data_9EW8
# 
_entry.id   9EW8 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   9EW8         pdb_00009ew8 10.2210/pdb9ew8/pdb 
WWPDB D_1292137679 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-04-16 
_pdbx_audit_revision_history.part_number         ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9EW8 
_pdbx_database_status.recvd_initial_deposition_date   2024-04-03 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_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           N 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              david.hargreaves@astrazeneca.com 
_pdbx_contact_author.name_first         David 
_pdbx_contact_author.name_last          Hargreaves 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0003-4441-0039 
# 
_audit_author.name               'Hargreaves, D.' 
_audit_author.pdbx_ordinal       1 
_audit_author.identifier_ORCID   ? 
# 
_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                     'Discovery of a Series of Covalent, Cell Active Bfl-1 Inhibitors' 
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
_citation_author.citation_id        primary 
_citation_author.name               'Hargreaves, D.' 
_citation_author.ordinal            1 
_citation_author.identifier_ORCID   ? 
# 
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 'Bcl-2-related protein A1'                     17442.889 1  ? ? ? ? 
2 non-polymer syn '1-[(2R)-2-phenylpyrrolidin-1-yl]propan-1-one' 203.280   1  ? ? ? ? 
3 water       nat water                                          18.015    75 ? ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Bcl-2-like protein 5,Bcl2-L-5,Hemopoietic-specific early response protein,Protein BFL-1,Protein GRS' 
# 
_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       
;GMTDCEFGYIYRLAQDYLQCVLQIPQPGSGPSKTSRVLQNVAFSVQKEVEKNLKSCLDNVNVVSVDTARTLFNQVMEKEF
EDGIINWGRIVTIFAFEGILIKKLLRQQIAPDVDTYKEISYFVAEFIMNNTGEWIRQNGGWENGFVKKFEPK
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GMTDCEFGYIYRLAQDYLQCVLQIPQPGSGPSKTSRVLQNVAFSVQKEVEKNLKSCLDNVNVVSVDTARTLFNQVMEKEF
EDGIINWGRIVTIFAFEGILIKKLLRQQIAPDVDTYKEISYFVAEFIMNNTGEWIRQNGGWENGFVKKFEPK
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 '1-[(2R)-2-phenylpyrrolidin-1-yl]propan-1-one' A1H7Q 
3 water                                          HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLY n 
1 2   MET n 
1 3   THR n 
1 4   ASP n 
1 5   CYS n 
1 6   GLU n 
1 7   PHE n 
1 8   GLY n 
1 9   TYR n 
1 10  ILE n 
1 11  TYR n 
1 12  ARG n 
1 13  LEU n 
1 14  ALA n 
1 15  GLN n 
1 16  ASP n 
1 17  TYR n 
1 18  LEU n 
1 19  GLN n 
1 20  CYS n 
1 21  VAL n 
1 22  LEU n 
1 23  GLN n 
1 24  ILE n 
1 25  PRO n 
1 26  GLN n 
1 27  PRO n 
1 28  GLY n 
1 29  SER n 
1 30  GLY n 
1 31  PRO n 
1 32  SER n 
1 33  LYS n 
1 34  THR n 
1 35  SER n 
1 36  ARG n 
1 37  VAL n 
1 38  LEU n 
1 39  GLN n 
1 40  ASN n 
1 41  VAL n 
1 42  ALA n 
1 43  PHE n 
1 44  SER n 
1 45  VAL n 
1 46  GLN n 
1 47  LYS n 
1 48  GLU n 
1 49  VAL n 
1 50  GLU n 
1 51  LYS n 
1 52  ASN n 
1 53  LEU n 
1 54  LYS n 
1 55  SER n 
1 56  CYS n 
1 57  LEU n 
1 58  ASP n 
1 59  ASN n 
1 60  VAL n 
1 61  ASN n 
1 62  VAL n 
1 63  VAL n 
1 64  SER n 
1 65  VAL n 
1 66  ASP n 
1 67  THR n 
1 68  ALA n 
1 69  ARG n 
1 70  THR n 
1 71  LEU n 
1 72  PHE n 
1 73  ASN n 
1 74  GLN n 
1 75  VAL n 
1 76  MET n 
1 77  GLU n 
1 78  LYS n 
1 79  GLU n 
1 80  PHE n 
1 81  GLU n 
1 82  ASP n 
1 83  GLY n 
1 84  ILE n 
1 85  ILE n 
1 86  ASN n 
1 87  TRP n 
1 88  GLY n 
1 89  ARG n 
1 90  ILE n 
1 91  VAL n 
1 92  THR n 
1 93  ILE n 
1 94  PHE n 
1 95  ALA n 
1 96  PHE n 
1 97  GLU n 
1 98  GLY n 
1 99  ILE n 
1 100 LEU n 
1 101 ILE n 
1 102 LYS n 
1 103 LYS n 
1 104 LEU n 
1 105 LEU n 
1 106 ARG n 
1 107 GLN n 
1 108 GLN n 
1 109 ILE n 
1 110 ALA n 
1 111 PRO n 
1 112 ASP n 
1 113 VAL n 
1 114 ASP n 
1 115 THR n 
1 116 TYR n 
1 117 LYS n 
1 118 GLU n 
1 119 ILE n 
1 120 SER n 
1 121 TYR n 
1 122 PHE n 
1 123 VAL n 
1 124 ALA n 
1 125 GLU n 
1 126 PHE n 
1 127 ILE n 
1 128 MET n 
1 129 ASN n 
1 130 ASN n 
1 131 THR n 
1 132 GLY n 
1 133 GLU n 
1 134 TRP n 
1 135 ILE n 
1 136 ARG n 
1 137 GLN n 
1 138 ASN n 
1 139 GLY n 
1 140 GLY n 
1 141 TRP n 
1 142 GLU n 
1 143 ASN n 
1 144 GLY n 
1 145 PHE n 
1 146 VAL n 
1 147 LYS n 
1 148 LYS n 
1 149 PHE n 
1 150 GLU n 
1 151 PRO n 
1 152 LYS 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                   152 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'BCL2A1, BCL2L5, BFL1, GRS, HBPA1' 
_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 
A1H7Q non-polymer         . '1-[(2R)-2-phenylpyrrolidin-1-yl]propan-1-one' ? 'C13 H17 N O'    203.280 
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  
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   GLY 1   0   ?   ?   ?   A . n 
A 1 2   MET 2   1   ?   ?   ?   A . n 
A 1 3   THR 3   2   ?   ?   ?   A . n 
A 1 4   ASP 4   3   3   ASP ASP A . n 
A 1 5   CYS 5   4   4   CYS CYS A . n 
A 1 6   GLU 6   5   5   GLU GLU A . n 
A 1 7   PHE 7   6   6   PHE PHE A . n 
A 1 8   GLY 8   7   7   GLY GLY A . n 
A 1 9   TYR 9   8   8   TYR TYR A . n 
A 1 10  ILE 10  9   9   ILE ILE A . n 
A 1 11  TYR 11  10  10  TYR TYR A . n 
A 1 12  ARG 12  11  11  ARG ARG A . n 
A 1 13  LEU 13  12  12  LEU LEU A . n 
A 1 14  ALA 14  13  13  ALA ALA A . n 
A 1 15  GLN 15  14  14  GLN GLN A . n 
A 1 16  ASP 16  15  15  ASP ASP A . n 
A 1 17  TYR 17  16  16  TYR TYR A . n 
A 1 18  LEU 18  17  17  LEU LEU A . n 
A 1 19  GLN 19  18  18  GLN GLN A . n 
A 1 20  CYS 20  19  19  CYS CYS A . n 
A 1 21  VAL 21  20  20  VAL VAL A . n 
A 1 22  LEU 22  21  21  LEU LEU A . n 
A 1 23  GLN 23  22  22  GLN GLN A . n 
A 1 24  ILE 24  23  23  ILE ILE A . n 
A 1 25  PRO 25  24  24  PRO PRO A . n 
A 1 26  GLN 26  25  25  GLN GLN A . n 
A 1 27  PRO 27  26  26  PRO PRO A . n 
A 1 28  GLY 28  27  27  GLY GLY A . n 
A 1 29  SER 29  28  28  SER SER A . n 
A 1 30  GLY 30  29  29  GLY GLY A . n 
A 1 31  PRO 31  30  30  PRO PRO A . n 
A 1 32  SER 32  31  31  SER SER A . n 
A 1 33  LYS 33  32  32  LYS LYS A . n 
A 1 34  THR 34  33  33  THR THR A . n 
A 1 35  SER 35  34  34  SER SER A . n 
A 1 36  ARG 36  35  35  ARG ARG A . n 
A 1 37  VAL 37  36  36  VAL VAL A . n 
A 1 38  LEU 38  37  37  LEU LEU A . n 
A 1 39  GLN 39  38  38  GLN GLN A . n 
A 1 40  ASN 40  39  39  ASN ASN A . n 
A 1 41  VAL 41  40  40  VAL VAL A . n 
A 1 42  ALA 42  41  41  ALA ALA A . n 
A 1 43  PHE 43  42  42  PHE PHE A . n 
A 1 44  SER 44  43  43  SER SER A . n 
A 1 45  VAL 45  44  44  VAL VAL A . n 
A 1 46  GLN 46  45  45  GLN GLN A . n 
A 1 47  LYS 47  46  46  LYS LYS A . n 
A 1 48  GLU 48  47  47  GLU GLU A . n 
A 1 49  VAL 49  48  48  VAL VAL A . n 
A 1 50  GLU 50  49  49  GLU GLU A . n 
A 1 51  LYS 51  50  50  LYS LYS A . n 
A 1 52  ASN 52  51  51  ASN ASN A . n 
A 1 53  LEU 53  52  52  LEU LEU A . n 
A 1 54  LYS 54  53  53  LYS LYS A . n 
A 1 55  SER 55  54  54  SER SER A . n 
A 1 56  CYS 56  55  55  CYS CYS A . n 
A 1 57  LEU 57  56  56  LEU LEU A . n 
A 1 58  ASP 58  57  57  ASP ASP A . n 
A 1 59  ASN 59  58  58  ASN ASN A . n 
A 1 60  VAL 60  59  59  VAL VAL A . n 
A 1 61  ASN 61  60  60  ASN ASN A . n 
A 1 62  VAL 62  61  61  VAL VAL A . n 
A 1 63  VAL 63  62  62  VAL VAL A . n 
A 1 64  SER 64  63  63  SER SER A . n 
A 1 65  VAL 65  64  64  VAL VAL A . n 
A 1 66  ASP 66  65  65  ASP ASP A . n 
A 1 67  THR 67  66  66  THR THR A . n 
A 1 68  ALA 68  67  67  ALA ALA A . n 
A 1 69  ARG 69  68  68  ARG ARG A . n 
A 1 70  THR 70  69  69  THR THR A . n 
A 1 71  LEU 71  70  70  LEU LEU A . n 
A 1 72  PHE 72  71  71  PHE PHE A . n 
A 1 73  ASN 73  72  72  ASN ASN A . n 
A 1 74  GLN 74  73  73  GLN GLN A . n 
A 1 75  VAL 75  74  74  VAL VAL A . n 
A 1 76  MET 76  75  75  MET MET A . n 
A 1 77  GLU 77  76  76  GLU GLU A . n 
A 1 78  LYS 78  77  77  LYS LYS A . n 
A 1 79  GLU 79  78  78  GLU GLU A . n 
A 1 80  PHE 80  79  79  PHE PHE A . n 
A 1 81  GLU 81  80  80  GLU GLU A . n 
A 1 82  ASP 82  81  81  ASP ASP A . n 
A 1 83  GLY 83  82  82  GLY GLY A . n 
A 1 84  ILE 84  83  83  ILE ILE A . n 
A 1 85  ILE 85  84  84  ILE ILE A . n 
A 1 86  ASN 86  85  85  ASN ASN A . n 
A 1 87  TRP 87  86  86  TRP TRP A . n 
A 1 88  GLY 88  87  87  GLY GLY A . n 
A 1 89  ARG 89  88  88  ARG ARG A . n 
A 1 90  ILE 90  89  89  ILE ILE A . n 
A 1 91  VAL 91  90  90  VAL VAL A . n 
A 1 92  THR 92  91  91  THR THR A . n 
A 1 93  ILE 93  92  92  ILE ILE A . n 
A 1 94  PHE 94  93  93  PHE PHE A . n 
A 1 95  ALA 95  94  94  ALA ALA A . n 
A 1 96  PHE 96  95  95  PHE PHE A . n 
A 1 97  GLU 97  96  96  GLU GLU A . n 
A 1 98  GLY 98  97  97  GLY GLY A . n 
A 1 99  ILE 99  98  98  ILE ILE A . n 
A 1 100 LEU 100 99  99  LEU LEU A . n 
A 1 101 ILE 101 100 100 ILE ILE A . n 
A 1 102 LYS 102 101 101 LYS LYS A . n 
A 1 103 LYS 103 102 102 LYS LYS A . n 
A 1 104 LEU 104 103 103 LEU LEU A . n 
A 1 105 LEU 105 104 104 LEU LEU A . n 
A 1 106 ARG 106 105 105 ARG ARG A . n 
A 1 107 GLN 107 106 106 GLN GLN A . n 
A 1 108 GLN 108 107 107 GLN GLN A . n 
A 1 109 ILE 109 108 108 ILE ILE A . n 
A 1 110 ALA 110 109 109 ALA ALA A . n 
A 1 111 PRO 111 110 110 PRO PRO A . n 
A 1 112 ASP 112 111 111 ASP ASP A . n 
A 1 113 VAL 113 112 112 VAL VAL A . n 
A 1 114 ASP 114 113 113 ASP ASP A . n 
A 1 115 THR 115 114 114 THR THR A . n 
A 1 116 TYR 116 115 115 TYR TYR A . n 
A 1 117 LYS 117 116 116 LYS LYS A . n 
A 1 118 GLU 118 117 117 GLU GLU A . n 
A 1 119 ILE 119 118 118 ILE ILE A . n 
A 1 120 SER 120 119 119 SER SER A . n 
A 1 121 TYR 121 120 120 TYR TYR A . n 
A 1 122 PHE 122 121 121 PHE PHE A . n 
A 1 123 VAL 123 122 122 VAL VAL A . n 
A 1 124 ALA 124 123 123 ALA ALA A . n 
A 1 125 GLU 125 124 124 GLU GLU A . n 
A 1 126 PHE 126 125 125 PHE PHE A . n 
A 1 127 ILE 127 126 126 ILE ILE A . n 
A 1 128 MET 128 127 127 MET MET A . n 
A 1 129 ASN 129 128 128 ASN ASN A . n 
A 1 130 ASN 130 129 129 ASN ASN A . n 
A 1 131 THR 131 130 130 THR THR A . n 
A 1 132 GLY 132 131 131 GLY GLY A . n 
A 1 133 GLU 133 132 132 GLU GLU A . n 
A 1 134 TRP 134 133 133 TRP TRP A . n 
A 1 135 ILE 135 134 134 ILE ILE A . n 
A 1 136 ARG 136 135 135 ARG ARG A . n 
A 1 137 GLN 137 136 136 GLN GLN A . n 
A 1 138 ASN 138 137 137 ASN ASN A . n 
A 1 139 GLY 139 138 138 GLY GLY A . n 
A 1 140 GLY 140 139 139 GLY GLY A . n 
A 1 141 TRP 141 140 140 TRP TRP A . n 
A 1 142 GLU 142 141 141 GLU GLU A . n 
A 1 143 ASN 143 142 142 ASN ASN A . n 
A 1 144 GLY 144 143 143 GLY GLY A . n 
A 1 145 PHE 145 144 144 PHE PHE A . n 
A 1 146 VAL 146 145 145 VAL VAL A . n 
A 1 147 LYS 147 146 146 LYS LYS A . n 
A 1 148 LYS 148 147 147 LYS LYS A . n 
A 1 149 PHE 149 148 148 PHE PHE A . n 
A 1 150 GLU 150 149 149 GLU GLU A . n 
A 1 151 PRO 151 150 150 PRO PRO A . n 
A 1 152 LYS 152 151 151 LYS LYS A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1H7Q 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1H7Q 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 A1H7Q 1  201 201 A1H7Q INH A . 
C 3 HOH   1  301 31  HOH   HOH A . 
C 3 HOH   2  302 22  HOH   HOH A . 
C 3 HOH   3  303 74  HOH   HOH A . 
C 3 HOH   4  304 2   HOH   HOH A . 
C 3 HOH   5  305 12  HOH   HOH A . 
C 3 HOH   6  306 49  HOH   HOH A . 
C 3 HOH   7  307 47  HOH   HOH A . 
C 3 HOH   8  308 3   HOH   HOH A . 
C 3 HOH   9  309 29  HOH   HOH A . 
C 3 HOH   10 310 15  HOH   HOH A . 
C 3 HOH   11 311 39  HOH   HOH A . 
C 3 HOH   12 312 53  HOH   HOH A . 
C 3 HOH   13 313 40  HOH   HOH A . 
C 3 HOH   14 314 36  HOH   HOH A . 
C 3 HOH   15 315 55  HOH   HOH A . 
C 3 HOH   16 316 19  HOH   HOH A . 
C 3 HOH   17 317 33  HOH   HOH A . 
C 3 HOH   18 318 41  HOH   HOH A . 
C 3 HOH   19 319 9   HOH   HOH A . 
C 3 HOH   20 320 42  HOH   HOH A . 
C 3 HOH   21 321 37  HOH   HOH A . 
C 3 HOH   22 322 4   HOH   HOH A . 
C 3 HOH   23 323 58  HOH   HOH A . 
C 3 HOH   24 324 63  HOH   HOH A . 
C 3 HOH   25 325 21  HOH   HOH A . 
C 3 HOH   26 326 64  HOH   HOH A . 
C 3 HOH   27 327 16  HOH   HOH A . 
C 3 HOH   28 328 8   HOH   HOH A . 
C 3 HOH   29 329 27  HOH   HOH A . 
C 3 HOH   30 330 45  HOH   HOH A . 
C 3 HOH   31 331 25  HOH   HOH A . 
C 3 HOH   32 332 10  HOH   HOH A . 
C 3 HOH   33 333 54  HOH   HOH A . 
C 3 HOH   34 334 26  HOH   HOH A . 
C 3 HOH   35 335 11  HOH   HOH A . 
C 3 HOH   36 336 34  HOH   HOH A . 
C 3 HOH   37 337 18  HOH   HOH A . 
C 3 HOH   38 338 68  HOH   HOH A . 
C 3 HOH   39 339 17  HOH   HOH A . 
C 3 HOH   40 340 56  HOH   HOH A . 
C 3 HOH   41 341 14  HOH   HOH A . 
C 3 HOH   42 342 30  HOH   HOH A . 
C 3 HOH   43 343 1   HOH   HOH A . 
C 3 HOH   44 344 66  HOH   HOH A . 
C 3 HOH   45 345 20  HOH   HOH A . 
C 3 HOH   46 346 23  HOH   HOH A . 
C 3 HOH   47 347 65  HOH   HOH A . 
C 3 HOH   48 348 44  HOH   HOH A . 
C 3 HOH   49 349 70  HOH   HOH A . 
C 3 HOH   50 350 73  HOH   HOH A . 
C 3 HOH   51 351 43  HOH   HOH A . 
C 3 HOH   52 352 28  HOH   HOH A . 
C 3 HOH   53 353 61  HOH   HOH A . 
C 3 HOH   54 354 7   HOH   HOH A . 
C 3 HOH   55 355 46  HOH   HOH A . 
C 3 HOH   56 356 60  HOH   HOH A . 
C 3 HOH   57 357 24  HOH   HOH A . 
C 3 HOH   58 358 59  HOH   HOH A . 
C 3 HOH   59 359 72  HOH   HOH A . 
C 3 HOH   60 360 62  HOH   HOH A . 
C 3 HOH   61 361 38  HOH   HOH A . 
C 3 HOH   62 362 32  HOH   HOH A . 
C 3 HOH   63 363 57  HOH   HOH A . 
C 3 HOH   64 364 69  HOH   HOH A . 
C 3 HOH   65 365 5   HOH   HOH A . 
C 3 HOH   66 366 75  HOH   HOH A . 
C 3 HOH   67 367 71  HOH   HOH A . 
C 3 HOH   68 368 48  HOH   HOH A . 
C 3 HOH   69 369 51  HOH   HOH A . 
C 3 HOH   70 370 67  HOH   HOH A . 
C 3 HOH   71 371 52  HOH   HOH A . 
C 3 HOH   72 372 50  HOH   HOH A . 
C 3 HOH   73 373 35  HOH   HOH A . 
C 3 HOH   74 374 13  HOH   HOH A . 
C 3 HOH   75 375 6   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 GLU 47  ? CG  ? A GLU 48  CG  
2  1 Y 1 A GLU 47  ? CD  ? A GLU 48  CD  
3  1 Y 1 A GLU 47  ? OE1 ? A GLU 48  OE1 
4  1 Y 1 A GLU 47  ? OE2 ? A GLU 48  OE2 
5  1 Y 1 A LYS 116 ? CE  ? A LYS 117 CE  
6  1 Y 1 A LYS 116 ? NZ  ? A LYS 117 NZ  
7  1 Y 1 A ARG 135 ? NE  ? A ARG 136 NE  
8  1 Y 1 A ARG 135 ? CZ  ? A ARG 136 CZ  
9  1 Y 1 A ARG 135 ? NH1 ? A ARG 136 NH1 
10 1 Y 1 A ARG 135 ? NH2 ? A ARG 136 NH2 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? MOSFLM  ? ? ? .                      1 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .                      2 
? refinement       ? ? ? ? ? ? ? ? ? ? ? BUSTER  ? ? ? '2.11.8 (26-JUL-2023)' 3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .                      4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   101.86 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9EW8 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     39.910 
_cell.length_a_esd                 ? 
_cell.length_b                     42.960 
_cell.length_b_esd                 ? 
_cell.length_c                     42.980 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        2 
_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                         9EW8 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                4 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 1 21 1' 
_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                   9EW8 
_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             2.07 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          40.50 
_exptl_crystal.description                  'bundles of plates' 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '0.85M sodium citrate, 0.1M PCTP pH 6' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS 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         2021-01-20 
_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   0.97950 
_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                        'DIAMOND BEAMLINE I04' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.97950 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   I04 
_diffrn_source.pdbx_synchrotron_site       Diamond 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9EW8 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.488 
_reflns.d_resolution_low                               42.062 
_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                                     15969 
_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                           88.5 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                4.9 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          15.6 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.488 
_reflns_shell.d_res_low                                     1.618 
_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                             798 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.534 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            -1.11140 
_refine.aniso_B[1][2]                            0.00000 
_refine.aniso_B[1][3]                            -0.08010 
_refine.aniso_B[2][2]                            0.39250 
_refine.aniso_B[2][3]                            0.00000 
_refine.aniso_B[3][3]                            0.71890 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               31.54 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.946 
_refine.correlation_coeff_Fo_to_Fc_free          0.914 
_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                                 9EW8 
_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                            1.488 
_refine.ls_d_res_low                             39.06 
_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                     15899 
_refine.ls_number_reflns_R_free                  800 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    67.6 
_refine.ls_percent_reflns_R_free                 5.030 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2245 
_refine.ls_R_factor_R_free                       0.2710 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2221 
_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                    ? 
_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                          0.000 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               THROUGHOUT 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             ? 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             ? 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   0.131 
_refine.pdbx_overall_SU_R_free_Blow_DPI          0.131 
_refine.pdbx_overall_SU_R_Blow_DPI               0.132 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            ? 
_refine.overall_SU_R_Cruickshank_DPI             0.131 
_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_analyze.entry_id                        9EW8 
_refine_analyze.pdbx_refine_id                  'X-RAY DIFFRACTION' 
_refine_analyze.Luzzati_coordinate_error_free   ? 
_refine_analyze.Luzzati_coordinate_error_obs    0.25 
_refine_analyze.Luzzati_d_res_low_free          ? 
_refine_analyze.Luzzati_d_res_low_obs           ? 
_refine_analyze.Luzzati_sigma_a_free            ? 
_refine_analyze.Luzzati_sigma_a_free_details    ? 
_refine_analyze.Luzzati_sigma_a_obs             ? 
_refine_analyze.Luzzati_sigma_a_obs_details     ? 
_refine_analyze.number_disordered_residues      ? 
_refine_analyze.occupancy_sum_hydrogen          ? 
_refine_analyze.occupancy_sum_non_hydrogen      ? 
_refine_analyze.RG_d_res_high                   ? 
_refine_analyze.RG_d_res_low                    ? 
_refine_analyze.RG_free                         ? 
_refine_analyze.RG_work                         ? 
_refine_analyze.RG_free_work_ratio              ? 
_refine_analyze.pdbx_Luzzati_d_res_high_obs     ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.488 
_refine_hist.d_res_low                        39.06 
_refine_hist.number_atoms_solvent             75 
_refine_hist.number_atoms_total               1288 
_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        1198 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         15 
_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' ? 0.011 ? 1261 ? t_bond_d                  2.00  HARMONIC     
'X-RAY DIFFRACTION' ? 1.04  ? 1709 ? t_angle_deg               2.00  HARMONIC     
'X-RAY DIFFRACTION' ? ?     ? 454  ? t_dihedral_angle_d        2.00  SINUSOIDAL   
'X-RAY DIFFRACTION' ? ?     ? ?    ? t_incorr_chiral_ct        ?     ?            
'X-RAY DIFFRACTION' ? ?     ? ?    ? t_pseud_angle             ?     ?            
'X-RAY DIFFRACTION' ? ?     ? ?    ? t_trig_c_planes           ?     ?            
'X-RAY DIFFRACTION' ? ?     ? 227  ? t_gen_planes              5.00  HARMONIC     
'X-RAY DIFFRACTION' ? ?     ? 1261 ? t_it                      10.00 HARMONIC     
'X-RAY DIFFRACTION' ? ?     ? ?    ? t_nbd                     ?     ?            
'X-RAY DIFFRACTION' ? 2.75  ? ?    ? t_omega_torsion           ?     ?            
'X-RAY DIFFRACTION' ? 18.05 ? ?    ? t_other_torsion           ?     ?            
'X-RAY DIFFRACTION' ? ?     ? ?    ? t_improper_torsion        ?     ?            
