CD  . GLN A 1 101 ? 16.447 -23.705 -1.409  1.00 32.01 ? 101 GLN A CD  1 
ATOM   775  O OE1 . GLN A 1 101 ? 15.281 -24.031 -1.206  1.00 34.27 ? 101 GLN A OE1 1 
ATOM   776  N NE2 . GLN A 1 101 ? 17.097 -24.021 -2.510  1.00 30.69 ? 101 GLN A NE2 1 
ATOM   777  N N   . VAL A 1 102 ? 18.582 -21.604 2.301   1.00 23.12 ? 102 VAL A N   1 
ATOM   778  C CA  . VAL A 1 102 ? 19.226 -22.132 3.497   1.00 20.42 ? 102 VAL A CA  1 
ATOM   779  C C   . VAL A 1 102 ? 18.595 -23.471 3.826   1.00 24.37 ? 102 VAL A C   1 
ATOM   780  O O   . VAL A 1 102 ? 17.413 -23.535 4.190   1.00 24.57 ? 102 VAL A O   1 
ATOM   781  C CB  . VAL A 1 102 ? 19.107 -21.166 4.684   1.00 22.91 ? 102 VAL A CB  1 
ATOM   782  C CG1 . VAL A 1 102 ? 19.879 -21.714 5.880   1.00 22.41 ? 102 VAL A CG1 1 
ATOM   783  C CG2 . VAL A 1 102 ? 19.610 -19.788 4.296   1.00 24.03 ? 102 VAL A CG2 1 
ATOM   784  N N   . MET A 1 103 ? 19.396 -24.529 3.750   1.00 22.12 ? 103 MET A N   1 
ATOM   785  C CA  . MET A 1 103 ? 18.978 -25.870 4.123   1.00 21.27 ? 103 MET A CA  1 
ATOM   786  C C   . MET A 1 103 ? 19.577 -26.252 5.473   1.00 25.33 ? 103 MET A C   1 
ATOM   787  O O   . MET A 1 103 ? 20.740 -25.949 5.763   1.00 25.52 ? 103 MET A O   1 
ATOM   788  C CB  . MET A 1 103 ? 19.396 -26.868 3.045   1.00 22.56 ? 103 MET A CB  1 
ATOM   789  C CG  . MET A 1 103 ? 18.541 -26.739 1.771   1.00 32.30 ? 103 MET A CG  1 
ATOM   790  S SD  . MET A 1 103 ? 18.659 -28.200 0.731   1.00 45.96 ? 103 MET A SD  1 
ATOM   791  C CE  . MET A 1 103 ? 19.029 -27.441 -0.848  1.00 43.91 ? 103 MET A CE  1 
ATOM   792  N N   . VAL A 1 104 ? 18.778 -26.904 6.307   1.00 22.42 ? 104 VAL A N   1 
ATOM   793  C CA  . VAL A 1 104 ? 19.232 -27.379 7.613   1.00 24.45 ? 104 VAL A CA  1 
ATOM   794  C C   . VAL A 1 104 ? 18.954 -28.866 7.684   1.00 28.94 ? 104 VAL A C   1 
ATOM   795  O O   . VAL A 1 104 ? 17.790 -29.285 7.621   1.00 28.19 ? 104 VAL A O   1 
ATOM   796  C CB  . VAL A 1 104 ? 18.552 -26.635 8.771   1.00 21.89 ? 104 VAL A CB  1 
ATOM   797  C CG1 . VAL A 1 104 ? 19.145 -27.087 10.107  1.00 26.00 ? 104 VAL A CG1 1 
ATOM   798  C CG2 . VAL A 1 104 ? 18.730 -25.140 8.597   1.00 24.63 ? 104 VAL A CG2 1 
ATOM   799  N N   . ASN A 1 105 ? 20.022 -29.658 7.793   1.00 26.27 ? 105 ASN A N   1 
ATOM   800  C CA  . ASN A 1 105 ? 19.920 -31.108 7.885   1.00 27.61 ? 105 ASN A CA  1 
ATOM   801  C C   . ASN A 1 105 ? 19.183 -31.680 6.673   1.00 32.60 ? 105 ASN A C   1 
ATOM   802  O O   . ASN A 1 105 ? 18.408 -32.628 6.789   1.00 36.70 ? 105 ASN A O   1 
ATOM   803  C CB  . ASN A 1 105 ? 19.241 -31.523 9.198   1.00 28.39 ? 105 ASN A CB  1 
ATOM   804  C CG  . ASN A 1 105 ? 20.005 -31.048 10.435  1.00 32.45 ? 105 ASN A CG  1 
ATOM   805  O OD1 . ASN A 1 105 ? 21.230 -30.993 10.432  1.00 26.17 ? 105 ASN A OD1 1 
ATOM   806  N ND2 . ASN A 1 105 ? 19.277 -30.697 11.492  1.00 26.02 ? 105 ASN A ND2 1 
ATOM   807  N N   . GLY A 1 106 ? 19.419 -31.089 5.498   1.00 30.69 ? 106 GLY A N   1 
ATOM   808  C CA  . GLY A 1 106 ? 18.821 -31.552 4.259   1.00 33.32 ? 106 GLY A CA  1 
ATOM   809  C C   . GLY A 1 106 ? 17.478 -30.939 3.905   1.00 39.08 ? 106 GLY A C   1 
ATOM   810  O O   . GLY A 1 106 ? 16.975 -31.182 2.799   1.00 39.57 ? 106 GLY A O   1 
ATOM   811  N N   . GLN A 1 107 ? 16.896 -30.146 4.795   1.00 35.58 ? 107 GLN A N   1 
ATOM   812  C CA  . GLN A 1 107 ? 15.549 -29.607 4.656   1.00 39.73 ? 107 GLN A CA  1 
ATOM   813  C C   . GLN A 1 107 ? 15.644 -28.117 4.333   1.00 33.14 ? 107 GLN A C   1 
ATOM   814  O O   . GLN A 1 107 ? 16.290 -27.370 5.069   1.00 27.60 ? 107 GLN A O   1 
ATOM   815  C CB  . GLN A 1 107 ? 14.792 -29.849 5.969   1.00 40.25 ? 107 GLN A CB  1 
ATOM   816  C CG  . GLN A 1 107 ? 13.668 -28.890 6.338   1.00 42.96 ? 107 GLN A CG  1 
ATOM   817  C CD  . GLN A 1 107 ? 12.859 -29.401 7.530   1.00 47.55 ? 107 GLN A CD  1 
ATOM   818  O OE1 . GLN A 1 107 ? 13.358 -30.190 8.335   1.00 47.39 ? 107 GLN A OE1 1 
ATOM   819  N NE2 . GLN A 1 107 ? 11.616 -28.944 7.654   1.00 50.40 ? 107 GLN A NE2 1 
ATOM   820  N N   . SER A 1 108 ? 15.034 -27.688 3.224   1.00 29.20 ? 108 SER A N   1 
ATOM   821  C CA  . SER A 1 108 ? 14.957 -26.255 2.930   1.00 26.58 ? 108 SER A CA  1 
ATOM   822  C C   . SER A 1 108 ? 14.190 -25.550 4.040   1.00 29.75 ? 108 SER A C   1 
ATOM   823  O O   . SER A 1 108 ? 13.088 -25.963 4.401   1.00 33.89 ? 108 SER A O   1 
ATOM   824  C CB  . SER A 1 108 ? 14.277 -26.003 1.581   1.00 29.29 ? 108 SER A CB  1 
ATOM   825  O OG  . SER A 1 108 ? 14.180 -24.604 1.327   1.00 32.13 ? 108 SER A OG  1 
ATOM   826  N N   . SER A 1 109 ? 14.773 -24.490 4.597   1.00 23.69 ? 109 SER A N   1 
ATOM   827  C CA  . SER A 1 109 ? 14.202 -23.957 5.829   1.00 24.04 ? 109 SER A CA  1 
ATOM   828  C C   . SER A 1 109 ? 14.016 -22.448 5.795   1.00 27.37 ? 109 SER A C   1 