'X-RAY DIFFRACTION' ? ?     ? 161  ? t_chiral_improper_torsion 5.00  SEMIHARMONIC 
'X-RAY DIFFRACTION' ? ?     ? ?    ? t_sum_occupancies         ?     ?            
'X-RAY DIFFRACTION' ? ?     ? ?    ? t_utility_distance        ?     ?            
'X-RAY DIFFRACTION' ? ?     ? ?    ? t_utility_angle           ?     ?            
'X-RAY DIFFRACTION' ? ?     ? ?    ? t_utility_torsion         ?     ?            
'X-RAY DIFFRACTION' ? ?     ? 1230 ? t_ideal_dist_contact      4.00  SEMIHARMONIC 
# 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_ls_shell.d_res_high                       1.49 
_refine_ls_shell.d_res_low                        1.57 
_refine_ls_shell.number_reflns_all                398 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             ? 
_refine_ls_shell.number_reflns_R_work             378 
_refine_ls_shell.percent_reflns_obs               11.28 
_refine_ls_shell.percent_reflns_R_free            5.03 
_refine_ls_shell.R_factor_all                     0.2930 
_refine_ls_shell.R_factor_obs                     ? 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.R_factor_R_work                  0.2934 
_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   41 
_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                  0.2833 
# 
_struct.entry_id                     9EW8 
_struct.title                        'Discovery of a Series of Covalent, Cell Active Bfl-1 Inhibitors' 
_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        9EW8 
_struct_keywords.text            'Bfl-1, Bcl-2-related protein A1, covalent, APOPTOSIS' 
_struct_keywords.pdbx_keywords   APOPTOSIS 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    B2LA1_HUMAN 
_struct_ref.pdbx_db_accession          Q16548 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;MTDCEFGYIYRLAQDYLQCVLQIPQPGSGPSKTSRVLQNVAFSVQKEVEKNLKSCLDNVNVVSVDTARTLFNQVMEKEFE
DGIINWGRIVTIFAFEGILIKKLLRQQIAPDVDTYKEISYFVAEFIMNNTGEWIRQNGGWENGFVKKFEPK
;
_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              9EW8 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 2 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 152 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q16548 
_struct_ref_seq.db_align_beg                  1 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  151 
_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       151 
# 
_struct_ref_seq_dif.align_id                     1 
_struct_ref_seq_dif.pdbx_pdb_id_code             9EW8 
_struct_ref_seq_dif.mon_id                       GLY 
_struct_ref_seq_dif.pdbx_pdb_strand_id           A 
_struct_ref_seq_dif.seq_num                      1 
_struct_ref_seq_dif.pdbx_pdb_ins_code            ? 
_struct_ref_seq_dif.pdbx_seq_db_name             UNP 
_struct_ref_seq_dif.pdbx_seq_db_accession_code   Q16548 
_struct_ref_seq_dif.db_mon_id                    ? 
_struct_ref_seq_dif.pdbx_seq_db_seq_num          ? 
_struct_ref_seq_dif.details                      'expression tag' 
_struct_ref_seq_dif.pdbx_auth_seq_num            0 
_struct_ref_seq_dif.pdbx_ordinal                 1 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 0    ? 
1 MORE         0    ? 
1 'SSA (A^2)'  8240 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 GLU A 6   ? LEU A 22  ? GLU A 5   LEU A 21  1 ? 17 
HELX_P HELX_P2 AA2 SER A 32  ? LEU A 53  ? SER A 31  LEU A 52  1 ? 22 
HELX_P HELX_P3 AA3 LEU A 53  ? VAL A 60  ? LEU A 52  VAL A 59  1 ? 8  
HELX_P HELX_P4 AA4 SER A 64  ? PHE A 80  ? SER A 63  PHE A 79  1 ? 17 
HELX_P HELX_P5 AA5 ASN A 86  ? GLN A 108 ? ASN A 85  GLN A 107 1 ? 23 
HELX_P HELX_P6 AA6 ASP A 114 ? ASN A 138 ? ASP A 113 ASN A 137 1 ? 25 
HELX_P HELX_P7 AA7 GLY A 139 ? GLY A 144 ? GLY A 138 GLY A 143 1 ? 6  
HELX_P HELX_P8 AA8 GLY A 144 ? GLU A 150 ? GLY A 143 GLU A 149 1 ? 7  
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_conn.id                            covale1 
_struct_conn.conn_type_id                  covale 
_struct_conn.pdbx_leaving_atom_flag        none 
_struct_conn.pdbx_PDB_id                   ? 
_struct_conn.ptnr1_label_asym_id           A 
_struct_conn.ptnr1_label_comp_id           CYS 
_struct_conn.ptnr1_label_seq_id            56 
_struct_conn.ptnr1_label_atom_id           SG 
_struct_conn.pdbx_ptnr1_label_alt_id       ? 
_struct_conn.pdbx_ptnr1_PDB_ins_code       ? 
_struct_conn.pdbx_ptnr1_standard_comp_id   ? 
_struct_conn.ptnr1_symmetry                1_555 
_struct_conn.ptnr2_label_asym_id           B 
_struct_conn.ptnr2_label_comp_id           A1H7Q 
_struct_conn.ptnr2_label_seq_id            . 
_struct_conn.ptnr2_label_atom_id           C 
_struct_conn.pdbx_ptnr2_label_alt_id       ? 
_struct_conn.pdbx_ptnr2_PDB_ins_code       ? 
_struct_conn.ptnr1_auth_asym_id            A 
_struct_conn.ptnr1_auth_comp_id            CYS 
_struct_conn.ptnr1_auth_seq_id             55 
_struct_conn.ptnr2_auth_asym_id            A 
_struct_conn.ptnr2_auth_comp_id            A1H7Q 
_struct_conn.ptnr2_auth_seq_id             201 
_struct_conn.ptnr2_symmetry                1_555 
_struct_conn.pdbx_ptnr3_label_atom_id      ? 
_struct_conn.pdbx_ptnr3_label_seq_id       ? 
_struct_conn.pdbx_ptnr3_label_comp_id      ? 
_struct_conn.pdbx_ptnr3_label_asym_id      ? 
_struct_conn.pdbx_ptnr3_label_alt_id       ? 
_struct_conn.pdbx_ptnr3_PDB_ins_code       ? 
_struct_conn.details                       ? 
_struct_conn.pdbx_dist_value               1.770 
_struct_conn.pdbx_value_order              ? 
_struct_conn.pdbx_role                     ? 
# 
_struct_conn_type.id          covale 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
_pdbx_modification_feature.ordinal                            1 
_pdbx_modification_feature.label_comp_id                      A1H7Q 
_pdbx_modification_feature.label_asym_id                      B 
_pdbx_modification_feature.label_seq_id                       . 
_pdbx_modification_feature.label_alt_id                       ? 
_pdbx_modification_feature.modified_residue_label_comp_id     CYS 
_pdbx_modification_feature.modified_residue_label_asym_id     A 
_pdbx_modification_feature.modified_residue_label_seq_id      56 
_pdbx_modification_feature.modified_residue_label_alt_id      ? 
_pdbx_modification_feature.auth_comp_id                       A1H7Q 
_pdbx_modification_feature.auth_asym_id                       A 
_pdbx_modification_feature.auth_seq_id                        201 
_pdbx_modification_feature.PDB_ins_code                       ? 
_pdbx_modification_feature.symmetry                           1_555 
_pdbx_modification_feature.modified_residue_auth_comp_id      CYS 
_pdbx_modification_feature.modified_residue_auth_asym_id      A 
_pdbx_modification_feature.modified_residue_auth_seq_id       55 
_pdbx_modification_feature.modified_residue_PDB_ins_code      ? 
_pdbx_modification_feature.modified_residue_symmetry          1_555 
_pdbx_modification_feature.comp_id_linking_atom               C 
_pdbx_modification_feature.modified_residue_id_linking_atom   SG 
_pdbx_modification_feature.modified_residue_id                CYS 
_pdbx_modification_feature.ref_pcm_id                         1 
_pdbx_modification_feature.ref_comp_id                        A1H7Q 
_pdbx_modification_feature.type                               None 
_pdbx_modification_feature.category                           'Covalent chemical modification' 
# 
_pdbx_entry_details.entry_id                   9EW8 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   Y 
# 
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 PRO A 26 ? ? -76.01 27.46  
2 1 SER A 28 ? ? 72.54  -35.45 
3 1 ASP A 81 ? ? -65.94 0.65   
# 
_pdbx_distant_solvent_atoms.id                                1 
_pdbx_distant_solvent_atoms.PDB_model_num                     1 
_pdbx_distant_solvent_atoms.auth_atom_id                      O 
_pdbx_distant_solvent_atoms.label_alt_id                      ? 
_pdbx_distant_solvent_atoms.auth_asym_id                      A 
_pdbx_distant_solvent_atoms.auth_comp_id                      HOH 
_pdbx_distant_solvent_atoms.auth_seq_id                       375 
_pdbx_distant_solvent_atoms.PDB_ins_code                      ? 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance   7.50 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance          . 
# 
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 GLY 0 ? A GLY 1 
2 1 Y 1 A MET 1 ? A MET 2 
3 1 Y 1 A THR 2 ? A THR 3 
# 
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 
A1H7Q C1   C N N 1   
A1H7Q C2   C N N 2   
A1H7Q C3   C N N 3   
A1H7Q C7   C Y N 4   
A1H7Q C8   C Y N 5   
A1H7Q C9   C Y N 6   
A1H7Q C10  C Y N 7   
A1H7Q C11  C Y N 8   
A1H7Q C12  C Y N 9   
A1H7Q O    O N N 10  
A1H7Q C    C N N 11  
A1H7Q N    N N N 12  
A1H7Q C6   C N R 13  
A1H7Q C5   C N N 14  
A1H7Q C4   C N N 15  
A1H7Q H1   H N N 16  
A1H7Q H2   H N N 17  
A1H7Q H3   H N N 18  
A1H7Q H4   H N N 19  
A1H7Q H5   H N N 20  
A1H7Q H6   H N N 21  
A1H7Q H7   H N N 22  
A1H7Q H8   H N N 23  
A1H7Q H9   H N N 24  
A1H7Q H10  H N N 25  
A1H7Q H11  H N N 26  
A1H7Q H12  H N N 27  
A1H7Q H13  H N N 28  
A1H7Q H14  H N N 29  
A1H7Q H15  H N N 30  
A1H7Q H16  H N N 31  
A1H7Q H17  H N N 32  
ALA   N    N N N 33  
ALA   CA   C N S 34  
ALA   C    C N N 35  
ALA   O    O N N 36  
ALA   CB   C N N 37  
ALA   OXT  O N N 38  
ALA   H    H N N 39  
ALA   H2   H N N 40  
ALA   HA   H N N 41  
ALA   HB1  H N N 42  
ALA   HB2  H N N 43  
ALA   HB3  H N N 44  
ALA   HXT  H N N 45  
ARG   N    N N N 46  
ARG   CA   C N S 47  
ARG   C    C N N 48  
ARG   O    O N N 49  
ARG   CB   C N N 50  
ARG   CG   C N N 51  
ARG   CD   C N N 52  
ARG   NE   N N N 53  
ARG   CZ   C N N 54  
ARG   NH1  N N N 55  
ARG   NH2  N N N 56  
ARG   OXT  O N N 57  
ARG   H    H N N 58  
ARG   H2   H N N 59  
ARG   HA   H N N 60  
ARG   HB2  H N N 61  
ARG   HB3  H N N 62  
ARG   HG2  H N N 63  
ARG   HG3  H N N 64  
ARG   HD2  H N N 65  
ARG   HD3  H N N 66  
ARG   HE   H N N 67  
ARG   HH11 H N N 68  
ARG   HH12 H N N 69  
ARG   HH21 H N N 70  
ARG   HH22 H N N 71  
ARG   HXT  H N N 72  
ASN   N    N N N 73  
ASN   CA   C N S 74  
ASN   C    C N N 75  
ASN   O    O N N 76  
ASN   CB   C N N 77  
ASN   CG   C N N 78  
ASN   OD1  O N N 79  
ASN   ND2  N N N 80  
ASN   OXT  O N N 81  
ASN   H    H N N 82  
ASN   H2   H N N 83  
ASN   HA   H N N 84  
ASN   HB2  H N N 85  
ASN   HB3  H N N 86  
ASN   HD21 H N N 87  
ASN   HD22 H N N 88  
ASN   HXT  H N N 89  
ASP   N    N N N 90  
ASP   CA   C N S 91  
ASP   C    C N N 92  
ASP   O    O N N 93  
ASP   CB   C N N 94  
ASP   CG   C N N 95  
ASP   OD1  O N N 96  
ASP   OD2  O N N 97  
ASP   OXT  O N N 98  
ASP   H    H N N 99  
ASP   H2   H N N 100 
ASP   HA   H N N 101 
ASP   HB2  H N N 102 
ASP   HB3  H N N 103 
ASP   HD2  H N N 104 
ASP   HXT  H N N 105 
CYS   N    N N N 106 
CYS   CA   C N R 107 
CYS   C    C N N 108 
CYS   O    O N N 109 
CYS   CB   C N N 110 
CYS   SG   S N N 111 
CYS   OXT  O N N 112 
CYS   H    H N N 113 
CYS   H2   H N N 114 
CYS   HA   H N N 115 
CYS   HB2  H N N 116 
CYS   HB3  H N N 117 
CYS   HG   H N N 118 
CYS   HXT  H N N 119 
GLN   N    N N N 120 
GLN   CA   C N S 121 
GLN   C    C N N 122 
GLN   O    O N N 123 
GLN   CB   C N N 124 
GLN   CG   C N N 125 
GLN   CD   C N N 126 
GLN   OE1  O N N 127 
GLN   NE2  N N N 128 
GLN   OXT  O N N 129 
GLN   H    H N N 130 
GLN   H2   H N N 131 
GLN   HA   H N N 132 
GLN   HB2  H N N 133 
GLN   HB3  H N N 134 
GLN   HG2  H N N 135 
GLN   HG3  H N N 136 
GLN   HE21 H N N 137 
GLN   HE22 H N N 138 
GLN   HXT  H N N 139 
GLU   N    N N N 140 
GLU   CA   C N S 141 
GLU   C    C N N 142 
GLU   O    O N N 143 
GLU   CB   C N N 144 
GLU   CG   C N N 145 
GLU   CD   C N N 146 
GLU   OE1  O N N 147 
GLU   OE2  O N N 148 
GLU   OXT  O N N 149 
GLU   H    H N N 150 
GLU   H2   H N N 151 
GLU   HA   H N N 152 
GLU   HB2  H N N 153 
GLU   HB3  H N N 154 
GLU   HG2  H N N 155 
GLU   HG3  H N N 156 
GLU   HE2  H N N 157 
GLU   HXT  H N N 158 
GLY   N    N N N 159 
GLY   CA   C N N 160 
GLY   C    C N N 161 
GLY   O    O N N 162 
GLY   OXT  O N N 163 
GLY   H    H N N 164 
GLY   H2   H N N 165 
GLY   HA2  H N N 166 
GLY   HA3  H N N 167 
GLY   HXT  H N N 168 
HOH   O    O N N 169 
HOH   H1   H N N 170 
HOH   H2   H N N 171 
ILE   N    N N N 172 
ILE   CA   C N S 173 
ILE   C    C N N 174 
ILE   O    O N N 175 
ILE   CB   C N S 176 
ILE   CG1  C N N 177 
ILE   CG2  C N N 178 
ILE   CD1  C N N 179 
ILE   OXT  O N N 180 
ILE   H    H N N 181 
ILE   H2   H N N 182 
ILE   HA   H N N 183 
ILE   HB   H N N 184 
ILE   HG12 H N N 185 
ILE   HG13 H N N 186 
ILE   HG21 H N N 187 
ILE   HG22 H N N 188 
ILE   HG23 H N N 189 
ILE   HD11 H N N 190 
ILE   HD12 H N N 191 
ILE   HD13 H N N 192 
ILE   HXT  H N N 193 
LEU   N    N N N 194 
LEU   CA   C N S 195 
LEU   C    C N N 196 
LEU   O    O N N 197 
LEU   CB   C N N 198 
LEU   CG   C N N 199 
LEU   CD1  C N N 200 
LEU   CD2  C N N 201 
LEU   OXT  O N N 202 
LEU   H    H N N 203 
LEU   H2   H N N 204 
LEU   HA   H N N 205 
LEU   HB2  H N N 206 
LEU   HB3  H N N 207 
LEU   HG   H N N 208 
LEU   HD11 H N N 209 
LEU   HD12 H N N 210 
LEU   HD13 H N N 211 
LEU   HD21 H N N 212 
LEU   HD22 H N N 213 
LEU   HD23 H N N 214 
LEU   HXT  H N N 215 
LYS   N    N N N 216 
LYS   CA   C N S 217 
LYS   C    C N N 218 
LYS   O    O N N 219 
LYS   CB   C N N 220 
LYS   CG   C N N 221 
LYS   CD   C N N 222 
LYS   CE   C N N 223 
LYS   NZ   N N N 224 
LYS   OXT  O N N 225 
LYS   H    H N N 226 
LYS   H2   H N N 227 
LYS   HA   H N N 228 
LYS   HB2  H N N 229 
LYS   HB3  H N N 230 
LYS   HG2  H N N 231 
LYS   HG3  H N N 232 
LYS   HD2  H N N 233 
LYS   HD3  H N N 234 
LYS   HE2  H N N 235 
LYS   HE3  H N N 236 
LYS   HZ1  H N N 237 
LYS   HZ2  H N N 238 
LYS   HZ3  H N N 239 
LYS   HXT  H N N 240 
MET   N    N N N 241 
MET   CA   C N S 242 
MET   C    C N N 243 
MET   O    O N N 244 
MET   CB   C N N 245 
MET   CG   C N N 246 
MET   SD   S N N 247 
MET   CE   C N N 248 
MET   OXT  O N N 249 
MET   H    H N N 250 
MET   H2   H N N 251 
MET   HA   H N N 252 
MET   HB2  H N N 253 
MET   HB3  H N N 254 
MET   HG2  H N N 255 
MET   HG3  H N N 256 
MET   HE1  H N N 257 
MET   HE2  H N N 258 
MET   HE3  H N N 259 
MET   HXT  H N N 260 
PHE   N    N N N 261 
PHE   CA   C N S 262 
PHE   C    C N N 263 
PHE   O    O N N 264 
PHE   CB   C N N 265 
PHE   CG   C Y N 266 
PHE   CD1  C Y N 267 
PHE   CD2  C Y N 268 
PHE   CE1  C Y N 269 
PHE   CE2  C Y N 270 
PHE   CZ   C Y N 271 
PHE   OXT  O N N 272 
PHE   H    H N N 273 
PHE   H2   H N N 274 
PHE   HA   H N N 275 
PHE   HB2  H N N 276 
PHE   HB3  H N N 277 
PHE   HD1  H N N 278 
PHE   HD2  H N N 279 
PHE   HE1  H N N 280 
PHE   HE2  H N N 281 
PHE   HZ   H N N 282 
PHE   HXT  H N N 283 
PRO   N    N N N 284 
PRO   CA   C N S 285 
PRO   C    C N N 286 
PRO   O    O N N 287 
PRO   CB   C N N 288 
PRO   CG   C N N 289 
PRO   CD   C N N 290 
PRO   OXT  O N N 291 
PRO   H    H N N 292 
PRO   HA   H N N 293 
PRO   HB2  H N N 294 
PRO   HB3  H N N 295 
PRO   HG2  H N N 296 
PRO   HG3  H N N 297 
PRO   HD2  H N N 298 
PRO   HD3  H N N 299 
PRO   HXT  H N N 300 
SER   N    N N N 301 
SER   CA   C N S 302 
SER   C    C N N 303 
SER   O    O N N 304 
SER   CB   C N N 305 
SER   OG   O N N 306 
SER   OXT  O N N 307 
SER   H    H N N 308 
SER   H2   H N N 309 
SER   HA   H N N 310 
SER   HB2  H N N 311 
SER   HB3  H N N 312 
SER   HG   H N N 313 
SER   HXT  H N N 314 
THR   N    N N N 315 
THR   CA   C N S 316 
THR   C    C N N 317 
THR   O    O N N 318 
THR   CB   C N R 319 
THR   OG1  O N N 320 
THR   CG2  C N N 321 
THR   OXT  O N N 322 
THR   H    H N N 323 
THR   H2   H N N 324 
THR   HA   H N N 325 
THR   HB   H N N 326 
THR   HG1  H N N 327 
THR   HG21 H N N 328 
THR   HG22 H N N 329 
THR   HG23 H N N 330 
THR   HXT  H N N 331 
TRP   N    N N N 332 
TRP   CA   C N S 333 
TRP   C    C N N 334 
TRP   O    O N N 335 
TRP   CB   C N N 336 
TRP   CG   C Y N 337 
TRP   CD1  C Y N 338 
TRP   CD2  C Y N 339 
TRP   NE1  N Y N 340 
TRP   CE2  C Y N 341 
TRP   CE3  C Y N 342 
TRP   CZ2  C Y N 343 
TRP   CZ3  C Y N 344 
TRP   CH2  C Y N 345 
TRP   OXT  O N N 346 
TRP   H    H N N 347 
TRP   H2   H N N 348 
TRP   HA   H N N 349 
TRP   HB2  H N N 350 
TRP   HB3  H N N 351 
TRP   HD1  H N N 352 
TRP   HE1  H N N 353 
TRP   HE3  H N N 354 
TRP   HZ2  H N N 355 
TRP   HZ3  H N N 356 
TRP   HH2  H N N 357 
TRP   HXT  H N N 358 
TYR   N    N N N 359 
TYR   CA   C N S 360 
TYR   C    C N N 361 
TYR   O    O N N 362 
TYR   CB   C N N 363 
TYR   CG   C Y N 364 
TYR   CD1  C Y N 365 
TYR   CD2  C Y N 366 
TYR   CE1  C Y N 367 
TYR   CE2  C Y N 368 
TYR   CZ   C Y N 369 
TYR   OH   O N N 370 
TYR   OXT  O N N 371 
TYR   H    H N N 372 
TYR   H2   H N N 373 
TYR   HA   H N N 374 
TYR   HB2  H N N 375 
TYR   HB3  H N N 376 
TYR   HD1  H N N 377 
TYR   HD2  H N N 378 
TYR   HE1  H N N 379 
TYR   HE2  H N N 380 
TYR   HH   H N N 381 
TYR   HXT  H N N 382 
VAL   N    N N N 383 
VAL   CA   C N S 384 
VAL   C    C N N 385 
VAL   O    O N N 386 
VAL   CB   C N N 387 
VAL   CG1  C N N 388 
VAL   CG2  C N N 389 
VAL   OXT  O N N 390 
VAL   H    H N N 391 
VAL   H2   H N N 392 
VAL   HA   H N N 393 
VAL   HB   H N N 394 
VAL   HG11 H N N 395 
VAL   HG12 H N N 396 
VAL   HG13 H N N 397 
VAL   HG21 H N N 398 
VAL   HG22 H N N 399 
VAL   HG23 H N N 400 
VAL   HXT  H N N 401 
# 
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 
A1H7Q O   C2   doub N N 1   
A1H7Q C3  N    sing N N 2   
A1H7Q C3  C4   sing N N 3   
A1H7Q C2  N    sing N N 4   
A1H7Q C2  C1   sing N N 5   
A1H7Q C   C1   sing N N 6   
A1H7Q N   C6   sing N N 7   
A1H7Q C11 C12  doub Y N 8   
A1H7Q C11 C10  sing Y N 9   
A1H7Q C12 C7   sing Y N 10  
A1H7Q C4  C5   sing N N 11  
A1H7Q C10 C9   doub Y N 12  
A1H7Q C7  C6   sing N N 13  
A1H7Q C7  C8   doub Y N 14  
A1H7Q C6  C5   sing N N 15  
A1H7Q C9  C8   sing Y N 16  
A1H7Q C1  H1   sing N N 17  
A1H7Q C1  H2   sing N N 18  
A1H7Q C3  H3   sing N N 19  
A1H7Q C3  H4   sing N N 20  
A1H7Q C8  H5   sing N N 21  
A1H7Q C9  H6   sing N N 22  
A1H7Q C10 H7   sing N N 23  
A1H7Q C11 H8   sing N N 24  
A1H7Q C12 H9   sing N N 25  
A1H7Q C   H10  sing N N 26  
A1H7Q C   H11  sing N N 27  
A1H7Q C   H12  sing N N 28  
A1H7Q C6  H13  sing N N 29  
A1H7Q C5  H14  sing N N 30  
A1H7Q C5  H15  sing N N 31  
A1H7Q C4  H16  sing N N 32  
A1H7Q C4  H17  sing N N 33  
ALA   N   CA   sing N N 34  
ALA   N   H    sing N N 35  
ALA   N   H2   sing N N 36  
ALA   CA  C    sing N N 37  
ALA   CA  CB   sing N N 38  
ALA   CA  HA   sing N N 39  
ALA   C   O    doub N N 40  
ALA   C   OXT  sing N N 41  
ALA   CB  HB1  sing N N 42  
ALA   CB  HB2  sing N N 43  
ALA   CB  HB3  sing N N 44  
ALA   OXT HXT  sing N N 45  
ARG   N   CA   sing N N 46  
ARG   N   H    sing N N 47  
ARG   N   H2   sing N N 48  
ARG   CA  C    sing N N 49  
ARG   CA  CB   sing N N 50  
ARG   CA  HA   sing N N 51  
ARG   C   O    doub N N 52  
ARG   C   OXT  sing N N 53  
ARG   CB  CG   sing N N 54  
ARG   CB  HB2  sing N N 55  
ARG   CB  HB3  sing N N 56  
ARG   CG  CD   sing N N 57  
ARG   CG  HG2  sing N N 58  
ARG   CG  HG3  sing N N 59  
ARG   CD  NE   sing N N 60  
ARG   CD  HD2  sing N N 61  
ARG   CD  HD3  sing N N 62  
ARG   NE  CZ   sing N N 63  
ARG   NE  HE   sing N N 64  
ARG   CZ  NH1  sing N N 65  
ARG   CZ  NH2  doub N N 66  
ARG   NH1 HH11 sing N N 67  
ARG   NH1 HH12 sing N N 68  
ARG   NH2 HH21 sing N N 69  
ARG   NH2 HH22 sing N N 70  
ARG   OXT HXT  sing N N 71  
ASN   N   CA   sing N N 72  
ASN   N   H    sing N N 73  
ASN   N   H2   sing N N 74  
ASN   CA  C    sing N N 75  
ASN   CA  CB   sing N N 76  
ASN   CA  HA   sing N N 77  
ASN   C   O    doub N N 78  
ASN   C   OXT  sing N N 79  
ASN   CB  CG   sing N N 80  
ASN   CB  HB2  sing N N 81  
ASN   CB  HB3  sing N N 82  
ASN   CG  OD1  doub N N 83  
ASN   CG  ND2  sing N N 84  
ASN   ND2 HD21 sing N N 85  
ASN   ND2 HD22 sing N N 86  
ASN   OXT HXT  sing N N 87  
ASP   N   CA   sing N N 88  
ASP   N   H    sing N N 89  
ASP   N   H2   sing N N 90  
ASP   CA  C    sing N N 91  
ASP   CA  CB   sing N N 92  
ASP   CA  HA   sing N N 93  
ASP   C   O    doub N N 94  
ASP   C   OXT  sing N N 95  
ASP   CB  CG   sing N N 96  
ASP   CB  HB2  sing N N 97  
ASP   CB  HB3  sing N N 98  
ASP   CG  OD1  doub N N 99  
ASP   CG  OD2  sing N N 100 
ASP   OD2 HD2  sing N N 101 
ASP   OXT HXT  sing N N 102 
CYS   N   CA   sing N N 103 
CYS   N   H    sing N N 104 
CYS   N   H2   sing N N 105 
CYS   CA  C    sing N N 106 
CYS   CA  CB   sing N N 107 
CYS   CA  HA   sing N N 108 
CYS   C   O    doub N N 109 
CYS   C   OXT  sing N N 110 
CYS   CB  SG   sing N N 111 
CYS   CB  HB2  sing N N 112 
CYS   CB  HB3  sing N N 113 
CYS   SG  HG   sing N N 114 
CYS   OXT HXT  sing N N 115 
GLN   N   CA   sing N N 116 
GLN   N   H    sing N N 117 
GLN   N   H2   sing N N 118 
GLN   CA  C    sing N N 119 
GLN   CA  CB   sing N N 120 
GLN   CA  HA   sing N N 121 
GLN   C   O    doub N N 122 
GLN   C   OXT  sing N N 123 
GLN   CB  CG   sing N N 124 
GLN   CB  HB2  sing N N 125 
GLN   CB  HB3  sing N N 126 
GLN   CG  CD   sing N N 127 
GLN   CG  HG2  sing N N 128 
GLN   CG  HG3  sing N N 129 
GLN   CD  OE1  doub N N 130 
GLN   CD  NE2  sing N N 131 
GLN   NE2 HE21 sing N N 132 
GLN   NE2 HE22 sing N N 133 
GLN   OXT HXT  sing N N 134 
GLU   N   CA   sing N N 135 
GLU   N   H    sing N N 136 
GLU   N   H2   sing N N 137 
GLU   CA  C    sing N N 138 
GLU   CA  CB   sing N N 139 
GLU   CA  HA   sing N N 140 
GLU   C   O    doub N N 141 
GLU   C   OXT  sing N N 142 
GLU   CB  CG   sing N N 143 
GLU   CB  HB2  sing N N 144 
GLU   CB  HB3  sing N N 145 
GLU   CG  CD   sing N N 146 
GLU   CG  HG2  sing N N 147 
GLU   CG  HG3  sing N N 148 
GLU   CD  OE1  doub N N 149 
GLU   CD  OE2  sing N N 150 
GLU   OE2 HE2  sing N N 151 
GLU   OXT HXT  sing N N 152 
GLY   N   CA   sing N N 153 
GLY   N   H    sing N N 154 
GLY   N   H2   sing N N 155 
GLY   CA  C    sing N N 156 
GLY   CA  HA2  sing N N 157 
GLY   CA  HA3  sing N N 158 
GLY   C   O    doub N N 159 
GLY   C   OXT  sing N N 160 
GLY   OXT HXT  sing N N 161 
HOH   O   H1   sing N N 162 
HOH   O   H2   sing N N 163 
ILE   N   CA   sing N N 164 
ILE   N   H    sing N N 165 
ILE   N   H2   sing N N 166 
ILE   CA  C    sing N N 167 
ILE   CA  CB   sing N N 168 
ILE   CA  HA   sing N N 169 
ILE   C   O    doub N N 170 
ILE   C   OXT  sing N N 171 
ILE   CB  CG1  sing N N 172 
ILE   CB  CG2  sing N N 173 
ILE   CB  HB   sing N N 174 
ILE   CG1 CD1  sing N N 175 
ILE   CG1 HG12 sing N N 176 
ILE   CG1 HG13 sing N N 177 
ILE   CG2 HG21 sing N N 178 
ILE   CG2 HG22 sing N N 179 
ILE   CG2 HG23 sing N N 180 
ILE   CD1 HD11 sing N N 181 
ILE   CD1 HD12 sing N N 182 
ILE   CD1 HD13 sing N N 183 
ILE   OXT HXT  sing N N 184 
LEU   N   CA   sing N N 185 
LEU   N   H    sing N N 186 
LEU   N   H2   sing N N 187 
LEU   CA  C    sing N N 188 
LEU   CA  CB   sing N N 189 
LEU   CA  HA   sing N N 190 
LEU   C   O    doub N N 191 
LEU   C   OXT  sing N N 192 
LEU   CB  CG   sing N N 193 
LEU   CB  HB2  sing N N 194 
LEU   CB  HB3  sing N N 195 
LEU   CG  CD1  sing N N 196 
LEU   CG  CD2  sing N N 197 
LEU   CG  HG   sing N N 198 
LEU   CD1 HD11 sing N N 199 
LEU   CD1 HD12 sing N N 200 
LEU   CD1 HD13 sing N N 201 
LEU   CD2 HD21 sing N N 202 
LEU   CD2 HD22 sing N N 203 
LEU   CD2 HD23 sing N N 204 
LEU   OXT HXT  sing N N 205 
LYS   N   CA   sing N N 206 
LYS   N   H    sing N N 207 
LYS   N   H2   sing N N 208 
LYS   CA  C    sing N N 209 
LYS   CA  CB   sing N N 210 
LYS   CA  HA   sing N N 211 
LYS   C   O    doub N N 212 
LYS   C   OXT  sing N N 213 
LYS   CB  CG   sing N N 214 
LYS   CB  HB2  sing N N 215 
LYS   CB  HB3  sing N N 216 
LYS   CG  CD   sing N N 217 
LYS   CG  HG2  sing N N 218 
LYS   CG  HG3  sing N N 219 
LYS   CD  CE   sing N N 220 
LYS   CD  HD2  sing N N 221 
LYS   CD  HD3  sing N N 222 
LYS   CE  NZ   sing N N 223 
LYS   CE  HE2  sing N N 224 
LYS   CE  HE3  sing N N 225 
LYS   NZ  HZ1  sing N N 226 
LYS   NZ  HZ2  sing N N 227 
LYS   NZ  HZ3  sing N N 228 
LYS   OXT HXT  sing N N 229 
MET   N   CA   sing N N 230 
MET   N   H    sing N N 231 
MET   N   H2   sing N N 232 
MET   CA  C    sing N N 233 
MET   CA  CB   sing N N 234 
MET   CA  HA   sing N N 235 
MET   C   O    doub N N 236 
MET   C   OXT  sing N N 237 
MET   CB  CG   sing N N 238 
MET   CB  HB2  sing N N 239 
MET   CB  HB3  sing N N 240 
MET   CG  SD   sing N N 241 
MET   CG  HG2  sing N N 242 
MET   CG  HG3  sing N N 243 
MET   SD  CE   sing N N 244 
MET   CE  HE1  sing N N 245 
MET   CE  HE2  sing N N 246 
MET   CE  HE3  sing N N 247 
MET   OXT HXT  sing N N 248 
PHE   N   CA   sing N N 249 
PHE   N   H    sing N N 250 
PHE   N   H2   sing N N 251 
PHE   CA  C    sing N N 252 
PHE   CA  CB   sing N N 253 
PHE   CA  HA   sing N N 254 
PHE   C   O    doub N N 255 
PHE   C   OXT  sing N N 256 
PHE   CB  CG   sing N N 257 
PHE   CB  HB2  sing N N 258 
PHE   CB  HB3  sing N N 259 
PHE   CG  CD1  doub Y N 260 
PHE   CG  CD2  sing Y N 261 
PHE   CD1 CE1  sing Y N 262 
PHE   CD1 HD1  sing N N 263 
PHE   CD2 CE2  doub Y N 264 
PHE   CD2 HD2  sing N N 265 
PHE   CE1 CZ   doub Y N 266 
PHE   CE1 HE1  sing N N 267 
PHE   CE2 CZ   sing Y N 268 
PHE   CE2 HE2  sing N N 269 
PHE   CZ  HZ   sing N N 270 
PHE   OXT HXT  sing N N 271 
PRO   N   CA   sing N N 272 
PRO   N   CD   sing N N 273 
PRO   N   H    sing N N 274 
PRO   CA  C    sing N N 275 
PRO   CA  CB   sing N N 276 
PRO   CA  HA   sing N N 277 
PRO   C   O    doub N N 278 
PRO   C   OXT  sing N N 279 
PRO   CB  CG   sing N N 280 
PRO   CB  HB2  sing N N 281 
PRO   CB  HB3  sing N N 282 
PRO   CG  CD   sing N N 283 
PRO   CG  HG2  sing N N 284 
PRO   CG  HG3  sing N N 285 
PRO   CD  HD2  sing N N 286 
PRO   CD  HD3  sing N N 287 
PRO   OXT HXT  sing N N 288 
SER   N   CA   sing N N 289 
SER   N   H    sing N N 290 
SER   N   H2   sing N N 291 
SER   CA  C    sing N N 292 
SER   CA  CB   sing N N 293 
SER   CA  HA   sing N N 294 
SER   C   O    doub N N 295 
SER   C   OXT  sing N N 296 
SER   CB  OG   sing N N 297 
SER   CB  HB2  sing N N 298 
SER   CB  HB3  sing N N 299 
SER   OG  HG   sing N N 300 
SER   OXT HXT  sing N N 301 
THR   N   CA   sing N N 302 
THR   N   H    sing N N 303 
THR   N   H2   sing N N 304 
THR   CA  C    sing N N 305 
THR   CA  CB   sing N N 306 
THR   CA  HA   sing N N 307 
THR   C   O    doub N N 308 
THR   C   OXT  sing N N 309 
THR   CB  OG1  sing N N 310 
THR   CB  CG2  sing N N 311 
THR   CB  HB   sing N N 312 
THR   OG1 HG1  sing N N 313 
THR   CG2 HG21 sing N N 314 
THR   CG2 HG22 sing N N 315 
THR   CG2 HG23 sing N N 316 
THR   OXT HXT  sing N N 317 
TRP   N   CA   sing N N 318 
TRP   N   H    sing N N 319 
TRP   N   H2   sing N N 320 
TRP   CA  C    sing N N 321 
TRP   CA  CB   sing N N 322 
TRP   CA  HA   sing N N 323 
TRP   C   O    doub N N 324 
TRP   C   OXT  sing N N 325 
TRP   CB  CG   sing N N 326 
TRP   CB  HB2  sing N N 327 
TRP   CB  HB3  sing N N 328 
TRP   CG  CD1  doub Y N 329 
TRP   CG  CD2  sing Y N 330 
TRP   CD1 NE1  sing Y N 331 
TRP   CD1 HD1  sing N N 332 
TRP   CD2 CE2  doub Y N 333 
TRP   CD2 CE3  sing Y N 334 
TRP   NE1 CE2  sing Y N 335 
TRP   NE1 HE1  sing N N 336 
TRP   CE2 CZ2  sing Y N 337 
TRP   CE3 CZ3  doub Y N 338 
TRP   CE3 HE3  sing N N 339 
TRP   CZ2 CH2  doub Y N 340 
TRP   CZ2 HZ2  sing N N 341 
TRP   CZ3 CH2  sing Y N 342 
TRP   CZ3 HZ3  sing N N 343 
TRP   CH2 HH2  sing N N 344 
TRP   OXT HXT  sing N N 345 
TYR   N   CA   sing N N 346 
TYR   N   H    sing N N 347 
TYR   N   H2   sing N N 348 
TYR   CA  C    sing N N 349 
TYR   CA  CB   sing N N 350 
TYR   CA  HA   sing N N 351 
TYR   C   O    doub N N 352 
TYR   C   OXT  sing N N 353 
TYR   CB  CG   sing N N 354 
TYR   CB  HB2  sing N N 355 
TYR   CB  HB3  sing N N 356 
TYR   CG  CD1  doub Y N 357 
TYR   CG  CD2  sing Y N 358 
TYR   CD1 CE1  sing Y N 359 
TYR   CD1 HD1  sing N N 360 
TYR   CD2 CE2  doub Y N 361 
TYR   CD2 HD2  sing N N 362 
TYR   CE1 CZ   doub Y N 363 
TYR   CE1 HE1  sing N N 364 
TYR   CE2 CZ   sing Y N 365 
TYR   CE2 HE2  sing N N 366 
TYR   CZ  OH   sing N N 367 
TYR   OH  HH   sing N N 368 
TYR   OXT HXT  sing N N 369 
VAL   N   CA   sing N N 370 
VAL   N   H    sing N N 371 
VAL   N   H2   sing N N 372 
VAL   CA  C    sing N N 373 
VAL   CA  CB   sing N N 374 
VAL   CA  HA   sing N N 375 
VAL   C   O    doub N N 376 
VAL   C   OXT  sing N N 377 
VAL   CB  CG1  sing N N 378 
VAL   CB  CG2  sing N N 379 
VAL   CB  HB   sing N N 380 
VAL   CG1 HG11 sing N N 381 
VAL   CG1 HG12 sing N N 382 
VAL   CG1 HG13 sing N N 383 
VAL   CG2 HG21 sing N N 384 
VAL   CG2 HG22 sing N N 385 
VAL   CG2 HG23 sing N N 386 
VAL   OXT HXT  sing N N 387 
# 
_pdbx_audit_support.funding_organization   'Not funded' 
_pdbx_audit_support.country                ? 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   5UUK 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9EW8 
_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]   0.025056 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.005262 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.023277 
_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]   0.023774 
_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   . ASP   A 1 4   ? 19.563 -4.029  22.589  1.00 37.08 ? 3   ASP   A N   1 
ATOM   2    C CA  . ASP   A 1 4   ? 19.375 -3.663  21.189  1.00 37.14 ? 3   ASP   A CA  1 
ATOM   3    C C   . ASP   A 1 4   ? 17.879 -3.404  20.849  1.00 37.69 ? 3   ASP   A C   1 
ATOM   4    O O   . ASP   A 1 4   ? 17.562 -3.058  19.704  1.00 38.50 ? 3   ASP   A O   1 
ATOM   5    C CB  . ASP   A 1 4   ? 20.068 -4.658  20.234  1.00 37.18 ? 3   ASP   A CB  1 
ATOM   6    C CG  . ASP   A 1 4   ? 19.445 -6.035  20.085  1.00 39.09 ? 3   ASP   A CG  1 
ATOM   7    O OD1 . ASP   A 1 4   ? 18.208 -6.142  20.188  1.00 40.20 ? 3   ASP   A OD1 1 
ATOM   8    O OD2 . ASP   A 1 4   ? 20.191 -7.003  19.789  1.00 38.89 ? 3   ASP   A OD2 1 
ATOM   9    N N   . CYS   A 1 5   ? 16.976 -3.520  21.835  1.00 37.39 ? 4   CYS   A N   1 
ATOM   10   C CA  . CYS   A 1 5   ? 15.579 -3.158  21.610  1.00 37.81 ? 4   CYS   A CA  1 
ATOM   11   C C   . CYS   A 1 5   ? 15.333 -1.684  21.938  1.00 36.49 ? 4   CYS   A C   1 
ATOM   12   O O   . CYS   A 1 5   ? 14.187 -1.284  21.856  1.00 37.98 ? 4   CYS   A O   1 
ATOM   13   C CB  . CYS   A 1 5   ? 14.599 -4.068  22.354  1.00 39.68 ? 4   CYS   A CB  1 
ATOM   14   S SG  . CYS   A 1 5   ? 14.429 -3.711  24.133  1.00 43.82 ? 4   CYS   A SG  1 
ATOM   15   N N   . GLU   A 1 6   ? 16.360 -0.876  22.312  1.00 33.31 ? 5   GLU   A N   1 
ATOM   16   C CA  . GLU   A 1 6   ? 16.134 0.530   22.622  1.00 29.93 ? 5   GLU   A CA  1 
ATOM   17   C C   . GLU   A 1 6   ? 16.111 1.407   21.348  1.00 25.08 ? 5   GLU   A C   1 
ATOM   18   O O   . GLU   A 1 6   ? 16.491 0.955   20.259  1.00 23.18 ? 5   GLU   A O   1 
ATOM   19   C CB  . GLU   A 1 6   ? 17.105 1.056   23.690  1.00 32.36 ? 5   GLU   A CB  1 
ATOM   20   C CG  . GLU   A 1 6   ? 16.758 0.557   25.097  1.00 39.68 ? 5   GLU   A CG  1 
ATOM   21   C CD  . GLU   A 1 6   ? 17.886 0.631   26.111  1.00 49.04 ? 5   GLU   A CD  1 
ATOM   22   O OE1 . GLU   A 1 6   ? 18.980 1.128   25.756  1.00 50.06 ? 5   GLU   A OE1 1 
ATOM   23   O OE2 . GLU   A 1 6   ? 17.679 0.187   27.264  1.00 52.36 ? 5   GLU   A OE2 1 
ATOM   24   N N   . PHE   A 1 7   ? 15.588 2.617   21.477  1.00 23.36 ? 6   PHE   A N   1 
ATOM   25   C CA  . PHE   A 1 7   ? 15.383 3.510   20.332  1.00 22.59 ? 6   PHE   A CA  1 
ATOM   26   C C   . PHE   A 1 7   ? 16.597 3.740   19.491  1.00 21.66 ? 6   PHE   A C   1 
ATOM   27   O O   . PHE   A 1 7   ? 16.484 3.595   18.282  1.00 22.04 ? 6   PHE   A O   1 
ATOM   28   C CB  . PHE   A 1 7   ? 14.782 4.867   20.763  1.00 21.93 ? 6   PHE   A CB  1 
ATOM   29   C CG  . PHE   A 1 7   ? 14.078 5.568   19.634  1.00 21.35 ? 6   PHE   A CG  1 
ATOM   30   C CD1 . PHE   A 1 7   ? 14.787 6.316   18.713  1.00 21.46 ? 6   PHE   A CD1 1 
ATOM   31   C CD2 . PHE   A 1 7   ? 12.704 5.502   19.509  1.00 22.53 ? 6   PHE   A CD2 1 
ATOM   32   C CE1 . PHE   A 1 7   ? 14.136 6.998   17.697  1.00 22.72 ? 6   PHE   A CE1 1 
ATOM   33   C CE2 . PHE   A 1 7   ? 12.063 6.174   18.481  1.00 22.88 ? 6   PHE   A CE2 1 
ATOM   34   C CZ  . PHE   A 1 7   ? 12.781 6.901   17.578  1.00 22.47 ? 6   PHE   A CZ  1 
ATOM   35   N N   . GLY   A 1 8   ? 17.744 4.044   20.103  1.00 20.18 ? 7   GLY   A N   1 
ATOM   36   C CA  . GLY   A 1 8   ? 18.972 4.331   19.360  1.00 19.98 ? 7   GLY   A CA  1 
ATOM   37   C C   . GLY   A 1 8   ? 19.400 3.259   18.362  1.00 19.68 ? 7   GLY   A C   1 
ATOM   38   O O   . GLY   A 1 8   ? 19.748 3.565   17.205  1.00 19.86 ? 7   GLY   A O   1 
ATOM   39   N N   . TYR   A 1 9   ? 19.357 2.003   18.792  1.00 18.60 ? 8   TYR   A N   1 
ATOM   40   C CA  . TYR   A 1 9   ? 19.704 0.865   17.957  1.00 18.81 ? 8   TYR   A CA  1 
ATOM   41   C C   . TYR   A 1 9   ? 18.715 0.726   16.763  1.00 17.18 ? 8   TYR   A C   1 
ATOM   42   O O   . TYR   A 1 9   ? 19.156 0.504   15.635  1.00 17.88 ? 8   TYR   A O   1 
ATOM   43   C CB  . TYR   A 1 9   ? 19.682 -0.420  18.832  1.00 21.05 ? 8   TYR   A CB  1 
ATOM   44   C CG  . TYR   A 1 9   ? 20.426 -1.553  18.159  1.00 23.84 ? 8   TYR   A CG  1 
ATOM   45   C CD1 . TYR   A 1 9   ? 21.802 -1.691  18.305  1.00 26.43 ? 8   TYR   A CD1 1 
ATOM   46   C CD2 . TYR   A 1 9   ? 19.781 -2.399  17.268  1.00 23.59 ? 8   TYR   A CD2 1 
ATOM   47   C CE1 . TYR   A 1 9   ? 22.500 -2.695  17.635  1.00 27.67 ? 8   TYR   A CE1 1 