ATOM   829  O O   . SER A 1 109 ? 13.105 -21.922 6.444   1.00 27.34 ? 109 SER A O   1 
ATOM   830  C CB  . SER A 1 109 ? 15.080 -24.360 7.012   1.00 29.12 ? 109 SER A CB  1 
ATOM   831  O OG  . SER A 1 109 ? 15.130 -25.774 7.115   1.00 32.47 ? 109 SER A OG  1 
ATOM   832  N N   . TYR A 1 110 ? 14.881 -21.743 5.065   1.00 21.80 ? 110 TYR A N   1 
ATOM   833  C CA  . TYR A 1 110 ? 14.809 -20.293 4.957   1.00 23.60 ? 110 TYR A CA  1 
ATOM   834  C C   . TYR A 1 110 ? 15.258 -19.879 3.562   1.00 20.90 ? 110 TYR A C   1 
ATOM   835  O O   . TYR A 1 110 ? 16.044 -20.583 2.921   1.00 21.26 ? 110 TYR A O   1 
ATOM   836  C CB  . TYR A 1 110 ? 15.697 -19.597 6.012   1.00 22.70 ? 110 TYR A CB  1 
ATOM   837  C CG  . TYR A 1 110 ? 15.614 -20.230 7.383   1.00 26.98 ? 110 TYR A CG  1 
ATOM   838  C CD1 . TYR A 1 110 ? 14.643 -19.824 8.293   1.00 24.22 ? 110 TYR A CD1 1 
ATOM   839  C CD2 . TYR A 1 110 ? 16.498 -21.243 7.767   1.00 24.68 ? 110 TYR A CD2 1 
ATOM   840  C CE1 . TYR A 1 110 ? 14.544 -20.408 9.546   1.00 25.73 ? 110 TYR A CE1 1 
ATOM   841  C CE2 . TYR A 1 110 ? 16.402 -21.833 9.023   1.00 25.89 ? 110 TYR A CE2 1 
ATOM   842  C CZ  . TYR A 1 110 ? 15.419 -21.412 9.901   1.00 27.07 ? 110 TYR A CZ  1 
ATOM   843  O OH  . TYR A 1 110 ? 15.319 -21.982 11.148  1.00 25.71 ? 110 TYR A OH  1 
ATOM   844  N N   . THR A 1 111 ? 14.747 -18.738 3.091   1.00 22.17 ? 111 THR A N   1 
ATOM   845  C CA  . THR A 1 111 ? 15.314 -18.074 1.925   1.00 25.00 ? 111 THR A CA  1 
ATOM   846  C C   . THR A 1 111 ? 15.378 -16.574 2.185   1.00 24.73 ? 111 THR A C   1 
ATOM   847  O O   . THR A 1 111 ? 14.709 -16.042 3.075   1.00 23.02 ? 111 THR A O   1 
ATOM   848  C CB  . THR A 1 111 ? 14.524 -18.357 0.625   1.00 26.60 ? 111 THR A CB  1 
ATOM   849  O OG1 . THR A 1 111 ? 13.197 -17.836 0.741   1.00 25.83 ? 111 THR A OG1 1 
ATOM   850  C CG2 . THR A 1 111 ? 14.455 -19.854 0.342   1.00 27.92 ? 111 THR A CG2 1 
ATOM   851  N N   . PHE A 1 112 ? 16.178 -15.885 1.371   1.00 23.68 ? 112 PHE A N   1 
ATOM   852  C CA  . PHE A 1 112 ? 16.429 -14.456 1.562   1.00 22.68 ? 112 PHE A CA  1 
ATOM   853  C C   . PHE A 1 112 ? 16.814 -13.876 0.207   1.00 23.31 ? 112 PHE A C   1 
ATOM   854  O O   . PHE A 1 112 ? 17.858 -14.234 -0.344  1.00 21.36 ? 112 PHE A O   1 
ATOM   855  C CB  . PHE A 1 112 ? 17.527 -14.241 2.601   1.00 22.64 ? 112 PHE A CB  1 
ATOM   856  C CG  . PHE A 1 112 ? 17.806 -12.802 2.937   1.00 20.44 ? 112 PHE A CG  1 
ATOM   857  C CD1 . PHE A 1 112 ? 17.094 -12.153 3.937   1.00 22.15 ? 112 PHE A CD1 1 
ATOM   858  C CD2 . PHE A 1 112 ? 18.852 -12.123 2.321   1.00 22.82 ? 112 PHE A CD2 1 
ATOM   859  C CE1 . PHE A 1 112 ? 17.390 -10.840 4.283   1.00 24.55 ? 112 PHE A CE1 1 
ATOM   860  C CE2 . PHE A 1 112 ? 19.154 -10.819 2.665   1.00 22.91 ? 112 PHE A CE2 1 
ATOM   861  C CZ  . PHE A 1 112 ? 18.422 -10.173 3.643   1.00 24.66 ? 112 PHE A CZ  1 
ATOM   862  N N   . ASP A 1 113 ? 15.961 -13.011 -0.336  1.00 21.93 ? 113 ASP A N   1 
ATOM   863  C CA  . ASP A 1 113 ? 16.225 -12.429 -1.647  1.00 22.63 ? 113 ASP A CA  1 
ATOM   864  C C   . ASP A 1 113 ? 17.455 -11.532 -1.601  1.00 23.09 ? 113 ASP A C   1 
ATOM   865  O O   . ASP A 1 113 ? 17.682 -10.810 -0.620  1.00 22.77 ? 113 ASP A O   1 
ATOM   866  C CB  . ASP A 1 113 ? 15.020 -11.618 -2.120  1.00 27.25 ? 113 ASP A CB  1 
ATOM   867  C CG  . ASP A 1 113 ? 13.845 -12.492 -2.535  1.00 36.60 ? 113 ASP A CG  1 
ATOM   868  O OD1 . ASP A 1 113 ? 13.962 -13.734 -2.464  1.00 33.06 ? 113 ASP A OD1 1 
ATOM   869  O OD2 . ASP A 1 113 ? 12.802 -11.926 -2.931  1.00 36.66 ? 113 ASP A OD2 1 
ATOM   870  N N   . HIS A 1 114 ? 18.238 -11.557 -2.682  1.00 21.62 ? 114 HIS A N   1 
ATOM   871  C CA  . HIS A 1 114 ? 19.426 -10.721 -2.733  1.00 25.70 ? 114 HIS A CA  1 
ATOM   872  C C   . HIS A 1 114 ? 19.035 -9.254  -2.652  1.00 26.47 ? 114 HIS A C   1 
ATOM   873  O O   . HIS A 1 114 ? 18.166 -8.784  -3.393  1.00 29.85 ? 114 HIS A O   1 
ATOM   874  C CB  . HIS A 1 114 ? 20.226 -10.985 -4.016  1.00 25.78 ? 114 HIS A CB  1 
ATOM   875  C CG  . HIS A 1 114 ? 20.756 -12.382 -4.120  1.00 25.89 ? 114 HIS A CG  1 
ATOM   876  N ND1 . HIS A 1 114 ? 21.566 -12.946 -3.154  1.00 21.84 ? 114 HIS A ND1 1 
ATOM   877  C CD2 . HIS A 1 114 ? 20.616 -13.318 -5.089  1.00 24.73 ? 114 HIS A CD2 1 
ATOM   878  C CE1 . HIS A 1 114 ? 21.876 -14.180 -3.510  1.00 25.41 ? 114 HIS A CE1 1 
ATOM   879  N NE2 . HIS A 1 114 ? 21.320 -14.428 -4.686  1.00 23.77 ? 114 HIS A NE2 1 
ATOM   880  N N   . ARG A 1 115 ? 19.655 -8.537  -1.725  1.00 22.86 ? 115 ARG A N   1 
ATOM   881  C CA  . ARG A 1 115 ? 19.556 -7.086  -1.690  1.00 25.53 ? 115 ARG A CA  1 
ATOM   882  C C   . ARG A 1 115 ? 20.774 -6.419  -2.298  1.00 30.98 ? 115 ARG A C   1 
ATOM   883  O O   . ARG A 1 115 ? 20.660 -5.331  -2.875  1.00 31.57 ? 115 ARG A O   1 
ATOM   884  C CB  . ARG A 1 115 ? 19.377 -6.608  -0.253  1.00 24.41 ? 115 ARG A CB  1 