ATOM   48   C CE2 . TYR   A 1 9   ? 20.457 -3.431  16.638  1.00 25.46 ? 8   TYR   A CE2 1 
ATOM   49   C CZ  . TYR   A 1 9   ? 21.818 -3.558  16.797  1.00 27.52 ? 8   TYR   A CZ  1 
ATOM   50   O OH  . TYR   A 1 9   ? 22.480 -4.557  16.141  1.00 28.97 ? 8   TYR   A OH  1 
ATOM   51   N N   . ILE   A 1 10  ? 17.407 0.783   17.025  1.00 16.49 ? 9   ILE   A N   1 
ATOM   52   C CA  . ILE   A 1 10  ? 16.382 0.580   15.994  1.00 15.60 ? 9   ILE   A CA  1 
ATOM   53   C C   . ILE   A 1 10  ? 16.414 1.761   15.019  1.00 15.17 ? 9   ILE   A C   1 
ATOM   54   O O   . ILE   A 1 10  ? 16.277 1.579   13.811  1.00 15.77 ? 9   ILE   A O   1 
ATOM   55   C CB  . ILE   A 1 10  ? 14.980 0.449   16.659  1.00 17.43 ? 9   ILE   A CB  1 
ATOM   56   C CG1 . ILE   A 1 10  ? 14.882 -0.868  17.446  1.00 20.51 ? 9   ILE   A CG1 1 
ATOM   57   C CG2 . ILE   A 1 10  ? 13.864 0.508   15.636  1.00 17.28 ? 9   ILE   A CG2 1 
ATOM   58   C CD1 . ILE   A 1 10  ? 13.670 -0.985  18.330  1.00 23.41 ? 9   ILE   A CD1 1 
ATOM   59   N N   . TYR   A 1 11  ? 16.644 2.989   15.536  1.00 15.22 ? 10  TYR   A N   1 
ATOM   60   C CA  . TYR   A 1 11  ? 16.742 4.171   14.676  1.00 16.72 ? 10  TYR   A CA  1 
ATOM   61   C C   . TYR   A 1 11  ? 17.904 4.007   13.729  1.00 16.50 ? 10  TYR   A C   1 
ATOM   62   O O   . TYR   A 1 11  ? 17.750 4.300   12.546  1.00 17.01 ? 10  TYR   A O   1 
ATOM   63   C CB  . TYR   A 1 11  ? 16.910 5.449   15.538  1.00 18.06 ? 10  TYR   A CB  1 
ATOM   64   C CG  . TYR   A 1 11  ? 17.176 6.672   14.718  1.00 21.62 ? 10  TYR   A CG  1 
ATOM   65   C CD1 . TYR   A 1 11  ? 16.142 7.330   14.078  1.00 24.20 ? 10  TYR   A CD1 1 
ATOM   66   C CD2 . TYR   A 1 11  ? 18.477 7.063   14.430  1.00 24.74 ? 10  TYR   A CD2 1 
ATOM   67   C CE1 . TYR   A 1 11  ? 16.382 8.446   13.276  1.00 26.80 ? 10  TYR   A CE1 1 
ATOM   68   C CE2 . TYR   A 1 11  ? 18.736 8.163   13.613  1.00 27.40 ? 10  TYR   A CE2 1 
ATOM   69   C CZ  . TYR   A 1 11  ? 17.681 8.886   13.087  1.00 29.91 ? 10  TYR   A CZ  1 
ATOM   70   O OH  . TYR   A 1 11  ? 17.934 9.914   12.206  1.00 34.23 ? 10  TYR   A OH  1 
ATOM   71   N N   . ARG   A 1 12  ? 19.053 3.534   14.222  1.00 15.18 ? 11  ARG   A N   1 
ATOM   72   C CA  . ARG   A 1 12  ? 20.216 3.335   13.345  1.00 15.47 ? 11  ARG   A CA  1 
ATOM   73   C C   . ARG   A 1 12  ? 19.901 2.266   12.269  1.00 13.99 ? 11  ARG   A C   1 
ATOM   74   O O   . ARG   A 1 12  ? 20.268 2.455   11.124  1.00 14.61 ? 11  ARG   A O   1 
ATOM   75   C CB  . ARG   A 1 12  ? 21.441 2.991   14.176  1.00 19.23 ? 11  ARG   A CB  1 
ATOM   76   C CG  . ARG   A 1 12  ? 22.656 2.622   13.360  1.00 28.18 ? 11  ARG   A CG  1 
ATOM   77   C CD  . ARG   A 1 12  ? 23.214 3.761   12.502  1.00 34.48 ? 11  ARG   A CD  1 
ATOM   78   N NE  . ARG   A 1 12  ? 24.422 3.273   11.814  1.00 42.68 ? 11  ARG   A NE  1 
ATOM   79   C CZ  . ARG   A 1 12  ? 25.653 3.349   12.322  1.00 48.04 ? 11  ARG   A CZ  1 
ATOM   80   N NH1 . ARG   A 1 12  ? 25.863 3.952   13.488  1.00 47.82 ? 11  ARG   A NH1 1 
ATOM   81   N NH2 . ARG   A 1 12  ? 26.685 2.845   11.657  1.00 50.21 ? 11  ARG   A NH2 1 
ATOM   82   N N   . LEU   A 1 13  ? 19.176 1.188   12.613  1.00 12.94 ? 12  LEU   A N   1 
ATOM   83   C CA  . LEU   A 1 13  ? 18.746 0.199   11.604  1.00 13.38 ? 12  LEU   A CA  1 
ATOM   84   C C   . LEU   A 1 13  ? 17.848 0.859   10.552  1.00 14.00 ? 12  LEU   A C   1 
ATOM   85   O O   . LEU   A 1 13  ? 18.053 0.664   9.348   1.00 14.55 ? 12  LEU   A O   1 
ATOM   86   C CB  . LEU   A 1 13  ? 17.990 -0.981  12.226  1.00 13.50 ? 12  LEU   A CB  1 
ATOM   87   C CG  . LEU   A 1 13  ? 18.819 -1.871  13.151  1.00 15.94 ? 12  LEU   A CG  1 
ATOM   88   C CD1 . LEU   A 1 13  ? 17.957 -2.955  13.803  1.00 17.14 ? 12  LEU   A CD1 1 
ATOM   89   C CD2 . LEU   A 1 13  ? 20.001 -2.500  12.403  1.00 19.74 ? 12  LEU   A CD2 1 
ATOM   90   N N   . ALA   A 1 14  ? 16.887 1.671   11.000  1.00 14.68 ? 13  ALA   A N   1 
ATOM   91   C CA  . ALA   A 1 14  ? 15.932 2.273   10.073  1.00 16.50 ? 13  ALA   A CA  1 
ATOM   92   C C   . ALA   A 1 14  ? 16.662 3.286   9.167   1.00 17.33 ? 13  ALA   A C   1 
ATOM   93   O O   . ALA   A 1 14  ? 16.403 3.317   7.967   1.00 18.77 ? 13  ALA   A O   1 
ATOM   94   C CB  . ALA   A 1 14  ? 14.832 2.963   10.843  1.00 16.62 ? 13  ALA   A CB  1 
ATOM   95   N N   . GLN   A 1 15  ? 17.590 4.042   9.732   1.00 16.03 ? 14  GLN   A N   1 
ATOM   96   C CA  . GLN   A 1 15  ? 18.410 5.034   8.977   1.00 17.40 ? 14  GLN   A CA  1 
ATOM   97   C C   . GLN   A 1 15  ? 19.319 4.325   7.986   1.00 16.82 ? 14  GLN   A C   1 
ATOM   98   O O   . GLN   A 1 15  ? 19.410 4.744   6.822   1.00 16.33 ? 14  GLN   A O   1 
ATOM   99   C CB  . GLN   A 1 15  ? 19.318 5.777   9.952   1.00 22.26 ? 14  GLN   A CB  1 
ATOM   100  C CG  . GLN   A 1 15  ? 18.624 6.888   10.637  1.00 31.08 ? 14  GLN   A CG  1 
ATOM   101  C CD  . GLN   A 1 15  ? 19.092 8.166   10.006  1.00 38.29 ? 14  GLN   A CD  1 
ATOM   102  O OE1 . GLN   A 1 15  ? 18.568 8.552   8.980   1.00 42.02 ? 14  GLN   A OE1 1 
ATOM   103  N NE2 . GLN   A 1 15  ? 20.075 8.851   10.590  1.00 34.56 ? 14  GLN   A NE2 1 
ATOM   104  N N   . ASP   A 1 16  ? 20.002 3.245   8.417   1.00 15.79 ? 15  ASP   A N   1 
ATOM   105  C CA  . ASP   A 1 16  ? 20.868 2.473   7.518   1.00 14.90 ? 15  ASP   A CA  1 
ATOM   106  C C   . ASP   A 1 16  ? 20.053 1.946   6.325   1.00 14.63 ? 15  ASP   A C   1 
ATOM   107  O O   . ASP   A 1 16  ? 20.527 1.961   5.191   1.00 14.70 ? 15  ASP   A O   1 
ATOM   108  C CB  . ASP   A 1 16  ? 21.427 1.272   8.244   1.00 16.36 ? 15  ASP   A CB  1 
ATOM   109  C CG  . ASP   A 1 16  ? 22.570 1.495   9.195   1.00 21.25 ? 15  ASP   A CG  1 
ATOM   110  O OD1 . ASP   A 1 16  ? 23.032 2.640   9.300   1.00 21.56 ? 15  ASP   A OD1 1 
ATOM   111  O OD2 . ASP   A 1 16  ? 22.940 0.534   9.902   1.00 22.82 ? 15  ASP   A OD2 1 
ATOM   112  N N   . TYR   A 1 17  ? 18.801 1.474   6.601   1.00 14.47 ? 16  TYR   A N   1 
ATOM   113  C CA  . TYR   A 1 17  ? 18.006 0.920   5.479   1.00 14.86 ? 16  TYR   A CA  1 
ATOM   114  C C   . TYR   A 1 17  ? 17.633 2.019   4.470   1.00 15.08 ? 16  TYR   A C   1 
ATOM   115  O O   . TYR   A 1 17  ? 17.747 1.799   3.243   1.00 15.66 ? 16  TYR   A O   1 
ATOM   116  C CB  . TYR   A 1 17  ? 16.775 0.084   5.951   1.00 14.35 ? 16  TYR   A CB  1 
ATOM   117  C CG  . TYR   A 1 17  ? 16.153 -0.636  4.766   1.00 14.25 ? 16  TYR   A CG  1 
ATOM   118  C CD1 . TYR   A 1 17  ? 16.878 -1.584  4.044   1.00 15.49 ? 16  TYR   A CD1 1 
ATOM   119  C CD2 . TYR   A 1 17  ? 14.911 -0.253  4.269   1.00 13.48 ? 16  TYR   A CD2 1 
ATOM   120  C CE1 . TYR   A 1 17  ? 16.341 -2.195  2.908   1.00 15.88 ? 16  TYR   A CE1 1 
ATOM   121  C CE2 . TYR   A 1 17  ? 14.374 -0.835  3.122   1.00 13.84 ? 16  TYR   A CE2 1 
ATOM   122  C CZ  . TYR   A 1 17  ? 15.115 -1.765  2.410   1.00 16.29 ? 16  TYR   A CZ  1 
ATOM   123  O OH  . TYR   A 1 17  ? 14.591 -2.393  1.286   1.00 19.63 ? 16  TYR   A OH  1 
ATOM   124  N N   . LEU   A 1 18  ? 17.242 3.238   4.973   1.00 15.75 ? 17  LEU   A N   1 
ATOM   125  C CA  . LEU   A 1 18  ? 16.908 4.297   4.010   1.00 16.24 ? 17  LEU   A CA  1 
ATOM   126  C C   . LEU   A 1 18  ? 18.139 4.758   3.225   1.00 15.83 ? 17  LEU   A C   1 
ATOM   127  O O   . LEU   A 1 18  ? 18.033 5.038   2.023   1.00 16.36 ? 17  LEU   A O   1 
ATOM   128  C CB  . LEU   A 1 18  ? 16.149 5.444   4.665   1.00 19.26 ? 17  LEU   A CB  1 
ATOM   129  C CG  . LEU   A 1 18  ? 14.729 5.051   5.176   1.00 22.26 ? 17  LEU   A CG  1 
ATOM   130  C CD1 . LEU   A 1 18  ? 13.917 6.281   5.469   1.00 23.92 ? 17  LEU   A CD1 1 
ATOM   131  C CD2 . LEU   A 1 18  ? 13.934 4.188   4.149   1.00 23.69 ? 17  LEU   A CD2 1 
ATOM   132  N N   . GLN   A 1 19  ? 19.334 4.714   3.861   1.00 14.55 ? 18  GLN   A N   1 
ATOM   133  C CA  . GLN   A 1 19  ? 20.547 5.071   3.145   1.00 16.62 ? 18  GLN   A CA  1 
ATOM   134  C C   . GLN   A 1 19  ? 20.902 4.022   2.050   1.00 17.89 ? 18  GLN   A C   1 
ATOM   135  O O   . GLN   A 1 19  ? 21.436 4.337   0.977   1.00 18.70 ? 18  GLN   A O   1 
ATOM   136  C CB  . GLN   A 1 19  ? 21.688 5.245   4.148   1.00 19.09 ? 18  GLN   A CB  1 
ATOM   137  C CG  . GLN   A 1 19  ? 21.464 6.501   4.995   1.00 22.00 ? 18  GLN   A CG  1 
ATOM   138  C CD  . GLN   A 1 19  ? 22.486 6.757   6.077   1.00 27.13 ? 18  GLN   A CD  1 
ATOM   139  O OE1 . GLN   A 1 19  ? 22.741 7.913   6.454   1.00 31.56 ? 18  GLN   A OE1 1 
ATOM   140  N NE2 . GLN   A 1 19  ? 23.051 5.713   6.650   1.00 24.07 ? 18  GLN   A NE2 1 
ATOM   141  N N   . CYS   A 1 20  ? 20.560 2.769   2.308   1.00 16.56 ? 19  CYS   A N   1 
ATOM   142  C CA  . CYS   A 1 20  ? 20.768 1.674   1.351   1.00 17.61 ? 19  CYS   A CA  1 
ATOM   143  C C   . CYS   A 1 20  ? 19.815 1.935   0.155   1.00 17.12 ? 19  CYS   A C   1 
ATOM   144  O O   . CYS   A 1 20  ? 20.234 1.900   -1.001  1.00 17.79 ? 19  CYS   A O   1 
ATOM   145  C CB  . CYS   A 1 20  ? 20.457 0.333   2.028   1.00 19.52 ? 19  CYS   A CB  1 
ATOM   146  S SG  . CYS   A 1 20  ? 20.188 -1.067  0.878   1.00 26.19 ? 19  CYS   A SG  1 
ATOM   147  N N   . VAL   A 1 21  ? 18.553 2.254   0.436   1.00 16.34 ? 20  VAL   A N   1 
ATOM   148  C CA  . VAL   A 1 21  ? 17.569 2.489   -0.630  1.00 16.22 ? 20  VAL   A CA  1 
ATOM   149  C C   . VAL   A 1 21  ? 17.938 3.726   -1.482  1.00 16.27 ? 20  VAL   A C   1 
ATOM   150  O O   . VAL   A 1 21  ? 17.880 3.674   -2.726  1.00 17.31 ? 20  VAL   A O   1 
ATOM   151  C CB  . VAL   A 1 21  ? 16.168 2.606   -0.038  1.00 17.12 ? 20  VAL   A CB  1 
ATOM   152  C CG1 . VAL   A 1 21  ? 15.177 3.012   -1.123  1.00 17.83 ? 20  VAL   A CG1 1 
ATOM   153  C CG2 . VAL   A 1 21  ? 15.761 1.270   0.606   1.00 17.31 ? 20  VAL   A CG2 1 
ATOM   154  N N   . LEU   A 1 22  ? 18.407 4.765   -0.819  1.00 16.67 ? 21  LEU   A N   1 
ATOM   155  C CA  . LEU   A 1 22  ? 18.810 5.998   -1.534  1.00 18.65 ? 21  LEU   A CA  1 
ATOM   156  C C   . LEU   A 1 22  ? 20.208 5.958   -2.144  1.00 19.81 ? 21  LEU   A C   1 
ATOM   157  O O   . LEU   A 1 22  ? 20.683 7.003   -2.657  1.00 19.79 ? 21  LEU   A O   1 
ATOM   158  C CB  . LEU   A 1 22  ? 18.760 7.197   -0.589  1.00 19.07 ? 21  LEU   A CB  1 
ATOM   159  C CG  . LEU   A 1 22  ? 17.382 7.569   -0.082  1.00 21.70 ? 21  LEU   A CG  1 
ATOM   160  C CD1 . LEU   A 1 22  ? 17.485 8.633   1.035   1.00 22.78 ? 21  LEU   A CD1 1 
ATOM   161  C CD2 . LEU   A 1 22  ? 16.476 8.010   -1.251  1.00 22.80 ? 21  LEU   A CD2 1 
ATOM   162  N N   . GLN   A 1 23  ? 20.891 4.839   -2.013  1.00 20.22 ? 22  GLN   A N   1 
ATOM   163  C CA  . GLN   A 1 23  ? 22.238 4.606   -2.527  1.00 22.94 ? 22  GLN   A CA  1 
ATOM   164  C C   . GLN   A 1 23  ? 23.260 5.576   -1.946  1.00 25.71 ? 22  GLN   A C   1 
ATOM   165  O O   . GLN   A 1 23  ? 24.162 6.067   -2.653  1.00 27.39 ? 22  GLN   A O   1 
ATOM   166  C CB  . GLN   A 1 23  ? 22.238 4.584   -4.062  1.00 24.36 ? 22  GLN   A CB  1 
ATOM   167  C CG  . GLN   A 1 23  ? 21.245 3.577   -4.629  1.00 29.16 ? 22  GLN   A CG  1 
ATOM   168  C CD  . GLN   A 1 23  ? 21.743 2.923   -5.893  1.00 36.72 ? 22  GLN   A CD  1 
ATOM   169  O OE1 . GLN   A 1 23  ? 22.831 2.335   -5.935  1.00 39.24 ? 22  GLN   A OE1 1 
ATOM   170  N NE2 . GLN   A 1 23  ? 20.964 3.026   -6.957  1.00 37.24 ? 22  GLN   A NE2 1 
ATOM   171  N N   . ILE   A 1 24  ? 23.117 5.877   -0.665  1.00 25.75 ? 23  ILE   A N   1 
ATOM   172  C CA  . ILE   A 1 24  ? 24.011 6.731   0.098   1.00 29.07 ? 23  ILE   A CA  1 
ATOM   173  C C   . ILE   A 1 24  ? 24.503 6.089   1.424   1.00 32.88 ? 23  ILE   A C   1 
ATOM   174  O O   . ILE   A 1 24  ? 24.348 6.687   2.490   1.00 31.81 ? 23  ILE   A O   1 
ATOM   175  C CB  . ILE   A 1 24  ? 23.382 8.119   0.356   1.00 29.55 ? 23  ILE   A CB  1 
ATOM   176  C CG1 . ILE   A 1 24  ? 21.971 7.988   1.014   1.00 30.42 ? 23  ILE   A CG1 1 
ATOM   177  C CG2 . ILE   A 1 24  ? 23.356 8.943   -0.934  1.00 30.19 ? 23  ILE   A CG2 1 
ATOM   178  C CD1 . ILE   A 1 24  ? 21.425 9.283   1.634   1.00 32.20 ? 23  ILE   A CD1 1 
ATOM   179  N N   . PRO   A 1 25  ? 25.122 4.898   1.394   1.00 37.53 ? 24  PRO   A N   1 
ATOM   180  C CA  . PRO   A 1 25  ? 25.679 4.333   2.641   1.00 40.55 ? 24  PRO   A CA  1 
ATOM   181  C C   . PRO   A 1 25  ? 26.637 5.309   3.331   1.00 43.97 ? 24  PRO   A C   1 
ATOM   182  O O   . PRO   A 1 25  ? 27.383 6.016   2.662   1.00 44.00 ? 24  PRO   A O   1 
ATOM   183  C CB  . PRO   A 1 25  ? 26.413 3.073   2.163   1.00 41.21 ? 24  PRO   A CB  1 
ATOM   184  C CG  . PRO   A 1 25  ? 26.646 3.283   0.692   1.00 41.04 ? 24  PRO   A CG  1 
ATOM   185  C CD  . PRO   A 1 25  ? 25.436 4.038   0.235   1.00 38.51 ? 24  PRO   A CD  1 
ATOM   186  N N   . GLN   A 1 26  ? 26.532 5.426   4.650   1.00 46.99 ? 25  GLN   A N   1 
ATOM   187  C CA  . GLN   A 1 26  ? 27.356 6.358   5.414   1.00 50.41 ? 25  GLN   A CA  1 
ATOM   188  C C   . GLN   A 1 26  ? 28.804 5.889   5.450   1.00 53.25 ? 25  GLN   A C   1 
ATOM   189  O O   . GLN   A 1 26  ? 29.092 4.771   5.879   1.00 53.67 ? 25  GLN   A O   1 
ATOM   190  C CB  . GLN   A 1 26  ? 26.776 6.531   6.831   1.00 52.48 ? 25  GLN   A CB  1 
ATOM   191  C CG  . GLN   A 1 26  ? 27.699 7.188   7.866   1.00 56.82 ? 25  GLN   A CG  1 
ATOM   192  C CD  . GLN   A 1 26  ? 27.812 8.691   7.737   1.00 61.11 ? 25  GLN   A CD  1 
ATOM   193  O OE1 . GLN   A 1 26  ? 28.916 9.258   7.671   1.00 61.53 ? 25  GLN   A OE1 1 
ATOM   194  N NE2 . GLN   A 1 26  ? 26.672 9.369   7.727   1.00 61.51 ? 25  GLN   A NE2 1 
ATOM   195  N N   . PRO   A 1 27  ? 29.745 6.746   5.023   1.00 55.18 ? 26  PRO   A N   1 
ATOM   196  C CA  . PRO   A 1 27  ? 31.164 6.348   5.063   1.00 56.39 ? 26  PRO   A CA  1 
ATOM   197  C C   . PRO   A 1 27  ? 31.792 6.385   6.466   1.00 58.14 ? 26  PRO   A C   1 
ATOM   198  O O   . PRO   A 1 27  ? 33.006 6.564   6.604   1.00 58.62 ? 26  PRO   A O   1 
ATOM   199  C CB  . PRO   A 1 27  ? 31.827 7.347   4.122   1.00 57.17 ? 26  PRO   A CB  1 
ATOM   200  C CG  . PRO   A 1 27  ? 30.957 8.567   4.185   1.00 57.18 ? 26  PRO   A CG  1 
ATOM   201  C CD  . PRO   A 1 27  ? 29.559 8.101   4.462   1.00 55.24 ? 26  PRO   A CD  1 
ATOM   202  N N   . GLY   A 1 28  ? 30.963 6.201   7.490   1.00 58.83 ? 27  GLY   A N   1 
ATOM   203  C CA  . GLY   A 1 28  ? 31.368 6.189   8.888   1.00 59.93 ? 27  GLY   A CA  1 
ATOM   204  C C   . GLY   A 1 28  ? 31.130 4.842   9.543   1.00 60.50 ? 27  GLY   A C   1 
ATOM   205  O O   . GLY   A 1 28  ? 29.983 4.493   9.864   1.00 61.41 ? 27  GLY   A O   1 
ATOM   206  N N   . SER   A 1 29  ? 32.223 4.053   9.689   1.00 59.47 ? 28  SER   A N   1 
ATOM   207  C CA  . SER   A 1 29  ? 32.288 2.721   10.311  1.00 58.64 ? 28  SER   A CA  1 
ATOM   208  C C   . SER   A 1 29  ? 31.656 1.598   9.478   1.00 57.03 ? 28  SER   A C   1 
ATOM   209  O O   . SER   A 1 29  ? 32.168 0.475   9.476   1.00 57.88 ? 28  SER   A O   1 
ATOM   210  C CB  . SER   A 1 29  ? 31.718 2.728   11.728  1.00 60.08 ? 28  SER   A CB  1 
ATOM   211  O OG  . SER   A 1 29  ? 32.742 2.620   12.706  1.00 62.36 ? 28  SER   A OG  1 
ATOM   212  N N   . GLY   A 1 30  ? 30.576 1.904   8.769   1.00 54.15 ? 29  GLY   A N   1 
ATOM   213  C CA  . GLY   A 1 30  ? 29.892 0.919   7.946   1.00 51.40 ? 29  GLY   A CA  1 
ATOM   214  C C   . GLY   A 1 30  ? 28.810 0.211   8.724   1.00 47.91 ? 29  GLY   A C   1 
ATOM   215  O O   . GLY   A 1 30  ? 28.914 0.081   9.950   1.00 48.52 ? 29  GLY   A O   1 
ATOM   216  N N   . PRO   A 1 31  ? 27.745 -0.251  8.037   1.00 44.12 ? 30  PRO   A N   1 
ATOM   217  C CA  . PRO   A 1 31  ? 26.647 -0.913  8.756   1.00 40.97 ? 30  PRO   A CA  1 
ATOM   218  C C   . PRO   A 1 31  ? 27.062 -2.124  9.574   1.00 36.79 ? 30  PRO   A C   1 
ATOM   219  O O   . PRO   A 1 31  ? 27.986 -2.837  9.207   1.00 36.29 ? 30  PRO   A O   1 
ATOM   220  C CB  . PRO   A 1 31  ? 25.663 -1.302  7.639   1.00 42.60 ? 30  PRO   A CB  1 
ATOM   221  C CG  . PRO   A 1 31  ? 26.454 -1.221  6.374   1.00 44.15 ? 30  PRO   A CG  1 
ATOM   222  C CD  . PRO   A 1 31  ? 27.455 -0.136  6.595   1.00 42.93 ? 30  PRO   A CD  1 
ATOM   223  N N   . SER   A 1 32  ? 26.355 -2.384  10.669  1.00 33.55 ? 31  SER   A N   1 
ATOM   224  C CA  . SER   A 1 32  ? 26.620 -3.554  11.510  1.00 32.07 ? 31  SER   A CA  1 
ATOM   225  C C   . SER   A 1 32  ? 26.262 -4.865  10.772  1.00 30.57 ? 31  SER   A C   1 
ATOM   226  O O   . SER   A 1 32  ? 25.614 -4.827  9.718   1.00 29.10 ? 31  SER   A O   1 
ATOM   227  C CB  . SER   A 1 32  ? 25.768 -3.472  12.771  1.00 32.14 ? 31  SER   A CB  1 
ATOM   228  O OG  . SER   A 1 32  ? 24.389 -3.623  12.450  1.00 32.35 ? 31  SER   A OG  1 
ATOM   229  N N   . LYS   A 1 33  ? 26.568 -6.012  11.413  1.00 30.27 ? 32  LYS   A N   1 
ATOM   230  C CA  . LYS   A 1 33  ? 26.222 -7.356  10.954  1.00 30.54 ? 32  LYS   A CA  1 
ATOM   231  C C   . LYS   A 1 33  ? 24.712 -7.450  10.856  1.00 27.65 ? 32  LYS   A C   1 
ATOM   232  O O   . LYS   A 1 33  ? 24.215 -7.952  9.860   1.00 26.77 ? 32  LYS   A O   1 
ATOM   233  C CB  . LYS   A 1 33  ? 26.714 -8.376  11.989  1.00 35.99 ? 32  LYS   A CB  1 
ATOM   234  C CG  . LYS   A 1 33  ? 26.418 -9.825  11.655  1.00 42.40 ? 32  LYS   A CG  1 
ATOM   235  C CD  . LYS   A 1 33  ? 26.630 -10.680 12.898  1.00 49.14 ? 32  LYS   A CD  1 
ATOM   236  C CE  . LYS   A 1 33  ? 27.056 -12.084 12.550  1.00 55.30 ? 32  LYS   A CE  1 
ATOM   237  N NZ  . LYS   A 1 33  ? 27.533 -12.823 13.760  1.00 58.83 ? 32  LYS   A NZ  1 
ATOM   238  N N   . THR   A 1 34  ? 23.969 -6.879  11.831  1.00 26.98 ? 33  THR   A N   1 
ATOM   239  C CA  . THR   A 1 34  ? 22.501 -6.901  11.797  1.00 25.25 ? 33  THR   A CA  1 
ATOM   240  C C   . THR   A 1 34  ? 22.027 -6.127  10.598  1.00 21.65 ? 33  THR   A C   1 
ATOM   241  O O   . THR   A 1 34  ? 21.190 -6.615  9.869   1.00 20.97 ? 33  THR   A O   1 
ATOM   242  C CB  . THR   A 1 34  ? 21.850 -6.304  13.070  1.00 28.58 ? 33  THR   A CB  1 
ATOM   243  O OG1 . THR   A 1 34  ? 22.182 -7.120  14.179  1.00 33.15 ? 33  THR   A OG1 1 
ATOM   244  C CG2 . THR   A 1 34  ? 20.329 -6.193  12.925  1.00 28.66 ? 33  THR   A CG2 1 
ATOM   245  N N   . SER   A 1 35  ? 22.517 -4.881  10.411  1.00 20.50 ? 34  SER   A N   1 
ATOM   246  C CA  . SER   A 1 35  ? 22.085 -4.057  9.309   1.00 19.14 ? 34  SER   A CA  1 
ATOM   247  C C   . SER   A 1 35  ? 22.351 -4.702  7.969   1.00 17.99 ? 34  SER   A C   1 
ATOM   248  O O   . SER   A 1 35  ? 21.498 -4.695  7.066   1.00 17.99 ? 34  SER   A O   1 
ATOM   249  C CB  . SER   A 1 35  ? 22.805 -2.714  9.381   1.00 23.10 ? 34  SER   A CB  1 
ATOM   250  O OG  . SER   A 1 35  ? 21.809 -1.734  9.275   1.00 26.59 ? 34  SER   A OG  1 
ATOM   251  N N   . ARG   A 1 36  ? 23.547 -5.275  7.822   1.00 16.63 ? 35  ARG   A N   1 
ATOM   252  C CA  . ARG   A 1 36  ? 23.925 -6.000  6.596   1.00 17.81 ? 35  ARG   A CA  1 
ATOM   253  C C   . ARG   A 1 36  ? 22.946 -7.121  6.265   1.00 17.40 ? 35  ARG   A C   1 
ATOM   254  O O   . ARG   A 1 36  ? 22.477 -7.198  5.118   1.00 17.96 ? 35  ARG   A O   1 
ATOM   255  C CB  . ARG   A 1 36  ? 25.337 -6.564  6.740   1.00 18.85 ? 35  ARG   A CB  1 
ATOM   256  C CG  . ARG   A 1 36  ? 26.349 -5.418  6.668   1.00 23.50 ? 35  ARG   A CG  1 
ATOM   257  C CD  . ARG   A 1 36  ? 27.729 -5.816  7.207   1.00 27.91 ? 35  ARG   A CD  1 
ATOM   258  N NE  . ARG   A 1 36  ? 28.670 -4.716  7.012   1.00 30.81 ? 35  ARG   A NE  1 
ATOM   259  C CZ  . ARG   A 1 36  ? 29.495 -4.615  5.973   1.00 34.12 ? 35  ARG   A CZ  1 
ATOM   260  N NH1 . ARG   A 1 36  ? 29.557 -5.589  5.064   1.00 32.48 ? 35  ARG   A NH1 1 
ATOM   261  N NH2 . ARG   A 1 36  ? 30.280 -3.553  5.843   1.00 33.77 ? 35  ARG   A NH2 1 
ATOM   262  N N   . VAL   A 1 37  ? 22.531 -7.930  7.292   1.00 16.43 ? 36  VAL   A N   1 
ATOM   263  C CA  . VAL   A 1 37  ? 21.591 -8.998  7.003   1.00 16.19 ? 36  VAL   A CA  1 
ATOM   264  C C   . VAL   A 1 37  ? 20.207 -8.431  6.680   1.00 16.57 ? 36  VAL   A C   1 
ATOM   265  O O   . VAL   A 1 37  ? 19.574 -8.830  5.700   1.00 16.68 ? 36  VAL   A O   1 
ATOM   266  C CB  . VAL   A 1 37  ? 21.547 -9.956  8.225   1.00 17.87 ? 36  VAL   A CB  1 
ATOM   267  C CG1 . VAL   A 1 37  ? 20.434 -10.971 8.065   1.00 17.63 ? 36  VAL   A CG1 1 
ATOM   268  C CG2 . VAL   A 1 37  ? 22.926 -10.633 8.412   1.00 19.37 ? 36  VAL   A CG2 1 
ATOM   269  N N   . LEU   A 1 38  ? 19.770 -7.431  7.467   1.00 15.98 ? 37  LEU   A N   1 
ATOM   270  C CA  . LEU   A 1 38  ? 18.462 -6.827  7.254   1.00 16.39 ? 37  LEU   A CA  1 
ATOM   271  C C   . LEU   A 1 38  ? 18.329 -6.181  5.881   1.00 16.68 ? 37  LEU   A C   1 
ATOM   272  O O   . LEU   A 1 38  ? 17.295 -6.368  5.244   1.00 17.27 ? 37  LEU   A O   1 
ATOM   273  C CB  . LEU   A 1 38  ? 18.227 -5.772  8.345   1.00 16.89 ? 37  LEU   A CB  1 
ATOM   274  C CG  . LEU   A 1 38  ? 16.943 -5.006  8.297   1.00 18.89 ? 37  LEU   A CG  1 
ATOM   275  C CD1 . LEU   A 1 38  ? 15.735 -5.920  8.282   1.00 19.09 ? 37  LEU   A CD1 1 
ATOM   276  C CD2 . LEU   A 1 38  ? 16.844 -4.086  9.538   1.00 19.08 ? 37  LEU   A CD2 1 
ATOM   277  N N   . GLN   A 1 39  ? 19.371 -5.507  5.370   1.00 16.55 ? 38  GLN   A N   1 
ATOM   278  C CA  . GLN   A 1 39  ? 19.256 -4.819  4.078   1.00 16.98 ? 38  GLN   A CA  1 
ATOM   279  C C   . GLN   A 1 39  ? 18.939 -5.813  2.918   1.00 17.51 ? 38  GLN   A C   1 
ATOM   280  O O   . GLN   A 1 39  ? 18.075 -5.531  2.077   1.00 18.06 ? 38  GLN   A O   1 
ATOM   281  C CB  . GLN   A 1 39  ? 20.489 -3.931  3.825   1.00 20.36 ? 38  GLN   A CB  1 
ATOM   282  C CG  . GLN   A 1 39  ? 20.635 -2.836  4.911   1.00 26.29 ? 38  GLN   A CG  1 
ATOM   283  C CD  . GLN   A 1 39  ? 21.942 -2.049  4.843   1.00 31.67 ? 38  GLN   A CD  1 
ATOM   284  O OE1 . GLN   A 1 39  ? 22.380 -1.421  5.821   1.00 33.93 ? 38  GLN   A OE1 1 
ATOM   285  N NE2 . GLN   A 1 39  ? 22.590 -2.063  3.698   1.00 30.34 ? 38  GLN   A NE2 1 
ATOM   286  N N   . ASN   A 1 40  ? 19.551 -7.012  2.932   1.00 17.04 ? 39  ASN   A N   1 
ATOM   287  C CA  A ASN   A 1 40  ? 19.326 -7.992  1.914   0.50 18.70 ? 39  ASN   A CA  1 
ATOM   288  C CA  B ASN   A 1 40  ? 19.270 -7.993  1.860   0.50 18.08 ? 39  ASN   A CA  1 
ATOM   289  C C   . ASN   A 1 40  ? 17.883 -8.555  2.000   1.00 18.76 ? 39  ASN   A C   1 
ATOM   290  O O   . ASN   A 1 40  ? 17.175 -8.642  1.000   1.00 19.92 ? 39  ASN   A O   1 
ATOM   291  C CB  A ASN   A 1 40  ? 20.375 -9.051  2.150   0.50 22.17 ? 39  ASN   A CB  1 
ATOM   292  C CB  B ASN   A 1 40  ? 20.253 -9.168  1.806   0.50 19.96 ? 39  ASN   A CB  1 
ATOM   293  C CG  A ASN   A 1 40  ? 20.212 -10.232 1.298   0.50 25.56 ? 39  ASN   A CG  1 
ATOM   294  C CG  B ASN   A 1 40  ? 21.614 -8.856  1.269   0.50 20.02 ? 39  ASN   A CG  1 
ATOM   295  O OD1 A ASN   A 1 40  ? 20.461 -10.170 0.105   0.50 28.56 ? 39  ASN   A OD1 1 
ATOM   296  O OD1 B ASN   A 1 40  ? 21.806 -8.008  0.376   0.50 20.40 ? 39  ASN   A OD1 1 
ATOM   297  N ND2 A ASN   A 1 40  ? 19.771 -11.318 1.922   0.50 26.72 ? 39  ASN   A ND2 1 
ATOM   298  N ND2 B ASN   A 1 40  ? 22.581 -9.590  1.768   0.50 19.89 ? 39  ASN   A ND2 1 
ATOM   299  N N   . VAL   A 1 41  ? 17.451 -8.904  3.220   1.00 18.26 ? 40  VAL   A N   1 
ATOM   300  C CA  . VAL   A 1 41  ? 16.098 -9.469  3.381   1.00 19.60 ? 40  VAL   A CA  1 
ATOM   301  C C   . VAL   A 1 41  ? 15.012 -8.440  3.162   1.00 18.47 ? 40  VAL   A C   1 
ATOM   302  O O   . VAL   A 1 41  ? 14.017 -8.707  2.491   1.00 19.23 ? 40  VAL   A O   1 
ATOM   303  C CB  . VAL   A 1 41  ? 15.941 -10.189 4.727   1.00 21.93 ? 40  VAL   A CB  1 
ATOM   304  C CG1 . VAL   A 1 41  ? 14.569 -10.831 4.800   1.00 24.36 ? 40  VAL   A CG1 1 
ATOM   305  C CG2 . VAL   A 1 41  ? 17.027 -11.239 4.893   1.00 23.60 ? 40  VAL   A CG2 1 
ATOM   306  N N   . ALA   A 1 42  ? 15.188 -7.240  3.728   1.00 16.20 ? 41  ALA   A N   1 
ATOM   307  C CA  . ALA   A 1 42  ? 14.198 -6.175  3.531   1.00 15.89 ? 41  ALA   A CA  1 
ATOM   308  C C   . ALA   A 1 42  ? 14.105 -5.716  2.070   1.00 15.90 ? 41  ALA   A C   1 
ATOM   309  O O   . ALA   A 1 42  ? 12.994 -5.476  1.585   1.00 16.77 ? 41  ALA   A O   1 
ATOM   310  C CB  . ALA   A 1 42  ? 14.473 -5.009  4.447   1.00 16.08 ? 41  ALA   A CB  1 
ATOM   311  N N   . PHE   A 1 43  ? 15.243 -5.631  1.342   1.00 15.11 ? 42  PHE   A N   1 
ATOM   312  C CA  . PHE   A 1 43  ? 15.190 -5.241  -0.075  1.00 16.67 ? 42  PHE   A CA  1 
ATOM   313  C C   . PHE   A 1 43  ? 14.384 -6.280  -0.909  1.00 17.81 ? 42  PHE   A C   1 
ATOM   314  O O   . PHE   A 1 43  ? 13.593 -5.895  -1.763  1.00 18.15 ? 42  PHE   A O   1 
ATOM   315  C CB  . PHE   A 1 43  ? 16.603 -5.008  -0.645  1.00 18.77 ? 42  PHE   A CB  1 
ATOM   316  C CG  . PHE   A 1 43  ? 16.544 -4.464  -2.052  1.00 21.82 ? 42  PHE   A CG  1 
ATOM   317  C CD1 . PHE   A 1 43  ? 15.904 -3.266  -2.317  1.00 24.06 ? 42  PHE   A CD1 1 
ATOM   318  C CD2 . PHE   A 1 43  ? 17.003 -5.218  -3.122  1.00 23.85 ? 42  PHE   A CD2 1 
ATOM   319  C CE1 . PHE   A 1 43  ? 15.774 -2.799  -3.623  1.00 25.30 ? 42  PHE   A CE1 1 
ATOM   320  C CE2 . PHE   A 1 43  ? 16.939 -4.714  -4.427  1.00 25.26 ? 42  PHE   A CE2 1 
ATOM   321  C CZ  . PHE   A 1 43  ? 16.280 -3.532  -4.666  1.00 25.19 ? 42  PHE   A CZ  1 
ATOM   322  N N   . SER   A 1 44  ? 14.543 -7.573  -0.619  1.00 18.80 ? 43  SER   A N   1 
ATOM   323  C CA  . SER   A 1 44  ? 13.802 -8.633  -1.328  1.00 20.17 ? 43  SER   A CA  1 
ATOM   324  C C   . SER   A 1 44  ? 12.319 -8.474  -1.079  1.00 19.99 ? 43  SER   A C   1 
ATOM   325  O O   . SER   A 1 44  ? 11.531 -8.521  -2.009  1.00 21.27 ? 43  SER   A O   1 
ATOM   326  C CB  . SER   A 1 44  ? 14.275 -10.022 -0.857  1.00 24.31 ? 43  SER   A CB  1 
ATOM   327  O OG  . SER   A 1 44  ? 13.557 -11.060 -1.509  1.00 26.40 ? 43  SER   A OG  1 
ATOM   328  N N   . VAL   A 1 45  ? 11.913 -8.264  0.174   1.00 18.06 ? 44  VAL   A N   1 
ATOM   329  C CA  . VAL   A 1 45  ? 10.494 -8.064  0.507   1.00 18.72 ? 44  VAL   A CA  1 
ATOM   330  C C   . VAL   A 1 45  ? 9.999  -6.797  -0.142  1.00 19.66 ? 44  VAL   A C   1 
ATOM   331  O O   . VAL   A 1 45  ? 8.908  -6.770  -0.690  1.00 21.65 ? 44  VAL   A O   1 
ATOM   332  C CB  . VAL   A 1 45  ? 10.306 -8.056  2.048   1.00 19.38 ? 44  VAL   A CB  1 
ATOM   333  C CG1 . VAL   A 1 45  ? 8.914  -7.588  2.466   1.00 21.26 ? 44  VAL   A CG1 1 
ATOM   334  C CG2 . VAL   A 1 45  ? 10.646 -9.412  2.655   1.00 20.40 ? 44  VAL   A CG2 1 
ATOM   335  N N   . GLN   A 1 46  ? 10.819 -5.716  -0.137  1.00 18.11 ? 45  GLN   A N   1 
ATOM   336  C CA  . GLN   A 1 46  ? 10.397 -4.444  -0.743  1.00 17.09 ? 45  GLN   A CA  1 
ATOM   337  C C   . GLN   A 1 46  ? 10.007 -4.622  -2.221  1.00 18.22 ? 45  GLN   A C   1 
ATOM   338  O O   . GLN   A 1 46  ? 8.982  -4.098  -2.635  1.00 18.67 ? 45  GLN   A O   1 
ATOM   339  C CB  . GLN   A 1 46  ? 11.544 -3.424  -0.666  1.00 17.41 ? 45  GLN   A CB  1 
ATOM   340  C CG  . GLN   A 1 46  ? 11.079 -2.050  -1.097  1.00 19.54 ? 45  GLN   A CG  1 
ATOM   341  C CD  . GLN   A 1 46  ? 12.231 -1.064  -1.062  1.00 22.71 ? 45  GLN   A CD  1 
ATOM   342  O OE1 . GLN   A 1 46  ? 12.981 -0.944  -0.067  1.00 20.96 ? 45  GLN   A OE1 1 
ATOM   343  N NE2 . GLN   A 1 46  ? 12.377 -0.349  -2.154  1.00 23.05 ? 45  GLN   A NE2 1 
ATOM   344  N N   . LYS   A 1 47  ? 10.827 -5.347  -3.003  1.00 20.19 ? 46  LYS   A N   1 
ATOM   345  C CA  . LYS   A 1 47  ? 10.510 -5.547  -4.432  1.00 23.74 ? 46  LYS   A CA  1 
ATOM   346  C C   . LYS   A 1 47  ? 9.171  -6.306  -4.588  1.00 26.65 ? 46  LYS   A C   1 
ATOM   347  O O   . LYS   A 1 47  ? 8.316  -5.924  -5.415  1.00 27.81 ? 46  LYS   A O   1 
ATOM   348  C CB  . LYS   A 1 47  ? 11.651 -6.302  -5.092  1.00 25.38 ? 46  LYS   A CB  1 
ATOM   349  C CG  . LYS   A 1 47  ? 12.887 -5.415  -5.177  1.00 28.85 ? 46  LYS   A CG  1 
ATOM   350  C CD  . LYS   A 1 47  ? 14.012 -6.109  -5.897  1.00 35.78 ? 46  LYS   A CD  1 
ATOM   351  C CE  . LYS   A 1 47  ? 14.572 -7.257  -5.077  1.00 40.24 ? 46  LYS   A CE  1 
ATOM   352  N NZ  . LYS   A 1 47  ? 15.500 -8.122  -5.860  1.00 44.15 ? 46  LYS   A NZ  1 
ATOM   353  N N   . GLU   A 1 48  ? 8.969  -7.310  -3.733  1.00 26.70 ? 47  GLU   A N   1 
ATOM   354  C CA  . GLU   A 1 48  ? 7.720  -8.062  -3.720  1.00 28.35 ? 47  GLU   A CA  1 
ATOM   355  C C   . GLU   A 1 48  ? 6.533  -7.177  -3.372  1.00 28.79 ? 47  GLU   A C   1 
ATOM   356  O O   . GLU   A 1 48  ? 5.551  -7.196  -4.081  1.00 29.98 ? 47  GLU   A O   1 
ATOM   357  C CB  . GLU   A 1 48  ? 7.804  -9.292  -2.780  1.00 31.58 ? 47  GLU   A CB  1 
ATOM   358  N N   . VAL   A 1 49  ? 6.609  -6.403  -2.279  1.00 27.91 ? 48  VAL   A N   1 
ATOM   359  C CA  . VAL   A 1 49  ? 5.527  -5.505  -1.895  1.00 28.07 ? 48  VAL   A CA  1 
ATOM   360  C C   . VAL   A 1 49  ? 5.285  -4.435  -2.972  1.00 29.30 ? 48  VAL   A C   1 
ATOM   361  O O   . VAL   A 1 49  ? 4.128  -4.094  -3.240  1.00 30.27 ? 48  VAL   A O   1 
ATOM   362  C CB  . VAL   A 1 49  ? 5.779  -4.918  -0.487  1.00 28.33 ? 48  VAL   A CB  1 
ATOM   363  C CG1 . VAL   A 1 49  ? 4.663  -3.962  -0.084  1.00 28.96 ? 48  VAL   A CG1 1 
ATOM   364  C CG2 . VAL   A 1 49  ? 5.919  -6.032  0.547   1.00 29.30 ? 48  VAL   A CG2 1 
ATOM   365  N N   . GLU   A 1 50  ? 6.352  -3.922  -3.634  1.00 28.35 ? 49  GLU   A N   1 
ATOM   366  C CA  . GLU   A 1 50  ? 6.182  -2.913  -4.702  1.00 30.34 ? 49  GLU   A CA  1 
ATOM   367  C C   . GLU   A 1 50  ? 5.284  -3.471  -5.827  1.00 32.81 ? 49  GLU   A C   1 
ATOM   368  O O   . GLU   A 1 50  ? 4.429  -2.754  -6.325  1.00 33.40 ? 49  GLU   A O   1 
ATOM   369  C CB  . GLU   A 1 50  ? 7.540  -2.490  -5.294  1.00 31.42 ? 49  GLU   A CB  1 
ATOM   370  C CG  . GLU   A 1 50  ? 8.255  -1.409  -4.489  1.00 34.32 ? 49  GLU   A CG  1 
ATOM   371  C CD  . GLU   A 1 50  ? 9.622  -1.045  -5.036  1.00 39.88 ? 49  GLU   A CD  1 
ATOM   372  O OE1 . GLU   A 1 50  ? 9.849  -1.261  -6.249  1.00 44.02 ? 49  GLU   A OE1 1 
ATOM   373  O OE2 . GLU   A 1 50  ? 10.475 -0.567  -4.256  1.00 37.26 ? 49  GLU   A OE2 1 
ATOM   374  N N   . LYS   A 1 51  ? 5.473  -4.742  -6.186  1.00 35.39 ? 50  LYS   A N   1 
ATOM   375  C CA  . LYS   A 1 51  ? 4.673  -5.438  -7.200  1.00 38.53 ? 50  LYS   A CA  1 
ATOM   376  C C   . LYS   A 1 51  ? 3.249  -5.690  -6.688  1.00 40.74 ? 50  LYS   A C   1 
ATOM   377  O O   . LYS   A 1 51  ? 2.305  -5.275  -7.351  1.00 42.42 ? 50  LYS   A O   1 
ATOM   378  C CB  . LYS   A 1 51  ? 5.340  -6.755  -7.612  1.00 42.12 ? 50  LYS   A CB  1 
ATOM   379  C CG  . LYS   A 1 51  ? 6.255  -6.605  -8.813  1.00 49.06 ? 50  LYS   A CG  1 
ATOM   380  C CD  . LYS   A 1 51  ? 5.436  -6.383  -10.080 1.00 55.25 ? 50  LYS   A CD  1 
ATOM   381  C CE  . LYS   A 1 51  ? 6.225  -5.807  -11.231 1.00 59.31 ? 50  LYS   A CE  1 
ATOM   382  N NZ  . LYS   A 1 51  ? 5.326  -5.118  -12.196 1.00 61.50 ? 50  LYS   A NZ  1 
ATOM   383  N N   . ASN   A 1 52  ? 3.089  -6.304  -5.491  1.00 40.59 ? 51  ASN   A N   1 
ATOM   384  C CA  . ASN   A 1 52  ? 1.781  -6.608  -4.907  0.50 40.62 ? 51  ASN   A CA  1 
ATOM   385  C C   . ASN   A 1 52  ? 0.910  -5.375  -4.626  1.00 42.01 ? 51  ASN   A C   1 
ATOM   386  O O   . ASN   A 1 52  ? -0.319 -5.459  -4.709  1.00 43.42 ? 51  ASN   A O   1 
ATOM   387  C CB  . ASN   A 1 52  ? 1.951  -7.423  -3.628  0.50 40.16 ? 51  ASN   A CB  1 
ATOM   388  C CG  . ASN   A 1 52  ? 2.577  -8.774  -3.838  0.50 41.62 ? 51  ASN   A CG  1 
ATOM   389  O OD1 . ASN   A 1 52  ? 2.627  -9.299  -4.949  0.50 42.72 ? 51  ASN   A OD1 1 
ATOM   390  N ND2 . ASN   A 1 52  ? 3.074  -9.366  -2.772  0.50 41.91 ? 51  ASN   A ND2 1 
ATOM   391  N N   . LEU   A 1 53  ? 1.524  -4.244  -4.247  1.00 41.13 ? 52  LEU   A N   1 
ATOM   392  C CA  . LEU   A 1 53  ? 0.795  -3.014  -3.927  1.00 40.36 ? 52  LEU   A CA  1 
ATOM   393  C C   . LEU   A 1 53  ? 0.793  -1.988  -5.076  1.00 40.02 ? 52  LEU   A C   1 
ATOM   394  O O   . LEU   A 1 53  ? 0.383  -0.855  -4.865  1.00 39.14 ? 52  LEU   A O   1 
ATOM   395  C CB  . LEU   A 1 53  ? 1.361  -2.358  -2.648  1.00 40.53 ? 52  LEU   A CB  1 
ATOM   396  C CG  . LEU   A 1 53  ? 0.819  -2.894  -1.308  1.00 42.12 ? 52  LEU   A CG  1 
ATOM   397  C CD1 . LEU   A 1 53  ? 1.441  -2.153  -0.123  1.00 42.40 ? 52  LEU   A CD1 1 
ATOM   398  C CD2 . LEU   A 1 53  ? -0.710 -2.768  -1.247  1.00 42.54 ? 52  LEU   A CD2 1 
ATOM   399  N N   . LYS   A 1 54  ? 1.217  -2.377  -6.275  1.00 40.91 ? 53  LYS   A N   1 
ATOM   400  C CA  . LYS   A 1 54  ? 1.303  -1.448  -7.400  1.00 42.39 ? 53  LYS   A CA  1 
ATOM   401  C C   . LYS   A 1 54  ? 0.003  -0.691  -7.702  1.00 43.65 ? 53  LYS   A C   1 
ATOM   402  O O   . LYS   A 1 54  ? 0.065  0.519   -7.895  1.00 43.65 ? 53  LYS   A O   1 
ATOM   403  C CB  . LYS   A 1 54  ? 1.843  -2.137  -8.651  1.00 44.60 ? 53  LYS   A CB  1 
ATOM   404  C CG  . LYS   A 1 54  ? 2.400  -1.149  -9.663  1.00 48.67 ? 53  LYS   A CG  1 
ATOM   405  C CD  . LYS   A 1 54  ? 2.845  -1.803  -10.945 1.00 52.35 ? 53  LYS   A CD  1 
ATOM   406  C CE  . LYS   A 1 54  ? 3.544  -0.766  -11.789 1.00 56.64 ? 53  LYS   A CE  1 
ATOM   407  N NZ  . LYS   A 1 54  ? 2.783  0.521   -11.834 1.00 58.02 ? 53  LYS   A NZ  1 
ATOM   408  N N   . SER   A 1 55  ? -1.172 -1.353  -7.663  1.00 44.81 ? 54  SER   A N   1 
ATOM   409  C CA  . SER   A 1 55  ? -2.446 -0.647  -7.927  1.00 46.05 ? 54  SER   A CA  1 
ATOM   410  C C   . SER   A 1 55  ? -2.806 0.381   -6.849  1.00 46.33 ? 54  SER   A C   1 
ATOM   411  O O   . SER   A 1 55  ? -3.488 1.365   -7.128  1.00 47.10 ? 54  SER   A O   1 
ATOM   412  C CB  . SER   A 1 55  ? -3.600 -1.632  -8.104  1.00 47.94 ? 54  SER   A CB  1 
ATOM   413  O OG  . SER   A 1 55  ? -3.408 -2.419  -9.267  1.00 51.29 ? 54  SER   A OG  1 