ATOM   885  C CG  . ARG A 1 115 ? 18.113 -7.166  0.397   1.00 26.49 ? 115 ARG A CG  1 
ATOM   886  C CD  . ARG A 1 115 ? 18.098 -6.891  1.869   1.00 27.45 ? 115 ARG A CD  1 
ATOM   887  N NE  . ARG A 1 115 ? 16.933 -7.476  2.518   1.00 25.85 ? 115 ARG A NE  1 
ATOM   888  C CZ  . ARG A 1 115 ? 16.637 -7.291  3.799   1.00 28.06 ? 115 ARG A CZ  1 
ATOM   889  N NH1 . ARG A 1 115 ? 17.436 -6.556  4.562   1.00 26.52 ? 115 ARG A NH1 1 
ATOM   890  N NH2 . ARG A 1 115 ? 15.545 -7.836  4.317   1.00 26.83 ? 115 ARG A NH2 1 
ATOM   891  N N   . ILE A 1 116 ? 21.919 -7.077  -2.173  1.00 26.42 ? 116 ILE A N   1 
ATOM   892  C CA  . ILE A 1 116 ? 23.181 -6.679  -2.763  1.00 24.34 ? 116 ILE A CA  1 
ATOM   893  C C   . ILE A 1 116 ? 23.674 -7.880  -3.549  1.00 28.31 ? 116 ILE A C   1 
ATOM   894  O O   . ILE A 1 116 ? 23.492 -9.025  -3.114  1.00 26.82 ? 116 ILE A O   1 
ATOM   895  C CB  . ILE A 1 116 ? 24.209 -6.257  -1.693  1.00 24.79 ? 116 ILE A CB  1 
ATOM   896  C CG1 . ILE A 1 116 ? 23.700 -5.036  -0.917  1.00 24.57 ? 116 ILE A CG1 1 
ATOM   897  C CG2 . ILE A 1 116 ? 25.583 -5.972  -2.326  1.00 25.31 ? 116 ILE A CG2 1 
ATOM   898  C CD1 . ILE A 1 116 ? 24.519 -4.743  0.309   1.00 25.61 ? 116 ILE A CD1 1 
ATOM   899  N N   . LYS A 1 117 ? 24.281 -7.618  -4.714  1.00 25.41 ? 117 LYS A N   1 
ATOM   900  C CA  . LYS A 1 117 ? 24.863 -8.677  -5.528  1.00 25.71 ? 117 LYS A CA  1 
ATOM   901  C C   . LYS A 1 117 ? 25.787 -9.558  -4.678  1.00 22.26 ? 117 LYS A C   1 
ATOM   902  O O   . LYS A 1 117 ? 26.617 -9.032  -3.924  1.00 24.34 ? 117 LYS A O   1 
ATOM   903  C CB  . LYS A 1 117 ? 25.584 -8.063  -6.750  1.00 30.36 ? 117 LYS A CB  1 
ATOM   904  C CG  . LYS A 1 117 ? 26.811 -7.152  -6.554  1.00 30.83 ? 117 LYS A CG  1 
ATOM   905  C CD  . LYS A 1 117 ? 27.209 -6.672  -7.967  1.00 36.82 ? 117 LYS A CD  1 
ATOM   906  C CE  . LYS A 1 117 ? 28.437 -5.777  -7.964  1.00 44.61 ? 117 LYS A CE  1 
ATOM   907  N NZ  . LYS A 1 117 ? 28.223 -4.469  -7.299  1.00 51.22 ? 117 LYS A NZ  1 
ATOM   908  N N   . PRO A 1 118 ? 25.658 -10.886 -4.758  1.00 24.17 ? 118 PRO A N   1 
ATOM   909  C CA  . PRO A 1 118 ? 26.533 -11.762 -3.962  1.00 25.45 ? 118 PRO A CA  1 
ATOM   910  C C   . PRO A 1 118 ? 27.996 -11.637 -4.329  1.00 25.90 ? 118 PRO A C   1 
ATOM   911  O O   . PRO A 1 118 ? 28.870 -11.923 -3.494  1.00 23.60 ? 118 PRO A O   1 
ATOM   912  C CB  . PRO A 1 118 ? 25.996 -13.171 -4.269  1.00 25.45 ? 118 PRO A CB  1 
ATOM   913  C CG  . PRO A 1 118 ? 25.303 -13.041 -5.596  1.00 28.49 ? 118 PRO A CG  1 
ATOM   914  C CD  . PRO A 1 118 ? 24.724 -11.646 -5.610  1.00 27.86 ? 118 PRO A CD  1 
ATOM   915  N N   . GLU A 1 119 ? 28.292 -11.235 -5.568  1.00 25.18 ? 119 GLU A N   1 
ATOM   916  C CA  . GLU A 1 119 ? 29.665 -10.947 -5.951  1.00 25.14 ? 119 GLU A CA  1 
ATOM   917  C C   . GLU A 1 119 ? 30.295 -9.849  -5.101  1.00 24.49 ? 119 GLU A C   1 
ATOM   918  O O   . GLU A 1 119 ? 31.510 -9.658  -5.178  1.00 27.46 ? 119 GLU A O   1 
ATOM   919  C CB  . GLU A 1 119 ? 29.716 -10.559 -7.440  1.00 27.61 ? 119 GLU A CB  1 
ATOM   920  C CG  . GLU A 1 119 ? 29.364 -11.704 -8.372  1.00 25.73 ? 119 GLU A CG  1 
ATOM   921  C CD  . GLU A 1 119 ? 27.862 -11.869 -8.595  1.00 31.27 ? 119 GLU A CD  1 
ATOM   922  O OE1 . GLU A 1 119 ? 27.069 -11.060 -8.057  1.00 30.16 ? 119 GLU A OE1 1 
ATOM   923  O OE2 . GLU A 1 119 ? 27.468 -12.819 -9.311  1.00 36.21 ? 119 GLU A OE2 1 
ATOM   924  N N   . ALA A 1 120 ? 29.512 -9.120  -4.300  1.00 23.76 ? 120 ALA A N   1 
ATOM   925  C CA  . ALA A 1 120 ? 30.087 -8.147  -3.378  1.00 23.63 ? 120 ALA A CA  1 
ATOM   926  C C   . ALA A 1 120 ? 30.701 -8.794  -2.141  1.00 24.94 ? 120 ALA A C   1 
ATOM   927  O O   . ALA A 1 120 ? 31.382 -8.102  -1.378  1.00 25.01 ? 120 ALA A O   1 
ATOM   928  C CB  . ALA A 1 120 ? 29.028 -7.132  -2.932  1.00 24.09 ? 120 ALA A CB  1 
ATOM   929  N N   . VAL A 1 121 ? 30.489 -10.091 -1.924  1.00 24.77 ? 121 VAL A N   1 
ATOM   930  C CA  . VAL A 1 121 ? 30.980 -10.751 -0.712  1.00 23.75 ? 121 VAL A CA  1 
ATOM   931  C C   . VAL A 1 121 ? 32.472 -11.021 -0.839  1.00 24.65 ? 121 VAL A C   1 
ATOM   932  O O   . VAL A 1 121 ? 32.943 -11.496 -1.878  1.00 23.38 ? 121 VAL A O   1 
ATOM   933  C CB  . VAL A 1 121 ? 30.208 -12.056 -0.455  1.00 21.55 ? 121 VAL A CB  1 
ATOM   934  C CG1 . VAL A 1 121 ? 30.841 -12.838 0.725   1.00 19.00 ? 121 VAL A CG1 1 
ATOM   935  C CG2 . VAL A 1 121 ? 28.747 -11.739 -0.174  1.00 22.45 ? 121 VAL A CG2 1 
ATOM   936  N N   . LYS A 1 122 ? 33.229 -10.718 0.224   1.00 20.79 ? 122 LYS A N   1 
ATOM   937  C CA  . LYS A 1 122 ? 34.644 -11.060 0.276   1.00 21.96 ? 122 LYS A CA  1 
ATOM   938  C C   . LYS A 1 122 ? 35.024 -11.929 1.461   1.00 22.57 ? 122 LYS A C   1 
ATOM   939  O O   . LYS A 1 122 ? 36.167 -12.399 1.520   1.00 21.77 ? 122 LYS A O   1 