ATOM   414  N N   . CYS   A 1 56  ? -2.364 0.147   -5.624  1.00 45.98 ? 55  CYS   A N   1 
ATOM   415  C CA  . CYS   A 1 56  ? -2.626 1.059   -4.517  1.00 45.86 ? 55  CYS   A CA  1 
ATOM   416  C C   . CYS   A 1 56  ? -1.630 2.217   -4.561  1.00 44.71 ? 55  CYS   A C   1 
ATOM   417  O O   . CYS   A 1 56  ? -2.014 3.369   -4.385  1.00 44.94 ? 55  CYS   A O   1 
ATOM   418  C CB  . CYS   A 1 56  ? -2.540 0.310   -3.193  1.00 47.70 ? 55  CYS   A CB  1 
ATOM   419  S SG  . CYS   A 1 56  ? -3.883 -0.876  -2.917  1.00 55.17 ? 55  CYS   A SG  1 
ATOM   420  N N   . LEU   A 1 57  ? -0.348 1.908   -4.779  1.00 43.17 ? 56  LEU   A N   1 
ATOM   421  C CA  . LEU   A 1 57  ? 0.701  2.919   -4.797  1.00 42.63 ? 56  LEU   A CA  1 
ATOM   422  C C   . LEU   A 1 57  ? 0.497  3.897   -5.946  1.00 43.96 ? 56  LEU   A C   1 
ATOM   423  O O   . LEU   A 1 57  ? 0.611  5.102   -5.742  1.00 43.28 ? 56  LEU   A O   1 
ATOM   424  C CB  . LEU   A 1 57  ? 2.089  2.257   -4.824  1.00 41.42 ? 56  LEU   A CB  1 
ATOM   425  C CG  . LEU   A 1 57  ? 2.423  1.510   -3.524  1.00 40.73 ? 56  LEU   A CG  1 
ATOM   426  C CD1 . LEU   A 1 57  ? 3.521  0.482   -3.726  1.00 40.51 ? 56  LEU   A CD1 1 
ATOM   427  C CD2 . LEU   A 1 57  ? 2.720  2.467   -2.412  1.00 40.52 ? 56  LEU   A CD2 1 
ATOM   428  N N   . ASP   A 1 58  ? 0.077  3.397   -7.129  1.00 45.22 ? 57  ASP   A N   1 
ATOM   429  C CA  . ASP   A 1 58  ? -0.214 4.296   -8.254  1.00 46.29 ? 57  ASP   A CA  1 
ATOM   430  C C   . ASP   A 1 58  ? -1.362 5.242   -7.910  1.00 47.61 ? 57  ASP   A C   1 
ATOM   431  O O   . ASP   A 1 58  ? -1.310 6.408   -8.279  1.00 48.68 ? 57  ASP   A O   1 
ATOM   432  C CB  . ASP   A 1 58  ? -0.521 3.508   -9.536  1.00 47.53 ? 57  ASP   A CB  1 
ATOM   433  C CG  . ASP   A 1 58  ? 0.684  2.817   -10.145 1.00 50.89 ? 57  ASP   A CG  1 
ATOM   434  O OD1 . ASP   A 1 58  ? 1.824  3.105   -9.707  1.00 50.87 ? 57  ASP   A OD1 1 
ATOM   435  O OD2 . ASP   A 1 58  ? 0.487  1.972   -11.051 1.00 53.27 ? 57  ASP   A OD2 1 
ATOM   436  N N   . ASN   A 1 59  ? -2.345 4.767   -7.132  1.00 47.36 ? 58  ASN   A N   1 
ATOM   437  C CA  . ASN   A 1 59  ? -3.508 5.542   -6.699  1.00 47.49 ? 58  ASN   A CA  1 
ATOM   438  C C   . ASN   A 1 59  ? -3.155 6.708   -5.764  1.00 46.61 ? 58  ASN   A C   1 
ATOM   439  O O   . ASN   A 1 59  ? -3.973 7.606   -5.617  1.00 46.96 ? 58  ASN   A O   1 
ATOM   440  C CB  . ASN   A 1 59  ? -4.570 4.623   -6.064  1.00 49.46 ? 58  ASN   A CB  1 
ATOM   441  C CG  . ASN   A 1 59  ? -5.924 5.281   -5.851  1.00 54.21 ? 58  ASN   A CG  1 
ATOM   442  O OD1 . ASN   A 1 59  ? -6.421 6.034   -6.699  1.00 56.09 ? 58  ASN   A OD1 1 
ATOM   443  N ND2 . ASN   A 1 59  ? -6.549 5.026   -4.708  1.00 54.85 ? 58  ASN   A ND2 1 
ATOM   444  N N   . VAL   A 1 60  ? -1.956 6.719   -5.144  1.00 45.46 ? 59  VAL   A N   1 
ATOM   445  C CA  . VAL   A 1 60  ? -1.589 7.817   -4.246  1.00 44.85 ? 59  VAL   A CA  1 
ATOM   446  C C   . VAL   A 1 60  ? -0.314 8.525   -4.637  1.00 42.98 ? 59  VAL   A C   1 
ATOM   447  O O   . VAL   A 1 60  ? 0.597  7.932   -5.206  1.00 43.14 ? 59  VAL   A O   1 
ATOM   448  C CB  . VAL   A 1 60  ? -1.527 7.402   -2.746  1.00 46.49 ? 59  VAL   A CB  1 
ATOM   449  C CG1 . VAL   A 1 60  ? -2.916 7.207   -2.169  1.00 47.30 ? 59  VAL   A CG1 1 
ATOM   450  C CG2 . VAL   A 1 60  ? -0.655 6.165   -2.534  1.00 47.08 ? 59  VAL   A CG2 1 
ATOM   451  N N   . ASN   A 1 61  ? -0.242 9.805   -4.291  1.00 41.10 ? 60  ASN   A N   1 
ATOM   452  C CA  . ASN   A 1 61  ? 0.940  10.622  -4.480  1.00 39.24 ? 60  ASN   A CA  1 
ATOM   453  C C   . ASN   A 1 61  ? 1.439  10.924  -3.083  1.00 36.11 ? 60  ASN   A C   1 
ATOM   454  O O   . ASN   A 1 61  ? 0.703  11.504  -2.311  1.00 36.12 ? 60  ASN   A O   1 
ATOM   455  C CB  . ASN   A 1 61  ? 0.576  11.921  -5.202  1.00 41.75 ? 60  ASN   A CB  1 
ATOM   456  C CG  . ASN   A 1 61  ? 0.459  11.713  -6.684  1.00 48.51 ? 60  ASN   A CG  1 
ATOM   457  O OD1 . ASN   A 1 61  ? -0.512 11.116  -7.174  1.00 50.79 ? 60  ASN   A OD1 1 
ATOM   458  N ND2 . ASN   A 1 61  ? 1.460  12.189  -7.430  1.00 50.46 ? 60  ASN   A ND2 1 
ATOM   459  N N   . VAL   A 1 62  ? 2.664  10.501  -2.731  1.00 34.33 ? 61  VAL   A N   1 
ATOM   460  C CA  . VAL   A 1 62  ? 3.217  10.749  -1.394  1.00 33.42 ? 61  VAL   A CA  1 
ATOM   461  C C   . VAL   A 1 62  ? 3.852  12.136  -1.385  1.00 33.33 ? 61  VAL   A C   1 
ATOM   462  O O   . VAL   A 1 62  ? 5.070  12.289  -1.570  1.00 34.22 ? 61  VAL   A O   1 
ATOM   463  C CB  . VAL   A 1 62  ? 4.194  9.632   -0.956  1.00 33.43 ? 61  VAL   A CB  1 
ATOM   464  C CG1 . VAL   A 1 62  ? 4.606  9.812   0.500   1.00 33.68 ? 61  VAL   A CG1 1 
ATOM   465  C CG2 . VAL   A 1 62  ? 3.558  8.257   -1.160  1.00 33.51 ? 61  VAL   A CG2 1 
ATOM   466  N N   . VAL   A 1 63  ? 3.000  13.155  -1.257  1.00 33.04 ? 62  VAL   A N   1 
ATOM   467  C CA  . VAL   A 1 63  ? 3.380  14.566  -1.362  1.00 32.79 ? 62  VAL   A CA  1 
ATOM   468  C C   . VAL   A 1 63  ? 4.116  15.130  -0.172  1.00 30.45 ? 62  VAL   A C   1 
ATOM   469  O O   . VAL   A 1 63  ? 4.647  16.229  -0.275  1.00 30.10 ? 62  VAL   A O   1 
ATOM   470  C CB  . VAL   A 1 63  ? 2.136  15.445  -1.668  1.00 34.90 ? 62  VAL   A CB  1 
ATOM   471  C CG1 . VAL   A 1 63  ? 1.430  14.976  -2.934  1.00 35.85 ? 62  VAL   A CG1 1 
ATOM   472  C CG2 . VAL   A 1 63  ? 1.166  15.431  -0.497  1.00 35.93 ? 62  VAL   A CG2 1 
ATOM   473  N N   . SER   A 1 64  ? 4.111  14.440  0.969   1.00 29.60 ? 63  SER   A N   1 
ATOM   474  C CA  . SER   A 1 64  ? 4.722  14.968  2.192   1.00 28.81 ? 63  SER   A CA  1 
ATOM   475  C C   . SER   A 1 64  ? 4.976  13.839  3.213   1.00 28.45 ? 63  SER   A C   1 
ATOM   476  O O   . SER   A 1 64  ? 4.456  12.712  3.061   1.00 29.06 ? 63  SER   A O   1 
ATOM   477  C CB  . SER   A 1 64  ? 3.779  15.991  2.827   1.00 30.06 ? 63  SER   A CB  1 
ATOM   478  O OG  . SER   A 1 64  ? 2.592  15.372  3.319   1.00 32.18 ? 63  SER   A OG  1 
ATOM   479  N N   . VAL   A 1 65  ? 5.733  14.142  4.263   1.00 27.66 ? 64  VAL   A N   1 
ATOM   480  C CA  . VAL   A 1 65  ? 5.993  13.174  5.326   1.00 28.54 ? 64  VAL   A CA  1 
ATOM   481  C C   . VAL   A 1 65  ? 4.679  12.716  6.012   1.00 29.95 ? 64  VAL   A C   1 
ATOM   482  O O   . VAL   A 1 65  ? 4.521  11.534  6.327   1.00 30.39 ? 64  VAL   A O   1 
ATOM   483  C CB  . VAL   A 1 65  ? 6.949  13.775  6.365   1.00 29.20 ? 64  VAL   A CB  1 
ATOM   484  C CG1 . VAL   A 1 65  ? 7.104  12.832  7.558   1.00 30.00 ? 64  VAL   A CG1 1 
ATOM   485  C CG2 . VAL   A 1 65  ? 8.299  14.093  5.736   1.00 30.12 ? 64  VAL   A CG2 1 
ATOM   486  N N   . ASP   A 1 66  ? 3.720  13.659  6.243   1.00 30.29 ? 65  ASP   A N   1 
ATOM   487  C CA  . ASP   A 1 66  ? 2.436  13.316  6.860   1.00 30.81 ? 65  ASP   A CA  1 
ATOM   488  C C   . ASP   A 1 66  ? 1.699  12.290  5.979   1.00 31.30 ? 65  ASP   A C   1 
ATOM   489  O O   . ASP   A 1 66  ? 1.025  11.406  6.511   1.00 32.19 ? 65  ASP   A O   1 
ATOM   490  C CB  . ASP   A 1 66  ? 1.542  14.579  7.032   1.00 34.55 ? 65  ASP   A CB  1 
ATOM   491  C CG  . ASP   A 1 66  ? 2.037  15.699  7.958   1.00 42.37 ? 65  ASP   A CG  1 
ATOM   492  O OD1 . ASP   A 1 66  ? 2.684  15.386  8.981   1.00 43.71 ? 65  ASP   A OD1 1 
ATOM   493  O OD2 . ASP   A 1 66  ? 1.766  16.903  7.650   1.00 45.36 ? 65  ASP   A OD2 1 
ATOM   494  N N   . THR   A 1 67  ? 1.815  12.402  4.628   1.00 30.60 ? 66  THR   A N   1 
ATOM   495  C CA  . THR   A 1 67  ? 1.154  11.423  3.746   1.00 30.38 ? 66  THR   A CA  1 
ATOM   496  C C   . THR   A 1 67  ? 1.819  10.050  3.936   1.00 29.47 ? 66  THR   A C   1 
ATOM   497  O O   . THR   A 1 67  ? 1.124  9.045   4.049   1.00 28.99 ? 66  THR   A O   1 
ATOM   498  C CB  . THR   A 1 67  ? 1.268  11.823  2.270   1.00 31.13 ? 66  THR   A CB  1 
ATOM   499  O OG1 . THR   A 1 67  ? 0.819  13.167  2.109   1.00 31.07 ? 66  THR   A OG1 1 
ATOM   500  C CG2 . THR   A 1 67  ? 0.487  10.876  1.347   1.00 32.24 ? 66  THR   A CG2 1 
ATOM   501  N N   . ALA   A 1 68  ? 3.167  10.029  4.002   1.00 28.86 ? 67  ALA   A N   1 
ATOM   502  C CA  . ALA   A 1 68  ? 3.940  8.795   4.165   1.00 28.53 ? 67  ALA   A CA  1 
ATOM   503  C C   . ALA   A 1 68  ? 3.551  8.115   5.489   1.00 29.42 ? 67  ALA   A C   1 
ATOM   504  O O   . ALA   A 1 68  ? 3.336  6.902   5.526   1.00 29.24 ? 67  ALA   A O   1 
ATOM   505  C CB  . ALA   A 1 68  ? 5.433  9.109   4.129   1.00 27.73 ? 67  ALA   A CB  1 
ATOM   506  N N   . ARG   A 1 69  ? 3.422  8.900   6.554   1.00 29.71 ? 68  ARG   A N   1 
ATOM   507  C CA  A ARG   A 1 69  ? 3.022  8.404   7.868   0.50 30.47 ? 68  ARG   A CA  1 
ATOM   508  C CA  B ARG   A 1 69  ? 3.034  8.357   7.854   0.50 30.92 ? 68  ARG   A CA  1 
ATOM   509  C C   . ARG   A 1 69  ? 1.627  7.768   7.840   1.00 31.90 ? 68  ARG   A C   1 
ATOM   510  O O   . ARG   A 1 69  ? 1.410  6.703   8.429   1.00 31.83 ? 68  ARG   A O   1 
ATOM   511  C CB  A ARG   A 1 69  ? 3.055  9.562   8.864   0.50 30.66 ? 68  ARG   A CB  1 
ATOM   512  C CB  B ARG   A 1 69  ? 3.200  9.395   8.959   0.50 32.29 ? 68  ARG   A CB  1 
ATOM   513  C CG  A ARG   A 1 69  ? 2.627  9.194   10.271  0.50 31.40 ? 68  ARG   A CG  1 
ATOM   514  C CG  B ARG   A 1 69  ? 3.078  8.815   10.368  0.50 35.39 ? 68  ARG   A CG  1 
ATOM   515  C CD  A ARG   A 1 69  ? 2.573  10.434  11.142  0.50 32.63 ? 68  ARG   A CD  1 
ATOM   516  C CD  B ARG   A 1 69  ? 3.629  9.769   11.418  0.50 38.58 ? 68  ARG   A CD  1 
ATOM   517  N NE  A ARG   A 1 69  ? 3.838  11.177  11.162  0.50 34.27 ? 68  ARG   A NE  1 
ATOM   518  N NE  B ARG   A 1 69  ? 2.931  11.056  11.398  0.50 41.09 ? 68  ARG   A NE  1 
ATOM   519  C CZ  A ARG   A 1 69  ? 4.757  11.070  12.117  0.50 36.16 ? 68  ARG   A CZ  1 
ATOM   520  C CZ  B ARG   A 1 69  ? 3.468  12.197  10.981  0.50 42.66 ? 68  ARG   A CZ  1 
ATOM   521  N NH1 A ARG   A 1 69  ? 4.575  10.238  13.132  0.50 36.61 ? 68  ARG   A NH1 1 
ATOM   522  N NH1 B ARG   A 1 69  ? 2.753  13.314  10.989  0.50 42.04 ? 68  ARG   A NH1 1 
ATOM   523  N NH2 A ARG   A 1 69  ? 5.862  11.800  12.066  0.50 36.33 ? 68  ARG   A NH2 1 
ATOM   524  N NH2 B ARG   A 1 69  ? 4.722  12.229  10.543  0.50 42.64 ? 68  ARG   A NH2 1 
ATOM   525  N N   . THR   A 1 70  ? 0.672  8.423   7.140   1.00 33.06 ? 69  THR   A N   1 
ATOM   526  C CA  . THR   A 1 70  ? -0.702 7.913   7.032   1.00 33.80 ? 69  THR   A CA  1 
ATOM   527  C C   . THR   A 1 70  ? -0.699 6.569   6.319   1.00 34.48 ? 69  THR   A C   1 
ATOM   528  O O   . THR   A 1 70  ? -1.339 5.616   6.775   1.00 34.76 ? 69  THR   A O   1 
ATOM   529  C CB  . THR   A 1 70  ? -1.589 8.938   6.268   1.00 35.84 ? 69  THR   A CB  1 
ATOM   530  O OG1 . THR   A 1 70  ? -1.659 10.140  7.034   1.00 36.31 ? 69  THR   A OG1 1 
ATOM   531  C CG2 . THR   A 1 70  ? -3.006 8.412   5.996   1.00 36.71 ? 69  THR   A CG2 1 
ATOM   532  N N   . LEU   A 1 71  ? 0.063  6.473   5.221   1.00 33.42 ? 70  LEU   A N   1 
ATOM   533  C CA  . LEU   A 1 71  ? 0.138  5.233   4.461   1.00 33.64 ? 70  LEU   A CA  1 
ATOM   534  C C   . LEU   A 1 71  ? 0.812  4.104   5.289   1.00 32.48 ? 70  LEU   A C   1 
ATOM   535  O O   . LEU   A 1 71  ? 0.373  2.942   5.246   1.00 32.69 ? 70  LEU   A O   1 
ATOM   536  C CB  . LEU   A 1 71  ? 0.924  5.520   3.177   1.00 34.86 ? 70  LEU   A CB  1 
ATOM   537  C CG  . LEU   A 1 71  ? 0.332  4.946   1.923   1.00 39.01 ? 70  LEU   A CG  1 
ATOM   538  C CD1 . LEU   A 1 71  ? -1.077 5.506   1.664   1.00 40.08 ? 70  LEU   A CD1 1 
ATOM   539  C CD2 . LEU   A 1 71  ? 1.255  5.175   0.731   1.00 40.63 ? 70  LEU   A CD2 1 
ATOM   540  N N   . PHE   A 1 72  ? 1.868  4.469   6.044   1.00 30.93 ? 71  PHE   A N   1 
ATOM   541  C CA  . PHE   A 1 72  ? 2.645  3.543   6.877   1.00 29.90 ? 71  PHE   A CA  1 
ATOM   542  C C   . PHE   A 1 72  ? 1.723  2.985   7.963   1.00 31.04 ? 71  PHE   A C   1 
ATOM   543  O O   . PHE   A 1 72  ? 1.651  1.778   8.131   1.00 31.80 ? 71  PHE   A O   1 
ATOM   544  C CB  . PHE   A 1 72  ? 3.832  4.266   7.533   1.00 28.77 ? 71  PHE   A CB  1 
ATOM   545  C CG  . PHE   A 1 72  ? 4.653  3.405   8.478   1.00 27.89 ? 71  PHE   A CG  1 
ATOM   546  C CD1 . PHE   A 1 72  ? 5.640  2.560   7.992   1.00 27.62 ? 71  PHE   A CD1 1 
ATOM   547  C CD2 . PHE   A 1 72  ? 4.502  3.513   9.853   1.00 28.39 ? 71  PHE   A CD2 1 
ATOM   548  C CE1 . PHE   A 1 72  ? 6.425  1.802   8.859   1.00 27.12 ? 71  PHE   A CE1 1 
ATOM   549  C CE2 . PHE   A 1 72  ? 5.269  2.723   10.723  1.00 27.96 ? 71  PHE   A CE2 1 
ATOM   550  C CZ  . PHE   A 1 72  ? 6.216  1.865   10.218  1.00 26.80 ? 71  PHE   A CZ  1 
ATOM   551  N N   . ASN   A 1 73  ? 0.950  3.849   8.615   1.00 31.73 ? 72  ASN   A N   1 
ATOM   552  C CA  . ASN   A 1 73  ? 0.000  3.437   9.644   1.00 32.91 ? 72  ASN   A CA  1 
ATOM   553  C C   . ASN   A 1 73  ? -1.089 2.541   9.145   1.00 35.13 ? 72  ASN   A C   1 
ATOM   554  O O   . ASN   A 1 73  ? -1.408 1.576   9.815   1.00 35.20 ? 72  ASN   A O   1 
ATOM   555  C CB  . ASN   A 1 73  ? -0.574 4.628   10.355  1.00 33.18 ? 72  ASN   A CB  1 
ATOM   556  C CG  . ASN   A 1 73  ? 0.421  5.297   11.267  1.00 36.36 ? 72  ASN   A CG  1 
ATOM   557  O OD1 . ASN   A 1 73  ? 1.447  4.709   11.661  1.00 37.34 ? 72  ASN   A OD1 1 
ATOM   558  N ND2 . ASN   A 1 73  ? 0.118  6.535   11.643  1.00 36.75 ? 72  ASN   A ND2 1 
ATOM   559  N N   . GLN   A 1 74  ? -1.633 2.807   7.968   1.00 36.00 ? 73  GLN   A N   1 
ATOM   560  C CA  . GLN   A 1 74  ? -2.695 1.989   7.398   1.00 37.61 ? 73  GLN   A CA  1 
ATOM   561  C C   . GLN   A 1 74  ? -2.209 0.576   7.002   1.00 38.91 ? 73  GLN   A C   1 
ATOM   562  O O   . GLN   A 1 74  ? -2.931 -0.414  7.191   1.00 39.94 ? 73  GLN   A O   1 
ATOM   563  C CB  . GLN   A 1 74  ? -3.231 2.712   6.169   1.00 39.75 ? 73  GLN   A CB  1 
ATOM   564  C CG  . GLN   A 1 74  ? -4.729 2.760   6.079   1.00 43.66 ? 73  GLN   A CG  1 
ATOM   565  C CD  . GLN   A 1 74  ? -5.056 3.476   4.807   1.00 49.30 ? 73  GLN   A CD  1 
ATOM   566  O OE1 . GLN   A 1 74  ? -4.588 4.597   4.573   1.00 52.16 ? 73  GLN   A OE1 1 
ATOM   567  N NE2 . GLN   A 1 74  ? -5.833 2.835   3.947   1.00 49.67 ? 73  GLN   A NE2 1 
ATOM   568  N N   . VAL   A 1 75  ? -0.995 0.476   6.446   1.00 38.26 ? 74  VAL   A N   1 
ATOM   569  C CA  . VAL   A 1 75  ? -0.430 -0.824  6.112   1.00 38.21 ? 74  VAL   A CA  1 
ATOM   570  C C   . VAL   A 1 75  ? -0.028 -1.543  7.397   1.00 38.30 ? 74  VAL   A C   1 
ATOM   571  O O   . VAL   A 1 75  ? -0.333 -2.722  7.565   1.00 37.88 ? 74  VAL   A O   1 
ATOM   572  C CB  . VAL   A 1 75  ? 0.767  -0.698  5.133   1.00 39.51 ? 74  VAL   A CB  1 
ATOM   573  C CG1 . VAL   A 1 75  ? 1.565  -1.997  5.058   1.00 40.20 ? 74  VAL   A CG1 1 
ATOM   574  C CG2 . VAL   A 1 75  ? 0.281  -0.309  3.751   1.00 40.46 ? 74  VAL   A CG2 1 
ATOM   575  N N   . MET   A 1 76  ? 0.682  -0.853  8.288   1.00 38.77 ? 75  MET   A N   1 
ATOM   576  C CA  . MET   A 1 76  ? 1.180  -1.449  9.534   1.00 39.78 ? 75  MET   A CA  1 
ATOM   577  C C   . MET   A 1 76  ? 0.067  -1.838  10.513  1.00 41.89 ? 75  MET   A C   1 
ATOM   578  O O   . MET   A 1 76  ? 0.179  -2.861  11.186  1.00 41.42 ? 75  MET   A O   1 
ATOM   579  C CB  . MET   A 1 76  ? 2.228  -0.526  10.187  1.00 40.32 ? 75  MET   A CB  1 
ATOM   580  C CG  . MET   A 1 76  ? 3.710  -0.959  9.975   1.00 41.16 ? 75  MET   A CG  1 
ATOM   581  S SD  . MET   A 1 76  ? 4.105  -2.032  8.560   1.00 48.56 ? 75  MET   A SD  1 
ATOM   582  C CE  . MET   A 1 76  ? 4.267  -0.837  7.309   1.00 44.26 ? 75  MET   A CE  1 
ATOM   583  N N   . GLU   A 1 77  ? -1.018 -1.053  10.560  1.00 43.11 ? 76  GLU   A N   1 
ATOM   584  C CA  . GLU   A 1 77  ? -2.165 -1.345  11.422  1.00 45.31 ? 76  GLU   A CA  1 
ATOM   585  C C   . GLU   A 1 77  ? -2.813 -2.638  11.004  1.00 46.33 ? 76  GLU   A C   1 
ATOM   586  O O   . GLU   A 1 77  ? -3.146 -3.443  11.868  1.00 47.11 ? 76  GLU   A O   1 
ATOM   587  C CB  . GLU   A 1 77  ? -3.196 -0.198  11.430  1.00 48.67 ? 76  GLU   A CB  1 
ATOM   588  C CG  . GLU   A 1 77  ? -2.917 0.858   12.493  1.00 55.35 ? 76  GLU   A CG  1 
ATOM   589  C CD  . GLU   A 1 77  ? -3.508 2.239   12.245  1.00 63.47 ? 76  GLU   A CD  1 
ATOM   590  O OE1 . GLU   A 1 77  ? -4.512 2.341   11.503  1.00 64.53 ? 76  GLU   A OE1 1 
ATOM   591  O OE2 . GLU   A 1 77  ? -2.956 3.224   12.788  1.00 66.18 ? 76  GLU   A OE2 1 
ATOM   592  N N   . LYS   A 1 78  ? -2.941 -2.884  9.692   1.00 46.37 ? 77  LYS   A N   1 
ATOM   593  C CA  . LYS   A 1 78  ? -3.547 -4.125  9.229   1.00 46.50 ? 77  LYS   A CA  1 
ATOM   594  C C   . LYS   A 1 78  ? -2.566 -5.293  9.260   1.00 45.00 ? 77  LYS   A C   1 
ATOM   595  O O   . LYS   A 1 78  ? -2.993 -6.431  9.446   1.00 45.92 ? 77  LYS   A O   1 
ATOM   596  C CB  . LYS   A 1 78  ? -4.225 -3.955  7.857   1.00 49.77 ? 77  LYS   A CB  1 