ATOM   940  C CB  . LYS A 1 122 ? 35.515 -9.798  0.323   1.00 24.64 ? 122 LYS A CB  1 
ATOM   941  C CG  . LYS A 1 122 ? 35.452 -8.906  -0.919  1.00 30.03 ? 122 LYS A CG  1 
ATOM   942  C CD  . LYS A 1 122 ? 36.429 -7.750  -0.718  1.00 30.11 ? 122 LYS A CD  1 
ATOM   943  C CE  . LYS A 1 122 ? 36.422 -6.781  -1.881  1.00 38.63 ? 122 LYS A CE  1 
ATOM   944  N NZ  . LYS A 1 122 ? 35.018 -6.517  -2.308  1.00 40.29 ? 122 LYS A NZ  1 
ATOM   945  N N   . MET A 1 123 ? 34.113 -12.150 2.406   1.00 22.24 ? 123 MET A N   1 
ATOM   946  C CA  . MET A 1 123 ? 34.430 -12.806 3.666   1.00 22.27 ? 123 MET A CA  1 
ATOM   947  C C   . MET A 1 123 ? 33.174 -13.369 4.301   1.00 20.86 ? 123 MET A C   1 
ATOM   948  O O   . MET A 1 123 ? 32.121 -12.734 4.250   1.00 22.30 ? 123 MET A O   1 
ATOM   949  C CB  . MET A 1 123 ? 35.052 -11.837 4.660   1.00 23.23 ? 123 MET A CB  1 
ATOM   950  C CG  . MET A 1 123 ? 35.842 -12.548 5.696   1.00 30.91 ? 123 MET A CG  1 
ATOM   951  S SD  . MET A 1 123 ? 35.890 -11.385 7.030   1.00 42.58 ? 123 MET A SD  1 
ATOM   952  C CE  . MET A 1 123 ? 34.193 -11.755 7.520   1.00 24.08 ? 123 MET A CE  1 
ATOM   953  N N   . VAL A 1 124 ? 33.306 -14.537 4.933   1.00 19.02 ? 124 VAL A N   1 
ATOM   954  C CA  . VAL A 1 124 ? 32.228 -15.160 5.690   1.00 17.99 ? 124 VAL A CA  1 
ATOM   955  C C   . VAL A 1 124 ? 32.710 -15.303 7.124   1.00 20.04 ? 124 VAL A C   1 
ATOM   956  O O   . VAL A 1 124 ? 33.865 -15.669 7.358   1.00 21.93 ? 124 VAL A O   1 
ATOM   957  C CB  . VAL A 1 124 ? 31.827 -16.534 5.111   1.00 17.22 ? 124 VAL A CB  1 
ATOM   958  C CG1 . VAL A 1 124 ? 30.795 -17.236 6.025   1.00 16.65 ? 124 VAL A CG1 1 
ATOM   959  C CG2 . VAL A 1 124 ? 31.286 -16.387 3.695   1.00 20.80 ? 124 VAL A CG2 1 
ATOM   960  N N   . GLN A 1 125 ? 31.844 -14.981 8.078   1.00 20.68 ? 125 GLN A N   1 
ATOM   961  C CA  . GLN A 1 125 ? 32.165 -15.116 9.493   1.00 18.89 ? 125 GLN A CA  1 
ATOM   962  C C   . GLN A 1 125 ? 31.087 -15.965 10.149  1.00 21.46 ? 125 GLN A C   1 
ATOM   963  O O   . GLN A 1 125 ? 29.897 -15.760 9.886   1.00 20.94 ? 125 GLN A O   1 
ATOM   964  C CB  . GLN A 1 125 ? 32.255 -13.731 10.135  1.00 20.56 ? 125 GLN A CB  1 
ATOM   965  C CG  . GLN A 1 125 ? 32.657 -13.689 11.586  1.00 33.80 ? 125 GLN A CG  1 
ATOM   966  C CD  . GLN A 1 125 ? 33.140 -12.299 11.979  1.00 41.33 ? 125 GLN A CD  1 
ATOM   967  O OE1 . GLN A 1 125 ? 32.512 -11.603 12.793  1.00 42.85 ? 125 GLN A OE1 1 
ATOM   968  N NE2 . GLN A 1 125 ? 34.231 -11.857 11.340  1.00 38.98 ? 125 GLN A NE2 1 
ATOM   969  N N   . VAL A 1 126 ? 31.496 -16.927 10.982  1.00 19.52 ? 126 VAL A N   1 
ATOM   970  C CA  . VAL A 1 126 ? 30.570 -17.798 11.698  1.00 21.27 ? 126 VAL A CA  1 
ATOM   971  C C   . VAL A 1 126 ? 30.880 -17.665 13.182  1.00 19.31 ? 126 VAL A C   1 
ATOM   972  O O   . VAL A 1 126 ? 32.012 -17.936 13.608  1.00 18.83 ? 126 VAL A O   1 
ATOM   973  C CB  . VAL A 1 126 ? 30.685 -19.264 11.259  1.00 16.55 ? 126 VAL A CB  1 
ATOM   974  C CG1 . VAL A 1 126 ? 29.604 -20.074 11.933  1.00 19.62 ? 126 VAL A CG1 1 
ATOM   975  C CG2 . VAL A 1 126 ? 30.588 -19.413 9.703   1.00 16.70 ? 126 VAL A CG2 1 
ATOM   976  N N   . TRP A 1 127 ? 29.896 -17.254 13.977  1.00 18.83 ? 127 TRP A N   1 
ATOM   977  C CA  . TRP A 1 127 ? 30.238 -16.992 15.373  1.00 20.81 ? 127 TRP A CA  1 
ATOM   978  C C   . TRP A 1 127 ? 29.011 -17.145 16.268  1.00 20.20 ? 127 TRP A C   1 
ATOM   979  O O   . TRP A 1 127 ? 27.956 -17.632 15.842  1.00 17.67 ? 127 TRP A O   1 
ATOM   980  C CB  . TRP A 1 127 ? 30.907 -15.615 15.526  1.00 17.79 ? 127 TRP A CB  1 
ATOM   981  C CG  . TRP A 1 127 ? 30.112 -14.402 15.124  1.00 20.50 ? 127 TRP A CG  1 
ATOM   982  C CD1 . TRP A 1 127 ? 29.562 -14.124 13.892  1.00 19.72 ? 127 TRP A CD1 1 
ATOM   983  C CD2 . TRP A 1 127 ? 29.788 -13.294 15.967  1.00 21.66 ? 127 TRP A CD2 1 
ATOM   984  N NE1 . TRP A 1 127 ? 28.917 -12.900 13.930  1.00 19.77 ? 127 TRP A NE1 1 
ATOM   985  C CE2 . TRP A 1 127 ? 29.050 -12.371 15.190  1.00 21.06 ? 127 TRP A CE2 1 
ATOM   986  C CE3 . TRP A 1 127 ? 30.063 -12.986 17.306  1.00 22.07 ? 127 TRP A CE3 1 
ATOM   987  C CZ2 . TRP A 1 127 ? 28.570 -11.168 15.717  1.00 18.20 ? 127 TRP A CZ2 1 
ATOM   988  C CZ3 . TRP A 1 127 ? 29.589 -11.792 17.831  1.00 19.80 ? 127 TRP A CZ3 1 
ATOM   989  C CH2 . TRP A 1 127 ? 28.856 -10.894 17.039  1.00 23.98 ? 127 TRP A CH2 1 
ATOM   990  N N   . ARG A 1 128 ? 29.203 -16.750 17.532  1.00 18.95 ? 128 ARG A N   1 
ATOM   991  C CA  . ARG A 1 128 ? 28.349 -16.949 18.700  1.00 21.25 ? 128 ARG A CA  1 
ATOM   992  C C   . ARG A 1 128 ? 28.445 -18.390 19.211  1.00 22.53 ? 128 ARG A C   1 
ATOM   993  O O   . ARG A 1 128 ? 29.522 -18.991 19.123  1.00 22.45 ? 128 ARG A O   1 
ATOM   994  C CB  . ARG A 1 128 ? 26.931 -16.465 18.409  1.00 23.74 ? 128 ARG A CB  1 
ATOM   995  C CG  . ARG A 1 128 ? 26.998 -14.929 18.095  1.00 26.53 ? 128 ARG A CG  1 
ATOM   996  C CD  . ARG A 1 128 ? 25.667 -14.271 18.073  1.00 27.54 ? 128 ARG A CD  1 
ATOM   997  N NE  . ARG A 1 128 ? 25.643 -12.893 17.571  1.00 22.27 ? 128 ARG A NE  1 
ATOM   998  C CZ  . ARG A 1 128 ? 25.888 -11.770 18.250  1.00 20.52 ? 128 ARG A CZ  1 
ATOM   999  N NH1 . ARG A 1 128 ? 26.256 -11.767 19.527  1.00 21.70 ? 128 ARG A NH1 1 
ATOM   1000 N NH2 . ARG A 1 128 ? 25.743 -10.606 17.614  1.00 21.96 ? 128 ARG A NH2 1 
ATOM   1001 N N   . ASP A 1 129 ? 27.367 -18.955 19.757  1.00 18.90 ? 129 ASP A N   1 
ATOM   1002 C CA  . ASP A 1 129 ? 27.482 -20.077 20.704  1.00 20.63 ? 129 ASP A CA  1 
ATOM   1003 C C   . ASP A 1 129 ? 27.462 -21.439 20.006  1.00 21.21 ? 129 ASP A C   1 
ATOM   1004 O O   . ASP A 1 129 ? 26.605 -22.281 20.282  1.00 21.63 ? 129 ASP A O   1 
ATOM   1005 C CB  . ASP A 1 129 ? 26.359 -19.989 21.726  1.00 20.24 ? 129 ASP A CB  1 
ATOM   1006 C CG  . ASP A 1 129 ? 26.233 -18.611 22.299  1.00 23.10 ? 129 ASP A CG  1 
ATOM   1007 O OD1 . ASP A 1 129 ? 27.248 -18.110 22.830  1.00 25.28 ? 129 ASP A OD1 1 
ATOM   1008 O OD2 . ASP A 1 129 ? 25.152 -18.004 22.122  1.00 23.36 ? 129 ASP A OD2 1 
ATOM   1009 N N   . ILE A 1 130 ? 28.432 -21.670 19.117  1.00 20.88 ? 130 ILE A N   1 
ATOM   1010 C CA  . ILE A 1 130 ? 28.576 -22.966 18.469  1.00 19.30 ? 130 ILE A CA  1 
ATOM   1011 C C   . ILE A 1 130 ? 30.029 -23.417 18.502  1.00 20.82 ? 130 ILE A C   1 
ATOM   1012 O O   . ILE A 1 130 ? 30.954 -22.619 18.649  1.00 23.37 ? 130 ILE A O   1 
ATOM   1013 C CB  . ILE A 1 130 ? 28.103 -22.955 17.003  1.00 20.93 ? 130 ILE A CB  1 
ATOM   1014 C CG1 . ILE A 1 130 ? 28.968 -21.977 16.199  1.00 22.81 ? 130 ILE A CG1 1 
ATOM   1015 C CG2 . ILE A 1 130 ? 26.619 -22.555 16.945  1.00 22.42 ? 130 ILE A CG2 1 
ATOM   1016 C CD1 . ILE A 1 130 ? 28.756 -22.093 14.741  1.00 34.84 ? 130 ILE A CD1 1 
ATOM   1017 N N   . SER A 1 131 ? 30.216 -24.721 18.346  1.00 19.36 ? 131 SER A N   1 
ATOM   1018 C CA  . SER A 1 131 ? 31.494 -25.280 17.951  1.00 25.06 ? 131 SER A CA  1 
ATOM   1019 C C   . SER A 1 131 ? 31.351 -25.684 16.489  1.00 24.32 ? 131 SER A C   1 
ATOM   1020 O O   . SER A 1 131 ? 30.240 -25.951 16.020  1.00 24.45 ? 131 SER A O   1 
ATOM   1021 C CB  . SER A 1 131 ? 31.880 -26.483 18.815  1.00 23.75 ? 131 SER A CB  1 
ATOM   1022 O OG  . SER A 1 131 ? 30.922 -27.514 18.683  1.00 23.38 ? 131 SER A OG  1 
ATOM   1023 N N   . LEU A 1 132 ? 32.465 -25.698 15.758  1.00 23.62 ? 132 LEU A N   1 
ATOM   1024 C CA  . LEU A 1 132 ? 32.449 -25.920 14.312  1.00 24.67 ? 132 LEU A CA  1 
ATOM   1025 C C   . LEU A 1 132 ? 33.354 -27.089 13.958  1.00 25.38 ? 132 LEU A C   1 
ATOM   1026 O O   . LEU A 1 132 ? 34.528 -27.101 14.351  1.00 30.36 ? 132 LEU A O   1 
ATOM   1027 C CB  . LEU A 1 132 ? 32.944 -24.670 13.584  1.00 26.15 ? 132 LEU A CB  1 
ATOM   1028 C CG  . LEU A 1 132 ? 31.959 -23.567 13.240  1.00 35.68 ? 132 LEU A CG  1 
ATOM   1029 C CD1 . LEU A 1 132 ? 32.633 -22.525 12.343  1.00 28.90 ? 132 LEU A CD1 1 
ATOM   1030 C CD2 . LEU A 1 132 ? 30.740 -24.162 12.569  1.00 36.44 ? 132 LEU A CD2 1 
ATOM   1031 N N   . THR A 1 133 ? 32.829 -28.049 13.189  1.00 25.80 ? 133 THR A N   1 
ATOM   1032 C CA  . THR A 1 133 ? 33.664 -29.152 12.696  1.00 29.37 ? 133 THR A CA  1 
ATOM   1033 C C   . THR A 1 133 ? 34.015 -29.101 11.207  1.00 32.04 ? 133 THR A C   1 
ATOM   1034 O O   . THR A 1 133 ? 35.047 -29.620 10.840  1.00 30.64 ? 133 THR A O   1 
ATOM   1035 C CB  . THR A 1 133 ? 33.004 -30.501 13.007  1.00 29.43 ? 133 THR A CB  1 
ATOM   1036 O OG1 . THR A 1 133 ? 31.634 -30.453 12.637  1.00 38.05 ? 133 THR A OG1 1 
ATOM   1037 C CG2 . THR A 1 133 ? 33.100 -30.789 14.516  1.00 36.84 ? 133 THR A CG2 1 
ATOM   1038 N N   . LYS A 1 134 ? 33.205 -28.504 10.343  1.00 29.81 ? 134 LYS A N   1 
ATOM   1039 C CA  . LYS A 1 134 ? 33.546 -28.239 8.932   1.00 24.10 ? 134 LYS A CA  1 
ATOM   1040 C C   . LYS A 1 134 ? 33.024 -26.878 8.492   1.00 25.86 ? 134 LYS A C   1 
ATOM   1041 O O   . LYS A 1 134 ? 31.928 -26.456 8.879   1.00 24.58 ? 134 LYS A O   1 
ATOM   1042 C CB  . LYS A 1 134 ? 33.022 -29.279 7.853   1.00 38.52 ? 134 LYS A CB  1 
ATOM   1043 C CG  . LYS A 1 134 ? 33.475 -30.814 7.790   1.00 53.27 ? 134 LYS A CG  1 
ATOM   1044 C CD  . LYS A 1 134 ? 35.002 -31.058 7.501   1.00 48.26 ? 134 LYS A CD  1 
ATOM   1045 C CE  . LYS A 1 134 ? 35.454 -30.604 6.062   1.00 50.39 ? 134 LYS A CE  1 
ATOM   1046 N NZ  . LYS A 1 134 ? 34.914 -31.285 4.804   1.00 53.79 ? 134 LYS A NZ  1 
ATOM   1047 N N   . PHE A 1 135 ? 33.778 -26.255 7.591   1.00 24.42 ? 135 PHE A N   1 
ATOM   1048 C CA  . PHE A 1 135 ? 33.360 -25.087 6.829   1.00 22.77 ? 135 PHE A CA  1 
ATOM   1049 C C   . PHE A 1 135 ? 33.863 -25.273 5.406   1.00 25.95 ? 135 PHE A C   1 