ATOM   597  C CG  . LYS   A 1 78  ? -3.271 -3.935  6.686   1.00 55.27 ? 77  LYS   A CG  1 
ATOM   598  C CD  . LYS   A 1 78  ? -3.557 -5.073  5.720   1.00 60.96 ? 77  LYS   A CD  1 
ATOM   599  C CE  . LYS   A 1 78  ? -2.936 -6.400  6.091   1.00 64.93 ? 77  LYS   A CE  1 
ATOM   600  N NZ  . LYS   A 1 78  ? -3.838 -7.223  6.932   1.00 67.34 ? 77  LYS   A NZ  1 
ATOM   601  N N   . GLU   A 1 79  ? -1.251 -5.032  9.100   1.00 42.31 ? 78  GLU   A N   1 
ATOM   602  C CA  . GLU   A 1 79  ? -0.260 -6.098  9.135   1.00 39.85 ? 78  GLU   A CA  1 
ATOM   603  C C   . GLU   A 1 79  ? -0.195 -6.738  10.542  1.00 38.31 ? 78  GLU   A C   1 
ATOM   604  O O   . GLU   A 1 79  ? 0.035  -7.949  10.653  1.00 38.38 ? 78  GLU   A O   1 
ATOM   605  C CB  . GLU   A 1 79  ? 1.119  -5.541  8.713   1.00 40.06 ? 78  GLU   A CB  1 
ATOM   606  C CG  . GLU   A 1 79  ? 2.273  -6.520  8.798   1.00 41.57 ? 78  GLU   A CG  1 
ATOM   607  C CD  . GLU   A 1 79  ? 2.639  -7.241  7.514   1.00 45.63 ? 78  GLU   A CD  1 
ATOM   608  O OE1 . GLU   A 1 79  ? 3.642  -7.993  7.521   1.00 46.33 ? 78  GLU   A OE1 1 
ATOM   609  O OE2 . GLU   A 1 79  ? 1.927  -7.062  6.501   1.00 46.37 ? 78  GLU   A OE2 1 
ATOM   610  N N   . PHE   A 1 80  ? -0.413 -5.933  11.610  1.00 36.96 ? 79  PHE   A N   1 
ATOM   611  C CA  . PHE   A 1 80  ? -0.326 -6.428  12.981  1.00 36.09 ? 79  PHE   A CA  1 
ATOM   612  C C   . PHE   A 1 80  ? -1.665 -6.488  13.749  1.00 38.32 ? 79  PHE   A C   1 
ATOM   613  O O   . PHE   A 1 80  ? -1.630 -6.742  14.952  1.00 38.13 ? 79  PHE   A O   1 
ATOM   614  C CB  . PHE   A 1 80  ? 0.647  -5.573  13.794  1.00 33.82 ? 79  PHE   A CB  1 
ATOM   615  C CG  . PHE   A 1 80  ? 2.080  -5.656  13.324  1.00 31.60 ? 79  PHE   A CG  1 
ATOM   616  C CD1 . PHE   A 1 80  ? 2.946  -6.582  13.861  1.00 30.78 ? 79  PHE   A CD1 1 
ATOM   617  C CD2 . PHE   A 1 80  ? 2.562  -4.789  12.357  1.00 31.51 ? 79  PHE   A CD2 1 
ATOM   618  C CE1 . PHE   A 1 80  ? 4.263  -6.652  13.431  1.00 31.05 ? 79  PHE   A CE1 1 
ATOM   619  C CE2 . PHE   A 1 80  ? 3.874  -4.891  11.909  1.00 30.51 ? 79  PHE   A CE2 1 
ATOM   620  C CZ  . PHE   A 1 80  ? 4.714  -5.795  12.468  1.00 30.24 ? 79  PHE   A CZ  1 
ATOM   621  N N   . GLU   A 1 81  ? -2.809 -6.282  13.084  1.00 39.75 ? 80  GLU   A N   1 
ATOM   622  C CA  . GLU   A 1 81  ? -4.096 -6.284  13.791  1.00 41.82 ? 80  GLU   A CA  1 
ATOM   623  C C   . GLU   A 1 81  ? -4.425 -7.619  14.495  1.00 43.26 ? 80  GLU   A C   1 
ATOM   624  O O   . GLU   A 1 81  ? -4.905 -7.558  15.628  1.00 43.86 ? 80  GLU   A O   1 
ATOM   625  C CB  . GLU   A 1 81  ? -5.266 -5.815  12.913  1.00 43.56 ? 80  GLU   A CB  1 
ATOM   626  C CG  . GLU   A 1 81  ? -5.556 -6.716  11.732  1.00 50.05 ? 80  GLU   A CG  1 
ATOM   627  C CD  . GLU   A 1 81  ? -6.678 -6.249  10.825  1.00 58.36 ? 80  GLU   A CD  1 
ATOM   628  O OE1 . GLU   A 1 81  ? -6.903 -6.908  9.782   1.00 60.36 ? 80  GLU   A OE1 1 
ATOM   629  O OE2 . GLU   A 1 81  ? -7.332 -5.229  11.149  1.00 60.62 ? 80  GLU   A OE2 1 
ATOM   630  N N   . ASP   A 1 82  ? -4.102 -8.801  13.906  1.00 43.19 ? 81  ASP   A N   1 
ATOM   631  C CA  . ASP   A 1 82  ? -4.377 -10.072 14.611  1.00 43.29 ? 81  ASP   A CA  1 
ATOM   632  C C   . ASP   A 1 82  ? -3.530 -10.260 15.909  1.00 42.70 ? 81  ASP   A C   1 
ATOM   633  O O   . ASP   A 1 82  ? -3.669 -11.277 16.589  1.00 43.14 ? 81  ASP   A O   1 
ATOM   634  C CB  . ASP   A 1 82  ? -4.274 -11.303 13.682  1.00 45.12 ? 81  ASP   A CB  1 
ATOM   635  C CG  . ASP   A 1 82  ? -2.873 -11.682 13.221  1.00 50.00 ? 81  ASP   A CG  1 
ATOM   636  O OD1 . ASP   A 1 82  ? -1.918 -10.958 13.567  1.00 50.12 ? 81  ASP   A OD1 1 
ATOM   637  O OD2 . ASP   A 1 82  ? -2.736 -12.699 12.490  1.00 52.25 ? 81  ASP   A OD2 1 
ATOM   638  N N   . GLY   A 1 83  ? -2.687 -9.270  16.231  1.00 41.54 ? 82  GLY   A N   1 
ATOM   639  C CA  . GLY   A 1 83  ? -1.835 -9.257  17.410  1.00 40.16 ? 82  GLY   A CA  1 
ATOM   640  C C   . GLY   A 1 83  ? -0.598 -10.126 17.329  1.00 38.25 ? 82  GLY   A C   1 
ATOM   641  O O   . GLY   A 1 83  ? 0.193  -10.139 18.286  1.00 38.84 ? 82  GLY   A O   1 
ATOM   642  N N   . ILE   A 1 84  ? -0.413 -10.877 16.217  1.00 35.61 ? 83  ILE   A N   1 
ATOM   643  C CA  . ILE   A 1 84  ? 0.760  -11.745 16.163  1.00 34.09 ? 83  ILE   A CA  1 
ATOM   644  C C   . ILE   A 1 84  ? 1.957  -10.947 15.590  1.00 31.57 ? 83  ILE   A C   1 
ATOM   645  O O   . ILE   A 1 84  ? 1.807  -10.115 14.702  1.00 31.58 ? 83  ILE   A O   1 
ATOM   646  C CB  . ILE   A 1 84  ? 0.571  -13.173 15.564  1.00 35.51 ? 83  ILE   A CB  1 
ATOM   647  C CG1 . ILE   A 1 84  ? 1.063  -13.325 14.148  1.00 37.44 ? 83  ILE   A CG1 1 
ATOM   648  C CG2 . ILE   A 1 84  ? -0.884 -13.680 15.676  1.00 35.83 ? 83  ILE   A CG2 1 
ATOM   649  C CD1 . ILE   A 1 84  ? 1.694  -14.673 13.982  1.00 39.67 ? 83  ILE   A CD1 1 
ATOM   650  N N   . ILE   A 1 85  ? 3.103  -11.147 16.203  1.00 29.32 ? 84  ILE   A N   1 
ATOM   651  C CA  . ILE   A 1 85  ? 4.349  -10.522 15.789  1.00 27.96 ? 84  ILE   A CA  1 
ATOM   652  C C   . ILE   A 1 85  ? 5.300  -11.647 15.464  1.00 25.70 ? 84  ILE   A C   1 
ATOM   653  O O   . ILE   A 1 85  ? 5.342  -12.656 16.173  1.00 26.39 ? 84  ILE   A O   1 
ATOM   654  C CB  . ILE   A 1 85  ? 4.931  -9.669  16.939  1.00 27.98 ? 84  ILE   A CB  1 
ATOM   655  C CG1 . ILE   A 1 85  ? 3.947  -8.584  17.369  1.00 28.93 ? 84  ILE   A CG1 1 
ATOM   656  C CG2 . ILE   A 1 85  ? 6.317  -9.090  16.586  1.00 28.47 ? 84  ILE   A CG2 1 
ATOM   657  C CD1 . ILE   A 1 85  ? 4.284  -7.956  18.706  1.00 30.99 ? 84  ILE   A CD1 1 
ATOM   658  N N   . ASN   A 1 86  ? 6.023  -11.523 14.347  1.00 23.40 ? 85  ASN   A N   1 
ATOM   659  C CA  . ASN   A 1 86  ? 7.058  -12.472 13.948  1.00 22.22 ? 85  ASN   A CA  1 
ATOM   660  C C   . ASN   A 1 86  ? 8.105  -11.656 13.137  1.00 21.29 ? 85  ASN   A C   1 
ATOM   661  O O   . ASN   A 1 86  ? 7.862  -10.466 12.812  1.00 20.41 ? 85  ASN   A O   1 
ATOM   662  C CB  . ASN   A 1 86  ? 6.505  -13.690 13.187  1.00 25.06 ? 85  ASN   A CB  1 
ATOM   663  C CG  . ASN   A 1 86  ? 5.759  -13.362 11.923  1.00 29.84 ? 85  ASN   A CG  1 
ATOM   664  O OD1 . ASN   A 1 86  ? 6.247  -12.622 11.065  1.00 29.10 ? 85  ASN   A OD1 1 
ATOM   665  N ND2 . ASN   A 1 86  ? 4.536  -13.885 11.794  1.00 30.89 ? 85  ASN   A ND2 1 
ATOM   666  N N   . TRP   A 1 87  ? 9.265  -12.244 12.920  1.00 21.18 ? 86  TRP   A N   1 
ATOM   667  C CA  . TRP   A 1 87  ? 10.340 -11.528 12.239  1.00 21.41 ? 86  TRP   A CA  1 
ATOM   668  C C   . TRP   A 1 87  ? 9.992  -11.121 10.790  1.00 21.93 ? 86  TRP   A C   1 
ATOM   669  O O   . TRP   A 1 87  ? 10.392 -10.020 10.364  1.00 20.69 ? 86  TRP   A O   1 
ATOM   670  C CB  . TRP   A 1 87  ? 11.667 -12.303 12.298  1.00 21.66 ? 86  TRP   A CB  1 
ATOM   671  C CG  . TRP   A 1 87  ? 12.345 -12.314 13.641  1.00 22.42 ? 86  TRP   A CG  1 
ATOM   672  C CD1 . TRP   A 1 87  ? 12.578 -13.410 14.424  1.00 23.31 ? 86  TRP   A CD1 1 
ATOM   673  C CD2 . TRP   A 1 87  ? 12.833 -11.181 14.383  1.00 22.78 ? 86  TRP   A CD2 1 
ATOM   674  N NE1 . TRP   A 1 87  ? 13.276 -13.042 15.555  1.00 23.57 ? 86  TRP   A NE1 1 
ATOM   675  C CE2 . TRP   A 1 87  ? 13.392 -11.677 15.584  1.00 23.80 ? 86  TRP   A CE2 1 
ATOM   676  C CE3 . TRP   A 1 87  ? 12.809 -9.792  14.179  1.00 23.35 ? 86  TRP   A CE3 1 
ATOM   677  C CZ2 . TRP   A 1 87  ? 13.984 -10.838 16.533  1.00 24.22 ? 86  TRP   A CZ2 1 
ATOM   678  C CZ3 . TRP   A 1 87  ? 13.362 -8.970  15.138  1.00 24.59 ? 86  TRP   A CZ3 1 
ATOM   679  C CH2 . TRP   A 1 87  ? 13.986 -9.499  16.272  1.00 24.63 ? 86  TRP   A CH2 1 
ATOM   680  N N   . GLY   A 1 88  ? 9.222  -11.942 10.057  1.00 21.33 ? 87  GLY   A N   1 
ATOM   681  C CA  . GLY   A 1 88  ? 8.845  -11.571 8.680   1.00 21.72 ? 87  GLY   A CA  1 
ATOM   682  C C   . GLY   A 1 88  ? 7.992  -10.314 8.664   1.00 21.45 ? 87  GLY   A C   1 
ATOM   683  O O   . GLY   A 1 88  ? 8.147  -9.438  7.784   1.00 21.96 ? 87  GLY   A O   1 
ATOM   684  N N   . ARG   A 1 89  ? 7.110  -10.162 9.687   1.00 20.78 ? 88  ARG   A N   1 
ATOM   685  C CA  . ARG   A 1 89  ? 6.295  -8.949  9.757   1.00 21.26 ? 88  ARG   A CA  1 
ATOM   686  C C   . ARG   A 1 89  ? 7.181  -7.722  10.080  1.00 20.89 ? 88  ARG   A C   1 
ATOM   687  O O   . ARG   A 1 89  ? 6.946  -6.640  9.556   1.00 20.93 ? 88  ARG   A O   1 
ATOM   688  C CB  . ARG   A 1 89  ? 5.197  -9.113  10.802  1.00 22.89 ? 88  ARG   A CB  1 
ATOM   689  C CG  . ARG   A 1 89  ? 4.124  -10.070 10.266  1.00 28.18 ? 88  ARG   A CG  1 
ATOM   690  C CD  . ARG   A 1 89  ? 2.917  -10.091 11.168  1.00 33.14 ? 88  ARG   A CD  1 
ATOM   691  N NE  . ARG   A 1 89  ? 1.936  -11.082 10.729  1.00 39.39 ? 88  ARG   A NE  1 
ATOM   692  C CZ  . ARG   A 1 89  ? 0.713  -11.200 11.244  1.00 42.93 ? 88  ARG   A CZ  1 
ATOM   693  N NH1 . ARG   A 1 89  ? 0.309  -10.383 12.211  1.00 40.87 ? 88  ARG   A NH1 1 
ATOM   694  N NH2 . ARG   A 1 89  ? -0.126 -12.118 10.775  1.00 43.89 ? 88  ARG   A NH2 1 
ATOM   695  N N   . ILE   A 1 90  ? 8.201  -7.924  10.917  1.00 19.63 ? 89  ILE   A N   1 
ATOM   696  C CA  . ILE   A 1 90  ? 9.102  -6.813  11.264  1.00 19.38 ? 89  ILE   A CA  1 
ATOM   697  C C   . ILE   A 1 90  ? 9.940  -6.418  10.043  1.00 18.61 ? 89  ILE   A C   1 
ATOM   698  O O   . ILE   A 1 90  ? 10.075 -5.220  9.785   1.00 18.58 ? 89  ILE   A O   1 
ATOM   699  C CB  . ILE   A 1 90  ? 9.934  -7.160  12.517  1.00 20.05 ? 89  ILE   A CB  1 
ATOM   700  C CG1 . ILE   A 1 90  ? 8.989  -7.072  13.783  1.00 20.62 ? 89  ILE   A CG1 1 
ATOM   701  C CG2 . ILE   A 1 90  ? 11.109 -6.181  12.701  1.00 20.10 ? 89  ILE   A CG2 1 
ATOM   702  C CD1 . ILE   A 1 90  ? 9.662  -7.668  14.984  1.00 23.19 ? 89  ILE   A CD1 1 
ATOM   703  N N   . VAL   A 1 91  ? 10.400 -7.392  9.225   1.00 18.16 ? 90  VAL   A N   1 
ATOM   704  C CA  . VAL   A 1 91  ? 11.122 -7.037  7.967   1.00 17.47 ? 90  VAL   A CA  1 
ATOM   705  C C   . VAL   A 1 91  ? 10.232 -6.185  7.042   1.00 17.66 ? 90  VAL   A C   1 
ATOM   706  O O   . VAL   A 1 91  ? 10.705 -5.233  6.396   1.00 16.46 ? 90  VAL   A O   1 
ATOM   707  C CB  . VAL   A 1 91  ? 11.584 -8.314  7.213   1.00 18.53 ? 90  VAL   A CB  1 
ATOM   708  C CG1 . VAL   A 1 91  ? 12.051 -7.971  5.782   1.00 19.22 ? 90  VAL   A CG1 1 
ATOM   709  C CG2 . VAL   A 1 91  ? 12.687 -9.012  7.995   1.00 18.14 ? 90  VAL   A CG2 1 
ATOM   710  N N   . THR   A 1 92  ? 8.905  -6.511  6.999   1.00 18.02 ? 91  THR   A N   1 
ATOM   711  C CA  . THR   A 1 92  ? 7.930  -5.751  6.189   1.00 18.82 ? 91  THR   A CA  1 
ATOM   712  C C   . THR   A 1 92  ? 7.898  -4.264  6.559   1.00 17.91 ? 91  THR   A C   1 
ATOM   713  O O   . THR   A 1 92  ? 7.614  -3.396  5.705   1.00 19.25 ? 91  THR   A O   1 
ATOM   714  C CB  . THR   A 1 92  ? 6.522  -6.390  6.318   1.00 22.90 ? 91  THR   A CB  1 
ATOM   715  O OG1 . THR   A 1 92  ? 6.592  -7.692  5.705   1.00 24.44 ? 91  THR   A OG1 1 
ATOM   716  C CG2 . THR   A 1 92  ? 5.433  -5.570  5.616   1.00 24.43 ? 91  THR   A CG2 1 
ATOM   717  N N   . ILE   A 1 93  ? 8.150  -3.940  7.865   1.00 15.71 ? 92  ILE   A N   1 
ATOM   718  C CA  . ILE   A 1 93  ? 8.154  -2.523  8.275   1.00 16.11 ? 92  ILE   A CA  1 
ATOM   719  C C   . ILE   A 1 93  ? 9.275  -1.780  7.546   1.00 15.73 ? 92  ILE   A C   1 
ATOM   720  O O   . ILE   A 1 93  ? 9.055  -0.673  7.060   1.00 16.35 ? 92  ILE   A O   1 
ATOM   721  C CB  . ILE   A 1 93  ? 8.382  -2.420  9.799   1.00 17.83 ? 92  ILE   A CB  1 
ATOM   722  C CG1 . ILE   A 1 93  ? 7.205  -3.107  10.543  1.00 18.68 ? 92  ILE   A CG1 1 
ATOM   723  C CG2 . ILE   A 1 93  ? 8.554  -0.949  10.228  1.00 18.31 ? 92  ILE   A CG2 1 
ATOM   724  C CD1 . ILE   A 1 93  ? 7.472  -3.191  12.044  1.00 20.10 ? 92  ILE   A CD1 1 
ATOM   725  N N   . PHE   A 1 94  ? 10.475 -2.393  7.507   1.00 15.45 ? 93  PHE   A N   1 
ATOM   726  C CA  . PHE   A 1 94  ? 11.609 -1.746  6.827   1.00 15.50 ? 93  PHE   A CA  1 
ATOM   727  C C   . PHE   A 1 94  ? 11.350 -1.690  5.306   1.00 15.39 ? 93  PHE   A C   1 
ATOM   728  O O   . PHE   A 1 94  ? 11.587 -0.679  4.667   1.00 16.05 ? 93  PHE   A O   1 
ATOM   729  C CB  . PHE   A 1 94  ? 12.872 -2.580  7.059   1.00 14.14 ? 93  PHE   A CB  1 
ATOM   730  C CG  . PHE   A 1 94  ? 13.314 -2.435  8.496   1.00 14.22 ? 93  PHE   A CG  1 
ATOM   731  C CD1 . PHE   A 1 94  ? 14.114 -1.365  8.890   1.00 15.65 ? 93  PHE   A CD1 1 
ATOM   732  C CD2 . PHE   A 1 94  ? 12.903 -3.352  9.460   1.00 15.28 ? 93  PHE   A CD2 1 
ATOM   733  C CE1 . PHE   A 1 94  ? 14.577 -1.280  10.192  1.00 16.20 ? 93  PHE   A CE1 1 
ATOM   734  C CE2 . PHE   A 1 94  ? 13.298 -3.208  10.775  1.00 16.10 ? 93  PHE   A CE2 1 
ATOM   735  C CZ  . PHE   A 1 94  ? 14.112 -2.165  11.130  1.00 16.62 ? 93  PHE   A CZ  1 
ATOM   736  N N   . ALA   A 1 95  ? 10.834 -2.779  4.732   1.00 16.35 ? 94  ALA   A N   1 
ATOM   737  C CA  . ALA   A 1 95  ? 10.523 -2.821  3.305   1.00 18.03 ? 94  ALA   A CA  1 
ATOM   738  C C   . ALA   A 1 95  ? 9.573  -1.665  2.941   1.00 18.51 ? 94  ALA   A C   1 
ATOM   739  O O   . ALA   A 1 95  ? 9.858  -0.876  2.041   1.00 18.50 ? 94  ALA   A O   1 
ATOM   740  C CB  . ALA   A 1 95  ? 9.924  -4.179  2.943   1.00 18.70 ? 94  ALA   A CB  1 
ATOM   741  N N   . PHE   A 1 96  ? 8.548  -1.437  3.801   1.00 18.04 ? 95  PHE   A N   1 
ATOM   742  C CA  . PHE   A 1 96  ? 7.589  -0.382  3.535   1.00 18.18 ? 95  PHE   A CA  1 
ATOM   743  C C   . PHE   A 1 96  ? 8.178  1.018   3.676   1.00 18.24 ? 95  PHE   A C   1 
ATOM   744  O O   . PHE   A 1 96  ? 7.883  1.907   2.857   1.00 19.44 ? 95  PHE   A O   1 
ATOM   745  C CB  . PHE   A 1 96  ? 6.311  -0.564  4.378   1.00 20.43 ? 95  PHE   A CB  1 
ATOM   746  C CG  . PHE   A 1 96  ? 5.178  0.157   3.689   1.00 22.67 ? 95  PHE   A CG  1 
ATOM   747  C CD1 . PHE   A 1 96  ? 4.726  -0.261  2.454   1.00 24.49 ? 95  PHE   A CD1 1 
ATOM   748  C CD2 . PHE   A 1 96  ? 4.615  1.294   4.250   1.00 24.69 ? 95  PHE   A CD2 1 
ATOM   749  C CE1 . PHE   A 1 96  ? 3.734  0.458   1.779   1.00 26.22 ? 95  PHE   A CE1 1 
ATOM   750  C CE2 . PHE   A 1 96  ? 3.608  1.996   3.578   1.00 26.01 ? 95  PHE   A CE2 1 
ATOM   751  C CZ  . PHE   A 1 96  ? 3.170  1.562   2.356   1.00 26.08 ? 95  PHE   A CZ  1 
ATOM   752  N N   . GLU   A 1 97  ? 9.062  1.244   4.662   1.00 16.72 ? 96  GLU   A N   1 
ATOM   753  C CA  . GLU   A 1 97  ? 9.713  2.545   4.761   1.00 17.02 ? 96  GLU   A CA  1 
ATOM   754  C C   . GLU   A 1 97  ? 10.606 2.793   3.506   1.00 16.39 ? 96  GLU   A C   1 
ATOM   755  O O   . GLU   A 1 97  ? 10.665 3.946   3.045   1.00 18.12 ? 96  GLU   A O   1 
ATOM   756  C CB  . GLU   A 1 97  ? 10.460 2.771   6.080   1.00 19.06 ? 96  GLU   A CB  1 
ATOM   757  C CG  . GLU   A 1 97  ? 11.724 1.982   6.231   1.00 19.68 ? 96  GLU   A CG  1 
ATOM   758  C CD  . GLU   A 1 97  ? 12.792 2.648   7.090   1.00 23.98 ? 96  GLU   A CD  1 
ATOM   759  O OE1 . GLU   A 1 97  ? 13.898 2.082   7.200   1.00 17.98 ? 96  GLU   A OE1 1 
ATOM   760  O OE2 . GLU   A 1 97  ? 12.528 3.729   7.652   1.00 26.75 ? 96  GLU   A OE2 1 
ATOM   761  N N   . GLY   A 1 98  ? 11.174 1.748   2.919   1.00 16.18 ? 97  GLY   A N   1 
ATOM   762  C CA  . GLY   A 1 98  ? 11.966 1.890   1.688   1.00 16.60 ? 97  GLY   A CA  1 
ATOM   763  C C   . GLY   A 1 98  ? 11.072 2.353   0.538   1.00 18.67 ? 97  GLY   A C   1 
ATOM   764  O O   . GLY   A 1 98  ? 11.422 3.261   -0.229  1.00 19.34 ? 97  GLY   A O   1 
ATOM   765  N N   . ILE   A 1 99  ? 9.854  1.795   0.464   1.00 18.73 ? 98  ILE   A N   1 
ATOM   766  C CA  . ILE   A 1 99  ? 8.893  2.205   -0.564  1.00 20.40 ? 98  ILE   A CA  1 
ATOM   767  C C   . ILE   A 1 99  ? 8.497  3.660   -0.347  1.00 19.33 ? 98  ILE   A C   1 
ATOM   768  O O   . ILE   A 1 99  ? 8.394  4.425   -1.311  1.00 21.50 ? 98  ILE   A O   1 
ATOM   769  C CB  . ILE   A 1 99  ? 7.645  1.268   -0.559  1.00 21.86 ? 98  ILE   A CB  1 
ATOM   770  C CG1 . ILE   A 1 99  ? 8.052  -0.153  -0.970  1.00 23.01 ? 98  ILE   A CG1 1 
ATOM   771  C CG2 . ILE   A 1 99  ? 6.539  1.781   -1.497  1.00 23.83 ? 98  ILE   A CG2 1 
ATOM   772  C CD1 . ILE   A 1 99  ? 6.912  -1.213  -0.876  1.00 25.25 ? 98  ILE   A CD1 1 
ATOM   773  N N   . LEU   A 1 100 ? 8.282  4.067   0.908   1.00 19.70 ? 99  LEU   A N   1 
ATOM   774  C CA  . LEU   A 1 100 ? 7.878  5.439   1.200   1.00 20.16 ? 99  LEU   A CA  1 
ATOM   775  C C   . LEU   A 1 100 ? 8.960  6.414   0.825   1.00 21.26 ? 99  LEU   A C   1 
ATOM   776  O O   . LEU   A 1 100 ? 8.650  7.456   0.234   1.00 21.73 ? 99  LEU   A O   1 
ATOM   777  C CB  . LEU   A 1 100 ? 7.457  5.635   2.639   1.00 21.07 ? 99  LEU   A CB  1 
ATOM   778  C CG  . LEU   A 1 100 ? 6.224  4.822   3.045   1.00 22.49 ? 99  LEU   A CG  1 
ATOM   779  C CD1 . LEU   A 1 100 ? 6.004  4.935   4.538   1.00 23.54 ? 99  LEU   A CD1 1 