ATOM   1050 O O   . PHE A 1 135 ? 35.055 -25.511 5.198   1.00 26.03 ? 135 PHE A O   1 
ATOM   1051 C CB  . PHE A 1 135 ? 33.924 -23.789 7.426   1.00 22.48 ? 135 PHE A CB  1 
ATOM   1052 C CG  . PHE A 1 135 ? 33.433 -22.550 6.738   1.00 23.53 ? 135 PHE A CG  1 
ATOM   1053 C CD1 . PHE A 1 135 ? 34.043 -22.101 5.573   1.00 25.24 ? 135 PHE A CD1 1 
ATOM   1054 C CD2 . PHE A 1 135 ? 32.337 -21.847 7.239   1.00 22.79 ? 135 PHE A CD2 1 
ATOM   1055 C CE1 . PHE A 1 135 ? 33.577 -20.974 4.920   1.00 24.05 ? 135 PHE A CE1 1 
ATOM   1056 C CE2 . PHE A 1 135 ? 31.862 -20.710 6.582   1.00 20.02 ? 135 PHE A CE2 1 
ATOM   1057 C CZ  . PHE A 1 135 ? 32.488 -20.280 5.417   1.00 21.93 ? 135 PHE A CZ  1 
ATOM   1058 N N   . ASN A 1 136 ? 32.966 -25.168 4.433   1.00 23.23 ? 136 ASN A N   1 
ATOM   1059 C CA  . ASN A 1 136 ? 33.346 -25.351 3.036   1.00 28.08 ? 136 ASN A CA  1 
ATOM   1060 C C   . ASN A 1 136 ? 32.577 -24.397 2.136   1.00 27.59 ? 136 ASN A C   1 
ATOM   1061 O O   . ASN A 1 136 ? 31.378 -24.175 2.339   1.00 26.51 ? 136 ASN A O   1 
ATOM   1062 C CB  . ASN A 1 136 ? 33.101 -26.789 2.572   1.00 27.90 ? 136 ASN A CB  1 
ATOM   1063 C CG  . ASN A 1 136 ? 33.475 -26.994 1.121   1.00 39.79 ? 136 ASN A CG  1 
ATOM   1064 O OD1 . ASN A 1 136 ? 32.669 -26.737 0.217   1.00 39.44 ? 136 ASN A OD1 1 
ATOM   1065 N ND2 . ASN A 1 136 ? 34.713 -27.412 0.879   1.00 45.80 ? 136 ASN A ND2 1 
ATOM   1066 N N   . VAL A 1 137 ? 33.275 -23.840 1.142   1.00 24.19 ? 137 VAL A N   1 
ATOM   1067 C CA  . VAL A 1 137 ? 32.669 -23.052 0.073   1.00 24.42 ? 137 VAL A CA  1 
ATOM   1068 C C   . VAL A 1 137 ? 32.950 -23.795 -1.225  1.00 31.72 ? 137 VAL A C   1 
ATOM   1069 O O   . VAL A 1 137 ? 34.106 -24.132 -1.508  1.00 29.77 ? 137 VAL A O   1 
ATOM   1070 C CB  . VAL A 1 137 ? 33.234 -21.621 0.011   1.00 25.73 ? 137 VAL A CB  1 
ATOM   1071 C CG1 . VAL A 1 137 ? 32.781 -20.917 -1.278  1.00 31.34 ? 137 VAL A CG1 1 
ATOM   1072 C CG2 . VAL A 1 137 ? 32.876 -20.818 1.261   1.00 26.26 ? 137 VAL A CG2 1 
ATOM   1073 N N   . SER A 1 138 ? 31.901 -24.084 -1.994  1.00 25.61 ? 138 SER A N   1 
ATOM   1074 C CA  . SER A 1 138 ? 32.064 -24.852 -3.223  1.00 29.11 ? 138 SER A CA  1 
ATOM   1075 C C   . SER A 1 138 ? 31.236 -24.224 -4.328  1.00 35.47 ? 138 SER A C   1 
ATOM   1076 O O   . SER A 1 138 ? 30.193 -23.616 -4.074  1.00 29.60 ? 138 SER A O   1 
ATOM   1077 C CB  . SER A 1 138 ? 31.667 -26.326 -3.051  1.00 37.91 ? 138 SER A CB  1 
ATOM   1078 O OG  . SER A 1 138 ? 32.730 -27.078 -2.488  1.00 46.29 ? 138 SER A OG  1 
ATOM   1079 N N   . TYR A 1 139 ? 31.711 -24.396 -5.565  1.00 42.17 ? 139 TYR A N   1 
ATOM   1080 C CA  . TYR A 1 139 ? 31.160 -23.727 -6.736  1.00 34.64 ? 139 TYR A CA  1 
ATOM   1081 C C   . TYR A 1 139 ? 30.782 -24.728 -7.814  1.00 40.24 ? 139 TYR A C   1 
ATOM   1082 O O   . TYR A 1 139 ? 31.587 -25.590 -8.191  1.00 34.98 ? 139 TYR A O   1 
ATOM   1083 C CB  . TYR A 1 139 ? 32.156 -22.718 -7.311  1.00 37.66 ? 139 TYR A CB  1 
ATOM   1084 C CG  . TYR A 1 139 ? 31.602 -21.916 -8.465  1.00 40.67 ? 139 TYR A CG  1 
ATOM   1085 C CD1 . TYR A 1 139 ? 30.676 -20.905 -8.245  1.00 40.22 ? 139 TYR A CD1 1 
ATOM   1086 C CD2 . TYR A 1 139 ? 31.961 -22.206 -9.784  1.00 40.63 ? 139 TYR A CD2 1 
ATOM   1087 C CE1 . TYR A 1 139 ? 30.155 -20.170 -9.299  1.00 42.53 ? 139 TYR A CE1 1 
ATOM   1088 C CE2 . TYR A 1 139 ? 31.445 -21.473 -10.846 1.00 40.14 ? 139 TYR A CE2 1 
ATOM   1089 C CZ  . TYR A 1 139 ? 30.541 -20.458 -10.594 1.00 41.02 ? 139 TYR A CZ  1 
ATOM   1090 O OH  . TYR A 1 139 ? 30.014 -19.728 -11.634 1.00 42.49 ? 139 TYR A OH  1 
ATOM   1091 N N   . LEU A 1 140 ? 29.569 -24.581 -8.336  1.00 41.78 ? 140 LEU A N   1 
ATOM   1092 C CA  . LEU A 1 140 ? 29.109 -25.445 -9.416  1.00 48.27 ? 140 LEU A CA  1 
ATOM   1093 C C   . LEU A 1 140 ? 28.233 -24.697 -10.425 1.00 46.73 ? 140 LEU A C   1 
ATOM   1094 O O   . LEU A 1 140 ? 27.033 -24.515 -10.211 1.00 50.13 ? 140 LEU A O   1 
ATOM   1095 C CB  . LEU A 1 140 ? 28.368 -26.643 -8.822  1.00 43.61 ? 140 LEU A CB  1 
ATOM   1096 C CG  . LEU A 1 140 ? 28.019 -27.793 -9.763  1.00 54.38 ? 140 LEU A CG  1 
ATOM   1097 C CD1 . LEU A 1 140 ? 29.249 -28.286 -10.505 1.00 50.95 ? 140 LEU A CD1 1 
ATOM   1098 C CD2 . LEU A 1 140 ? 27.427 -28.924 -8.943  1.00 54.95 ? 140 LEU A CD2 1 
HETATM 1099 O O   . HOH B 2 .   ? 33.075 -11.132 -6.080  1.00 35.99 ? 201 HOH A O   1 
HETATM 1100 O O   . HOH B 2 .   ? 16.236 -24.815 -4.550  1.00 24.47 ? 202 HOH A O   1 
HETATM 1101 O O   . HOH B 2 .   ? 12.108 -26.251 8.130   1.00 39.95 ? 203 HOH A O   1 
HETATM 1102 O O   . HOH B 2 .   ? 16.495 -16.895 22.565  1.00 36.57 ? 204 HOH A O   1 
HETATM 1103 O O   . HOH B 2 .   ? 34.774 -25.078 17.099  1.00 28.35 ? 205 HOH A O   1 
HETATM 1104 O O   . HOH B 2 .   ? 16.333 -13.508 17.861  1.00 47.46 ? 206 HOH A O   1 
HETATM 1105 O O   . HOH B 2 .   ? 37.041 -8.019  17.530  1.00 34.70 ? 207 HOH A O   1 
HETATM 1106 O O   . HOH B 2 .   ? 15.690 -30.598 9.108   1.00 39.39 ? 208 HOH A O   1 
HETATM 1107 O O   . HOH B 2 .   ? 32.605 -5.949  -2.043  1.00 36.42 ? 209 HOH A O   1 
HETATM 1108 O O   . HOH B 2 .   ? 31.435 -29.242 16.929  1.00 35.62 ? 210 HOH A O   1 
HETATM 1109 O O   . HOH B 2 .   ? 30.065 -10.308 11.428  1.00 24.14 ? 211 HOH A O   1 
HETATM 1110 O O   . HOH B 2 .   ? 34.003 -11.110 14.772  1.00 37.79 ? 212 HOH A O   1 
HETATM 1111 O O   . HOH B 2 .   ? 15.244 -14.682 25.209  1.00 52.21 ? 213 HOH A O   1 
HETATM 1112 O O   . HOH B 2 .   ? 23.275 -11.256 -1.816  1.00 23.32 ? 214 HOH A O   1 
HETATM 1113 O O   . HOH B 2 .   ? 36.256 -19.648 0.992   1.00 24.77 ? 215 HOH A O   1 
HETATM 1114 O O   . HOH B 2 .   ? 25.267 -14.410 -9.284  1.00 52.93 ? 216 HOH A O   1 
HETATM 1115 O O   . HOH B 2 .   ? 24.521 -24.950 -9.503  1.00 44.70 ? 217 HOH A O   1 
HETATM 1116 O O   . HOH B 2 .   ? 35.173 -11.604 -3.593  1.00 33.42 ? 218 HOH A O   1 
HETATM 1117 O O   . HOH B 2 .   ? 18.025 -3.130  1.791   1.00 36.38 ? 219 HOH A O   1 
HETATM 1118 O O   . HOH B 2 .   ? 11.392 -19.819 6.930   1.00 36.31 ? 220 HOH A O   1 
HETATM 1119 O O   . HOH B 2 .   ? 40.230 -18.926 7.186   1.00 28.85 ? 221 HOH A O   1 
HETATM 1120 O O   . HOH B 2 .   ? 20.118 -30.425 25.131  1.00 37.29 ? 222 HOH A O   1 
HETATM 1121 O O   . HOH B 2 .   ? 11.844 -15.224 -3.154  1.00 37.00 ? 223 HOH A O   1 
HETATM 1122 O O   . HOH B 2 .   ? 34.133 -19.723 20.553  1.00 34.47 ? 224 HOH A O   1 
HETATM 1123 O O   . HOH B 2 .   ? 15.186 -20.960 30.183  1.00 26.74 ? 225 HOH A O   1 
HETATM 1124 O O   . HOH B 2 .   ? 21.108 -28.515 16.693  1.00 34.12 ? 226 HOH A O   1 
HETATM 1125 O O   . HOH B 2 .   ? 17.974 -19.095 21.526  1.00 30.20 ? 227 HOH A O   1 
HETATM 1126 O O   . HOH B 2 .   ? 20.253 -17.818 28.658  1.00 25.40 ? 228 HOH A O   1 
HETATM 1127 O O   . HOH B 2 .   ? 37.858 -5.029  15.104  1.00 43.29 ? 229 HOH A O   1 
HETATM 1128 O O   . HOH B 2 .   ? 38.222 -8.182  13.787  1.00 39.80 ? 230 HOH A O   1 
HETATM 1129 O O   . HOH B 2 .   ? 33.348 -22.667 19.966  1.00 28.61 ? 231 HOH A O   1 
HETATM 1130 O O   . HOH B 2 .   ? 38.713 -6.363  2.359   1.00 30.40 ? 232 HOH A O   1 
HETATM 1131 O O   . HOH B 2 .   ? 26.113 -28.681 1.136   1.00 37.61 ? 233 HOH A O   1 
HETATM 1132 O O   . HOH B 2 .   ? 15.794 -9.676  1.015   1.00 27.75 ? 234 HOH A O   1 
HETATM 1133 O O   . HOH B 2 .   ? 16.079 -19.306 -8.256  1.00 36.13 ? 235 HOH A O   1 
HETATM 1134 O O   . HOH B 2 .   ? 21.938 -27.610 22.073  1.00 29.62 ? 236 HOH A O   1 
HETATM 1135 O O   . HOH B 2 .   ? 18.032 -14.360 16.233  1.00 29.18 ? 237 HOH A O   1 
HETATM 1136 O O   . HOH B 2 .   ? 31.479 -12.689 -3.945  1.00 23.37 ? 238 HOH A O   1 
HETATM 1137 O O   . HOH B 2 .   ? 21.824 -9.456  -0.070  1.00 24.31 ? 239 HOH A O   1 
HETATM 1138 O O   . HOH B 2 .   ? 29.929 -26.196 0.307   1.00 25.78 ? 240 HOH A O   1 
HETATM 1139 O O   . HOH B 2 .   ? 16.566 -31.218 11.360  1.00 38.96 ? 241 HOH A O   1 
HETATM 1140 O O   . HOH B 2 .   ? 15.337 -21.620 23.199  1.00 32.45 ? 242 HOH A O   1 
HETATM 1141 O O   . HOH B 2 .   ? 17.069 -27.366 26.656  1.00 27.03 ? 243 HOH A O   1 
HETATM 1142 O O   . HOH B 2 .   ? 9.889  -21.474 17.087  1.00 42.60 ? 244 HOH A O   1 
HETATM 1143 O O   . HOH B 2 .   ? 24.539 -10.904 -9.168  1.00 36.05 ? 245 HOH A O   1 
HETATM 1144 O O   . HOH B 2 .   ? 13.268 -15.187 -0.066  1.00 30.66 ? 246 HOH A O   1 
HETATM 1145 O O   . HOH B 2 .   ? 31.876 -2.411  1.559   1.00 33.18 ? 247 HOH A O   1 
HETATM 1146 O O   . HOH B 2 .   ? 17.410 -18.901 28.709  1.00 31.10 ? 248 HOH A O   1 
HETATM 1147 O O   . HOH B 2 .   ? 28.021 -17.783 -11.526 1.00 38.93 ? 249 HOH A O   1 
HETATM 1148 O O   . HOH B 2 .   ? 38.185 -6.934  11.405  1.00 34.24 ? 250 HOH A O   1 
HETATM 1149 O O   . HOH B 2 .   ? 11.679 -28.349 16.010  1.00 46.93 ? 251 HOH A O   1 
HETATM 1150 O O   . HOH B 2 .   ? 24.172 -34.871 17.049  1.00 40.45 ? 252 HOH A O   1 
HETATM 1151 O O   . HOH B 2 .   ? 34.937 -28.274 -3.735  1.00 43.03 ? 253 HOH A O   1 
HETATM 1152 O O   . HOH B 2 .   ? 19.947 -8.907  13.593  1.00 28.65 ? 254 HOH A O   1 
HETATM 1153 O O   . HOH B 2 .   ? 13.645 -27.896 17.852  1.00 39.98 ? 255 HOH A O   1 
HETATM 1154 O O   . HOH B 2 .   ? 29.596 -13.533 -11.025 1.00 37.92 ? 256 HOH A O   1 
HETATM 1155 O O   . HOH B 2 .   ? 19.983 -29.948 14.644  1.00 33.81 ? 257 HOH A O   1 
HETATM 1156 O O   . HOH B 2 .   ? 39.106 -18.056 11.330  1.00 35.91 ? 258 HOH A O   1 
HETATM 1157 O O   . HOH B 2 .   ? 24.818 -29.152 22.163  1.00 35.26 ? 259 HOH A O   1 
HETATM 1158 O O   . HOH B 2 .   ? 38.694 -16.981 16.645  1.00 33.27 ? 260 HOH A O   1 
HETATM 1159 O O   . HOH B 2 .   ? 11.777 -18.480 -1.626  1.00 28.26 ? 261 HOH A O   1 
HETATM 1160 O O   . HOH B 2 .   ? 16.815 -33.260 20.474  1.00 36.02 ? 262 HOH A O   1 