ATOM   780  C CD2 . LEU   A 1 100 ? 5.009  5.262   2.232   1.00 23.59 ? 99  LEU   A CD2 1 
ATOM   781  N N   . ILE   A 1 101 ? 10.240 6.091   1.115   1.00 20.85 ? 100 ILE   A N   1 
ATOM   782  C CA  . ILE   A 1 101 ? 11.315 7.028   0.776   1.00 21.88 ? 100 ILE   A CA  1 
ATOM   783  C C   . ILE   A 1 101 ? 11.457 7.184   -0.752  1.00 22.31 ? 100 ILE   A C   1 
ATOM   784  O O   . ILE   A 1 101 ? 11.709 8.316   -1.215  1.00 24.47 ? 100 ILE   A O   1 
ATOM   785  C CB  . ILE   A 1 101 ? 12.649 6.749   1.497   1.00 23.69 ? 100 ILE   A CB  1 
ATOM   786  C CG1 . ILE   A 1 101 ? 13.480 8.058   1.625   1.00 25.74 ? 100 ILE   A CG1 1 
ATOM   787  C CG2 . ILE   A 1 101 ? 13.439 5.691   0.817   1.00 24.77 ? 100 ILE   A CG2 1 
ATOM   788  C CD1 . ILE   A 1 101 ? 12.760 9.154   2.474   1.00 26.40 ? 100 ILE   A CD1 1 
ATOM   789  N N   . LYS   A 1 102 ? 11.220 6.123   -1.531  1.00 22.48 ? 101 LYS   A N   1 
ATOM   790  C CA  . LYS   A 1 102 ? 11.268 6.191   -3.006  1.00 22.84 ? 101 LYS   A CA  1 
ATOM   791  C C   . LYS   A 1 102 ? 10.177 7.101   -3.496  1.00 25.69 ? 101 LYS   A C   1 
ATOM   792  O O   . LYS   A 1 102 ? 10.441 8.013   -4.288  1.00 26.54 ? 101 LYS   A O   1 
ATOM   793  C CB  . LYS   A 1 102 ? 11.059 4.810   -3.633  1.00 24.04 ? 101 LYS   A CB  1 
ATOM   794  C CG  . LYS   A 1 102 ? 12.260 3.911   -3.480  1.00 27.30 ? 101 LYS   A CG  1 
ATOM   795  C CD  . LYS   A 1 102 ? 11.999 2.559   -4.062  1.00 31.28 ? 101 LYS   A CD  1 
ATOM   796  C CE  . LYS   A 1 102 ? 11.733 2.580   -5.534  1.00 33.88 ? 101 LYS   A CE  1 
ATOM   797  N NZ  . LYS   A 1 102 ? 11.821 1.215   -6.119  1.00 35.98 ? 101 LYS   A NZ  1 
ATOM   798  N N   . LYS   A 1 103 ? 8.957  6.904   -2.981  1.00 26.56 ? 102 LYS   A N   1 
ATOM   799  C CA  . LYS   A 1 103 ? 7.809  7.702   -3.362  1.00 28.32 ? 102 LYS   A CA  1 
ATOM   800  C C   . LYS   A 1 103 ? 7.982  9.166   -2.990  1.00 29.00 ? 102 LYS   A C   1 
ATOM   801  O O   . LYS   A 1 103 ? 7.628  10.039  -3.788  1.00 30.56 ? 102 LYS   A O   1 
ATOM   802  C CB  . LYS   A 1 103 ? 6.528  7.116   -2.758  1.00 30.02 ? 102 LYS   A CB  1 
ATOM   803  C CG  . LYS   A 1 103 ? 6.153  5.783   -3.370  1.00 34.48 ? 102 LYS   A CG  1 
ATOM   804  C CD  . LYS   A 1 103 ? 5.288  5.966   -4.627  1.00 39.24 ? 102 LYS   A CD  1 
ATOM   805  C CE  . LYS   A 1 103 ? 3.883  6.359   -4.209  1.00 43.72 ? 102 LYS   A CE  1 
ATOM   806  N NZ  . LYS   A 1 103 ? 2.931  6.410   -5.355  1.00 45.04 ? 102 LYS   A NZ  1 
ATOM   807  N N   . LEU   A 1 104 ? 8.557  9.454   -1.824  1.00 27.95 ? 103 LEU   A N   1 
ATOM   808  C CA  . LEU   A 1 104 ? 8.800  10.823  -1.402  1.00 28.26 ? 103 LEU   A CA  1 
ATOM   809  C C   . LEU   A 1 104 ? 9.880  11.458  -2.274  1.00 29.71 ? 103 LEU   A C   1 
ATOM   810  O O   . LEU   A 1 104 ? 9.717  12.602  -2.706  1.00 29.90 ? 103 LEU   A O   1 
ATOM   811  C CB  . LEU   A 1 104 ? 9.255  10.864  0.052   1.00 28.14 ? 103 LEU   A CB  1 
ATOM   812  C CG  . LEU   A 1 104 ? 8.130  10.764  1.022   1.00 29.06 ? 103 LEU   A CG  1 
ATOM   813  C CD1 . LEU   A 1 104 ? 8.626  10.248  2.344   1.00 29.52 ? 103 LEU   A CD1 1 
ATOM   814  C CD2 . LEU   A 1 104 ? 7.421  12.134  1.152   1.00 28.30 ? 103 LEU   A CD2 1 
ATOM   815  N N   . LEU   A 1 105 ? 10.943 10.719  -2.612  1.00 29.63 ? 104 LEU   A N   1 
ATOM   816  C CA  . LEU   A 1 105 ? 12.021 11.281  -3.453  1.00 31.58 ? 104 LEU   A CA  1 
ATOM   817  C C   . LEU   A 1 105 ? 11.469 11.848  -4.771  1.00 33.71 ? 104 LEU   A C   1 
ATOM   818  O O   . LEU   A 1 105 ? 11.872 12.920  -5.197  1.00 35.11 ? 104 LEU   A O   1 
ATOM   819  C CB  . LEU   A 1 105 ? 13.053 10.185  -3.768  1.00 31.65 ? 104 LEU   A CB  1 
ATOM   820  C CG  . LEU   A 1 105 ? 14.197 10.656  -4.668  1.00 32.60 ? 104 LEU   A CG  1 
ATOM   821  C CD1 . LEU   A 1 105 ? 15.045 11.637  -3.953  1.00 32.65 ? 104 LEU   A CD1 1 
ATOM   822  C CD2 . LEU   A 1 105 ? 15.003 9.501   -5.151  1.00 33.60 ? 104 LEU   A CD2 1 
ATOM   823  N N   . ARG   A 1 106 ? 10.497 11.164  -5.352  1.00 34.65 ? 105 ARG   A N   1 
ATOM   824  C CA  . ARG   A 1 106 ? 9.922  11.563  -6.620  1.00 37.49 ? 105 ARG   A CA  1 
ATOM   825  C C   . ARG   A 1 106 ? 8.789  12.549  -6.468  1.00 38.54 ? 105 ARG   A C   1 
ATOM   826  O O   . ARG   A 1 106 ? 8.710  13.498  -7.256  1.00 39.83 ? 105 ARG   A O   1 
ATOM   827  C CB  . ARG   A 1 106 ? 9.426  10.308  -7.354  1.00 41.40 ? 105 ARG   A CB  1 
ATOM   828  C CG  . ARG   A 1 106 ? 8.827  10.546  -8.732  1.00 48.49 ? 105 ARG   A CG  1 
ATOM   829  C CD  . ARG   A 1 106 ? 9.843  10.368  -9.849  1.00 54.67 ? 105 ARG   A CD  1 
ATOM   830  N NE  . ARG   A 1 106 ? 9.190  10.153  -11.143 1.00 59.57 ? 105 ARG   A NE  1 
ATOM   831  C CZ  . ARG   A 1 106 ? 8.958  11.107  -12.039 1.00 63.46 ? 105 ARG   A CZ  1 
ATOM   832  N NH1 . ARG   A 1 106 ? 9.332  12.358  -11.799 1.00 63.24 ? 105 ARG   A NH1 1 
ATOM   833  N NH2 . ARG   A 1 106 ? 8.351  10.818  -13.184 1.00 64.01 ? 105 ARG   A NH2 1 
ATOM   834  N N   . GLN   A 1 107 ? 7.936  12.369  -5.437  1.00 37.69 ? 106 GLN   A N   1 
ATOM   835  C CA  . GLN   A 1 107 ? 6.690  13.120  -5.276  1.00 37.85 ? 106 GLN   A CA  1 
ATOM   836  C C   . GLN   A 1 107 ? 6.574  14.152  -4.153  1.00 38.05 ? 106 GLN   A C   1 
ATOM   837  O O   . GLN   A 1 107 ? 5.551  14.817  -4.111  1.00 39.04 ? 106 GLN   A O   1 
ATOM   838  C CB  . GLN   A 1 107 ? 5.521  12.140  -5.120  1.00 38.83 ? 106 GLN   A CB  1 
ATOM   839  C CG  . GLN   A 1 107 ? 5.437  11.178  -6.288  1.00 44.07 ? 106 GLN   A CG  1 
ATOM   840  C CD  . GLN   A 1 107 ? 4.496  10.056  -6.042  1.00 49.76 ? 106 GLN   A CD  1 
ATOM   841  O OE1 . GLN   A 1 107 ? 4.319  9.605   -4.908  1.00 51.56 ? 106 GLN   A OE1 1 
ATOM   842  N NE2 . GLN   A 1 107 ? 3.879  9.563   -7.109  1.00 51.37 ? 106 GLN   A NE2 1 
ATOM   843  N N   . GLN   A 1 108 ? 7.544  14.295  -3.256  1.00 37.44 ? 107 GLN   A N   1 
ATOM   844  C CA  . GLN   A 1 108 ? 7.451  15.249  -2.145  1.00 37.96 ? 107 GLN   A CA  1 
ATOM   845  C C   . GLN   A 1 108 ? 7.416  16.665  -2.712  1.00 38.21 ? 107 GLN   A C   1 
ATOM   846  O O   . GLN   A 1 108 ? 8.271  16.986  -3.528  1.00 38.23 ? 107 GLN   A O   1 
ATOM   847  C CB  . GLN   A 1 108 ? 8.658  15.074  -1.205  1.00 39.76 ? 107 GLN   A CB  1 
ATOM   848  C CG  . GLN   A 1 108 ? 8.847  16.189  -0.192  1.00 43.59 ? 107 GLN   A CG  1 
ATOM   849  C CD  . GLN   A 1 108 ? 9.629  15.726  1.007   1.00 48.35 ? 107 GLN   A CD  1 
ATOM   850  O OE1 . GLN   A 1 108 ? 10.688 15.091  0.882   1.00 51.52 ? 107 GLN   A OE1 1 
ATOM   851  N NE2 . GLN   A 1 108 ? 9.127  16.035  2.196   1.00 47.03 ? 107 GLN   A NE2 1 
ATOM   852  N N   . ILE   A 1 109 ? 6.437  17.495  -2.318  1.00 38.61 ? 108 ILE   A N   1 
ATOM   853  C CA  . ILE   A 1 109 ? 6.366  18.861  -2.871  1.00 39.64 ? 108 ILE   A CA  1 
ATOM   854  C C   . ILE   A 1 109 ? 7.611  19.729  -2.534  1.00 40.89 ? 108 ILE   A C   1 
ATOM   855  O O   . ILE   A 1 109 ? 8.122  20.411  -3.423  1.00 41.70 ? 108 ILE   A O   1 
ATOM   856  C CB  . ILE   A 1 109 ? 5.040  19.558  -2.496  1.00 40.27 ? 108 ILE   A CB  1 
ATOM   857  C CG1 . ILE   A 1 109 ? 3.883  18.848  -3.202  1.00 41.82 ? 108 ILE   A CG1 1 
ATOM   858  C CG2 . ILE   A 1 109 ? 5.059  21.035  -2.878  1.00 40.76 ? 108 ILE   A CG2 1 
ATOM   859  C CD1 . ILE   A 1 109 ? 2.506  19.089  -2.593  1.00 43.34 ? 108 ILE   A CD1 1 
ATOM   860  N N   . ALA   A 1 110 ? 8.080  19.724  -1.289  1.00 41.34 ? 109 ALA   A N   1 
ATOM   861  C CA  . ALA   A 1 110 ? 9.224  20.553  -0.902  1.00 42.72 ? 109 ALA   A CA  1 
ATOM   862  C C   . ALA   A 1 110 ? 10.353 19.642  -0.447  1.00 43.98 ? 109 ALA   A C   1 
ATOM   863  O O   . ALA   A 1 110 ? 10.373 19.253  0.717   1.00 44.88 ? 109 ALA   A O   1 
ATOM   864  C CB  . ALA   A 1 110 ? 8.819  21.481  0.228   1.00 42.87 ? 109 ALA   A CB  1 
ATOM   865  N N   . PRO   A 1 111 ? 11.256 19.240  -1.368  1.00 43.79 ? 110 PRO   A N   1 
ATOM   866  C CA  . PRO   A 1 111 ? 12.320 18.290  -1.004  1.00 43.04 ? 110 PRO   A CA  1 
ATOM   867  C C   . PRO   A 1 111 ? 13.209 18.792  0.096   1.00 42.23 ? 110 PRO   A C   1 
ATOM   868  O O   . PRO   A 1 111 ? 13.471 19.982  0.185   1.00 42.77 ? 110 PRO   A O   1 
ATOM   869  C CB  . PRO   A 1 111 ? 13.135 18.150  -2.295  1.00 43.97 ? 110 PRO   A CB  1 
ATOM   870  C CG  . PRO   A 1 111 ? 12.239 18.583  -3.366  1.00 44.83 ? 110 PRO   A CG  1 
ATOM   871  C CD  . PRO   A 1 111 ? 11.334 19.614  -2.792  1.00 43.22 ? 110 PRO   A CD  1 
ATOM   872  N N   . ASP   A 1 112 ? 13.657 17.884  0.948   1.00 41.00 ? 111 ASP   A N   1 
ATOM   873  C CA  . ASP   A 1 112 ? 14.533 18.224  2.066   1.00 40.62 ? 111 ASP   A CA  1 
ATOM   874  C C   . ASP   A 1 112 ? 15.495 17.034  2.203   1.00 39.00 ? 111 ASP   A C   1 
ATOM   875  O O   . ASP   A 1 112 ? 15.038 15.886  2.196   1.00 38.96 ? 111 ASP   A O   1 
ATOM   876  C CB  . ASP   A 1 112 ? 13.672 18.389  3.334   1.00 43.55 ? 111 ASP   A CB  1 
ATOM   877  C CG  . ASP   A 1 112 ? 14.414 18.752  4.597   1.00 51.33 ? 111 ASP   A CG  1 
ATOM   878  O OD1 . ASP   A 1 112 ? 15.590 19.160  4.497   1.00 52.19 ? 111 ASP   A OD1 1 
ATOM   879  O OD2 . ASP   A 1 112 ? 13.812 18.636  5.695   1.00 55.31 ? 111 ASP   A OD2 1 
ATOM   880  N N   . VAL   A 1 113 ? 16.809 17.288  2.289   1.00 37.06 ? 112 VAL   A N   1 
ATOM   881  C CA  . VAL   A 1 113 ? 17.772 16.191  2.415   1.00 36.62 ? 112 VAL   A CA  1 
ATOM   882  C C   . VAL   A 1 113 ? 17.652 15.401  3.733   1.00 36.13 ? 112 VAL   A C   1 
ATOM   883  O O   . VAL   A 1 113 ? 18.255 14.331  3.851   1.00 36.33 ? 112 VAL   A O   1 
ATOM   884  C CB  . VAL   A 1 113 ? 19.226 16.649  2.188   1.00 37.23 ? 112 VAL   A CB  1 
ATOM   885  C CG1 . VAL   A 1 113 ? 19.447 17.040  0.732   1.00 38.50 ? 112 VAL   A CG1 1 
ATOM   886  C CG2 . VAL   A 1 113 ? 19.597 17.781  3.132   1.00 37.60 ? 112 VAL   A CG2 1 
ATOM   887  N N   . ASP   A 1 114 ? 16.948 15.940  4.725   1.00 35.43 ? 113 ASP   A N   1 
ATOM   888  C CA  . ASP   A 1 114 ? 16.798 15.247  5.997   1.00 36.15 ? 113 ASP   A CA  1 
ATOM   889  C C   . ASP   A 1 114 ? 15.510 14.427  6.088   1.00 34.96 ? 113 ASP   A C   1 
ATOM   890  O O   . ASP   A 1 114 ? 15.282 13.815  7.124   1.00 35.32 ? 113 ASP   A O   1 
ATOM   891  C CB  . ASP   A 1 114 ? 16.928 16.227  7.180   1.00 39.96 ? 113 ASP   A CB  1 
ATOM   892  C CG  . ASP   A 1 114 ? 18.372 16.568  7.539   1.00 46.13 ? 113 ASP   A CG  1 
ATOM   893  O OD1 . ASP   A 1 114 ? 19.288 15.830  7.103   1.00 46.57 ? 113 ASP   A OD1 1 
ATOM   894  O OD2 . ASP   A 1 114 ? 18.583 17.549  8.280   1.00 49.72 ? 113 ASP   A OD2 1 
ATOM   895  N N   . THR   A 1 115 ? 14.690 14.361  5.000   1.00 33.67 ? 114 THR   A N   1 
ATOM   896  C CA  . THR   A 1 115 ? 13.433 13.614  5.001   1.00 33.06 ? 114 THR   A CA  1 
ATOM   897  C C   . THR   A 1 115 ? 13.614 12.165  5.432   1.00 32.91 ? 114 THR   A C   1 
ATOM   898  O O   . THR   A 1 115 ? 12.773 11.672  6.178   1.00 32.83 ? 114 THR   A O   1 
ATOM   899  C CB  . THR   A 1 115 ? 12.705 13.730  3.661   1.00 34.99 ? 114 THR   A CB  1 
ATOM   900  O OG1 . THR   A 1 115 ? 12.378 15.098  3.413   1.00 35.55 ? 114 THR   A OG1 1 
ATOM   901  C CG2 . THR   A 1 115 ? 11.412 12.898  3.607   1.00 35.25 ? 114 THR   A CG2 1 
ATOM   902  N N   . TYR   A 1 116 ? 14.715 11.491  5.020   1.00 32.12 ? 115 TYR   A N   1 
ATOM   903  C CA  . TYR   A 1 116 ? 14.893 10.092  5.434   1.00 31.12 ? 115 TYR   A CA  1 
ATOM   904  C C   . TYR   A 1 116 ? 15.041 9.968   6.938   1.00 30.17 ? 115 TYR   A C   1 
ATOM   905  O O   . TYR   A 1 116 ? 14.603 8.966   7.500   1.00 31.00 ? 115 TYR   A O   1 
ATOM   906  C CB  . TYR   A 1 116 ? 16.017 9.354   4.674   1.00 30.75 ? 115 TYR   A CB  1 
ATOM   907  C CG  . TYR   A 1 116 ? 17.441 9.725   5.043   1.00 30.78 ? 115 TYR   A CG  1 
ATOM   908  C CD1 . TYR   A 1 116 ? 18.145 8.994   5.988   1.00 31.55 ? 115 TYR   A CD1 1 
ATOM   909  C CD2 . TYR   A 1 116 ? 18.137 10.697  4.330   1.00 30.61 ? 115 TYR   A CD2 1 
ATOM   910  C CE1 . TYR   A 1 116 ? 19.468 9.287   6.290   1.00 32.57 ? 115 TYR   A CE1 1 
ATOM   911  C CE2 . TYR   A 1 116 ? 19.472 10.969  4.593   1.00 31.65 ? 115 TYR   A CE2 1 
ATOM   912  C CZ  . TYR   A 1 116 ? 20.139 10.261  5.573   1.00 34.07 ? 115 TYR   A CZ  1 
ATOM   913  O OH  . TYR   A 1 116 ? 21.468 10.512  5.852   1.00 36.96 ? 115 TYR   A OH  1 
ATOM   914  N N   . LYS   A 1 117 ? 15.627 10.974  7.601   1.00 28.14 ? 116 LYS   A N   1 
ATOM   915  C CA  . LYS   A 1 117 ? 15.768 10.929  9.059   1.00 27.72 ? 116 LYS   A CA  1 
ATOM   916  C C   . LYS   A 1 117 ? 14.387 11.023  9.761   1.00 27.90 ? 116 LYS   A C   1 
ATOM   917  O O   . LYS   A 1 117 ? 14.194 10.452  10.834  1.00 28.19 ? 116 LYS   A O   1 
ATOM   918  C CB  . LYS   A 1 117 ? 16.716 12.035  9.540   1.00 29.46 ? 116 LYS   A CB  1 
ATOM   919  C CG  . LYS   A 1 117 ? 18.183 11.763  9.221   1.00 33.39 ? 116 LYS   A CG  1 
ATOM   920  C CD  . LYS   A 1 117 ? 19.104 12.836  9.781   1.00 38.35 ? 116 LYS   A CD  1 
ATOM   921  N N   . GLU   A 1 118 ? 13.426 11.733  9.155   1.00 27.09 ? 117 GLU   A N   1 
ATOM   922  C CA  . GLU   A 1 118 ? 12.087 11.882  9.752   1.00 26.36 ? 117 GLU   A CA  1 
ATOM   923  C C   . GLU   A 1 118 ? 11.286 10.616  9.595   1.00 25.46 ? 117 GLU   A C   1 
ATOM   924  O O   . GLU   A 1 118 ? 10.524 10.239  10.495  1.00 24.78 ? 117 GLU   A O   1 
ATOM   925  C CB  . GLU   A 1 118 ? 11.326 13.065  9.109   1.00 27.80 ? 117 GLU   A CB  1 
ATOM   926  C CG  . GLU   A 1 118 ? 11.967 14.412  9.345   1.00 32.12 ? 117 GLU   A CG  1 
ATOM   927  C CD  . GLU   A 1 118 ? 11.084 15.554  8.866   1.00 42.53 ? 117 GLU   A CD  1 
ATOM   928  O OE1 . GLU   A 1 118 ? 11.623 16.498  8.244   1.00 46.94 ? 117 GLU   A OE1 1 
ATOM   929  O OE2 . GLU   A 1 118 ? 9.853  15.496  9.095   1.00 42.24 ? 117 GLU   A OE2 1 
ATOM   930  N N   . ILE   A 1 119 ? 11.400 9.973   8.434   1.00 24.20 ? 118 ILE   A N   1 
ATOM   931  C CA  . ILE   A 1 119 ? 10.692 8.720   8.184   1.00 24.62 ? 118 ILE   A CA  1 
ATOM   932  C C   . ILE   A 1 119 ? 11.279 7.635   9.124   1.00 24.77 ? 118 ILE   A C   1 
ATOM   933  O O   . ILE   A 1 119 ? 10.525 6.885   9.745   1.00 23.70 ? 118 ILE   A O   1 
ATOM   934  C CB  . ILE   A 1 119 ? 10.882 8.291   6.715   1.00 25.07 ? 118 ILE   A CB  1 
ATOM   935  C CG1 . ILE   A 1 119 ? 10.318 9.329   5.733   1.00 26.62 ? 118 ILE   A CG1 1 
ATOM   936  C CG2 . ILE   A 1 119 ? 10.281 6.905   6.468   1.00 25.82 ? 118 ILE   A CG2 1 
ATOM   937  C CD1 . ILE   A 1 119 ? 8.819  9.506   5.866   1.00 28.31 ? 118 ILE   A CD1 1 
ATOM   938  N N   . SER   A 1 120 ? 12.629 7.600   9.252   1.00 25.58 ? 119 SER   A N   1 
ATOM   939  C CA  . SER   A 1 120 ? 13.337 6.631   10.114  1.00 25.44 ? 119 SER   A CA  1 
ATOM   940  C C   . SER   A 1 120 ? 12.880 6.757   11.548  1.00 23.42 ? 119 SER   A C   1 
ATOM   941  O O   . SER   A 1 120 ? 12.859 5.757   12.293  1.00 22.21 ? 119 SER   A O   1 
ATOM   942  C CB  . SER   A 1 120 ? 14.834 6.952   10.159  1.00 28.42 ? 119 SER   A CB  1 
ATOM   943  O OG  . SER   A 1 120 ? 15.461 6.880   8.906   1.00 30.81 ? 119 SER   A OG  1 
ATOM   944  N N   . TYR   A 1 121 ? 12.634 8.018   12.002  1.00 22.19 ? 120 TYR   A N   1 
ATOM   945  C CA  . TYR   A 1 121 ? 12.254 8.265   13.371  1.00 22.50 ? 120 TYR   A CA  1 
ATOM   946  C C   . TYR   A 1 121 ? 10.895 7.673   13.621  1.00 21.48 ? 120 TYR   A C   1 
ATOM   947  O O   . TYR   A 1 121 ? 10.755 6.917   14.584  1.00 22.35 ? 120 TYR   A O   1 
ATOM   948  C CB  . TYR   A 1 121 ? 12.285 9.793   13.711  1.00 24.04 ? 120 TYR   A CB  1 
ATOM   949  C CG  . TYR   A 1 121 ? 11.892 10.084  15.145  1.00 26.35 ? 120 TYR   A CG  1 
ATOM   950  C CD1 . TYR   A 1 121 ? 10.564 10.230  15.506  1.00 28.08 ? 120 TYR   A CD1 1 
ATOM   951  C CD2 . TYR   A 1 121 ? 12.854 10.264  16.131  1.00 27.61 ? 120 TYR   A CD2 1 
ATOM   952  C CE1 . TYR   A 1 121 ? 10.195 10.453  16.827  1.00 29.55 ? 120 TYR   A CE1 1 
ATOM   953  C CE2 . TYR   A 1 121 ? 12.499 10.545  17.443  1.00 29.21 ? 120 TYR   A CE2 1 
ATOM   954  C CZ  . TYR   A 1 121 ? 11.169 10.599  17.799  1.00 31.92 ? 120 TYR   A CZ  1 
ATOM   955  O OH  . TYR   A 1 121 ? 10.811 10.852  19.121  1.00 36.10 ? 120 TYR   A OH  1 
ATOM   956  N N   . PHE   A 1 122 ? 9.912  7.929   12.733  1.00 20.79 ? 121 PHE   A N   1 
ATOM   957  C CA  . PHE   A 1 122 ? 8.571  7.393   12.967  1.00 21.58 ? 121 PHE   A CA  1 
ATOM   958  C C   . PHE   A 1 122 ? 8.504  5.889   12.795  1.00 20.62 ? 121 PHE   A C   1 
ATOM   959  O O   . PHE   A 1 122 ? 7.731  5.238   13.475  1.00 20.60 ? 121 PHE   A O   1 
ATOM   960  C CB  . PHE   A 1 122 ? 7.466  8.120   12.189  1.00 22.73 ? 121 PHE   A CB  1 
ATOM   961  C CG  . PHE   A 1 122 ? 7.248  7.934   10.712  1.00 24.55 ? 121 PHE   A CG  1 
ATOM   962  C CD1 . PHE   A 1 122 ? 6.885  6.699   10.197  1.00 25.78 ? 121 PHE   A CD1 1 
ATOM   963  C CD2 . PHE   A 1 122 