HETATM 1161 O O   . HOH B 2 .   ? 13.324 -13.653 3.759   1.00 39.33 ? 263 HOH A O   1 
HETATM 1162 O O   . HOH B 2 .   ? 38.011 -15.253 13.271  1.00 35.16 ? 264 HOH A O   1 
HETATM 1163 O O   . HOH B 2 .   ? 15.066 -11.410 -5.461  1.00 36.58 ? 265 HOH A O   1 
HETATM 1164 O O   . HOH B 2 .   ? 31.635 -1.833  4.335   1.00 27.24 ? 266 HOH A O   1 
HETATM 1165 O O   . HOH B 2 .   ? 31.939 -18.174 20.418  1.00 30.41 ? 267 HOH A O   1 
HETATM 1166 O O   . HOH B 2 .   ? 29.337 -19.300 24.388  1.00 22.91 ? 268 HOH A O   1 
HETATM 1167 O O   . HOH B 2 .   ? 21.111 -24.649 0.331   1.00 31.58 ? 269 HOH A O   1 
HETATM 1168 O O   . HOH B 2 .   ? 19.487 2.405   1.295   1.00 51.98 ? 270 HOH A O   1 
HETATM 1169 O O   . HOH B 2 .   ? 28.825 -2.014  8.179   1.00 24.55 ? 271 HOH A O   1 
HETATM 1170 O O   . HOH B 2 .   ? 16.415 -8.699  16.275  1.00 37.88 ? 272 HOH A O   1 
HETATM 1171 O O   . HOH B 2 .   ? 17.830 -7.729  12.141  1.00 34.65 ? 273 HOH A O   1 
HETATM 1172 O O   . HOH B 2 .   ? 21.544 -29.142 5.212   1.00 30.91 ? 274 HOH A O   1 
HETATM 1173 O O   . HOH B 2 .   ? 22.553 3.115   4.954   1.00 38.79 ? 275 HOH A O   1 
HETATM 1174 O O   . HOH B 2 .   ? 29.810 -17.211 21.784  0.50 34.38 ? 276 HOH A O   1 
HETATM 1175 O O   . HOH B 2 .   ? 13.838 -4.099  10.655  1.00 42.08 ? 277 HOH A O   1 
HETATM 1176 O O   . HOH B 2 .   ? 32.188 -13.617 -6.985  1.00 34.87 ? 278 HOH A O   1 
HETATM 1177 O O   . HOH B 2 .   ? 13.033 -8.310  2.902   1.00 37.82 ? 279 HOH A O   1 
HETATM 1178 O O   . HOH B 2 .   ? 24.200 4.945   5.971   1.00 28.79 ? 280 HOH A O   1 
HETATM 1179 O O   . HOH B 2 .   ? 7.485  -17.025 11.533  1.00 40.45 ? 281 HOH A O   1 
HETATM 1180 O O   . HOH B 2 .   ? 18.213 -3.764  -2.484  1.00 49.71 ? 282 HOH A O   1 
HETATM 1181 O O   . HOH B 2 .   ? 18.041 -15.608 27.402  1.00 40.11 ? 283 HOH A O   1 
HETATM 1182 O O   . HOH B 2 .   ? 21.655 -0.089  12.345  1.00 29.47 ? 284 HOH A O   1 
HETATM 1183 O O   . HOH B 2 .   ? 12.650 -8.388  16.893  1.00 46.15 ? 285 HOH A O   1 
HETATM 1184 O O   . HOH B 2 .   ? 18.837 -9.590  15.841  1.00 36.07 ? 286 HOH A O   1 
HETATM 1185 O O   . HOH B 2 .   ? 22.977 -14.648 -7.689  1.00 36.42 ? 287 HOH A O   1 
HETATM 1186 O O   . HOH B 2 .   ? 24.615 -0.208  13.076  1.00 40.38 ? 288 HOH A O   1 
HETATM 1187 O O   . HOH B 2 .   ? 26.623 -25.026 -13.127 1.00 54.01 ? 289 HOH A O   1 
HETATM 1188 O O   . HOH B 2 .   ? 14.583 -29.520 19.756  1.00 34.61 ? 290 HOH A O   1 
HETATM 1189 O O   . HOH B 2 .   ? 26.271 -15.167 21.784  0.50 29.54 ? 291 HOH A O   1 
HETATM 1190 O O   . HOH B 2 .   ? 37.534 -29.336 9.060   1.00 41.82 ? 292 HOH A O   1 
HETATM 1191 O O   . HOH B 2 .   ? 13.718 -11.921 1.459   1.00 24.39 ? 293 HOH A O   1 
HETATM 1192 O O   . HOH B 2 .   ? 15.510 -3.595  3.619   1.00 39.81 ? 294 HOH A O   1 
HETATM 1193 O O   . HOH B 2 .   ? 22.637 -12.779 -8.858  1.00 43.87 ? 295 HOH A O   1 
HETATM 1194 O O   . HOH B 2 .   ? 30.885 -29.325 0.373   1.00 52.62 ? 296 HOH A O   1 
HETATM 1195 O O   . HOH B 2 .   ? 10.194 -21.403 4.888   1.00 43.71 ? 297 HOH A O   1 
HETATM 1196 O O   . HOH B 2 .   ? 12.445 -17.675 5.325   1.00 31.28 ? 298 HOH A O   1 
HETATM 1197 O O   . HOH B 2 .   ? 30.507 0.882   3.123   1.00 47.19 ? 299 HOH A O   1 
HETATM 1198 O O   . HOH B 2 .   ? 24.947 -25.856 -6.710  1.00 44.56 ? 300 HOH A O   1 
HETATM 1199 O O   . HOH B 2 .   ? 37.237 -10.797 12.837  1.00 35.90 ? 301 HOH A O   1 
HETATM 1200 O O   . HOH B 2 .   ? 35.942 -21.679 -3.281  1.00 38.95 ? 302 HOH A O   1 
HETATM 1201 O O   . HOH B 2 .   ? 33.730 -30.564 -3.748  1.00 56.18 ? 303 HOH A O   1 
HETATM 1202 O O   . HOH B 2 .   ? 13.731 -5.085  2.303   1.00 42.74 ? 304 HOH A O   1 
HETATM 1203 O O   . HOH B 2 .   ? 14.083 -26.896 26.773  1.00 50.16 ? 305 HOH A O   1 
HETATM 1204 O O   . HOH B 2 .   ? 14.657 -0.958  4.235   1.00 47.63 ? 306 HOH A O   1 
HETATM 1205 O O   . HOH B 2 .   ? 12.625 -25.932 19.209  1.00 44.44 ? 307 HOH A O   1 
HETATM 1206 O O   . HOH B 2 .   ? 14.451 -8.155  -0.737  1.00 36.55 ? 308 HOH A O   1 
HETATM 1207 O O   . HOH B 2 .   ? 32.960 -31.286 0.431   1.00 61.64 ? 309 HOH A O   1 
HETATM 1208 O O   . HOH B 2 .   ? 26.806 -28.918 -1.659  1.00 45.30 ? 310 HOH A O   1 
HETATM 1209 O O   . HOH B 2 .   ? 41.232 -25.575 13.022  1.00 37.63 ? 311 HOH A O   1 
HETATM 1210 O O   . HOH B 2 .   ? 20.881 -9.019  -7.162  1.00 39.62 ? 312 HOH A O   1 
HETATM 1211 O O   . HOH B 2 .   ? 37.933 -4.056  17.947  1.00 40.40 ? 313 HOH A O   1 
HETATM 1212 O O   . HOH B 2 .   ? 22.994 -5.598  -8.569  1.00 45.34 ? 314 HOH A O   1 
HETATM 1213 O O   . HOH B 2 .   ? 18.104 -7.990  -8.085  1.00 67.66 ? 315 HOH A O   1 
HETATM 1214 O O   . HOH B 2 .   ? 16.530 -3.852  -0.715  1.00 53.48 ? 316 HOH A O   1 
HETATM 1215 O O   . HOH B 2 .   ? 33.270 0.969   12.235  1.00 49.58 ? 317 HOH A O   1 
# 
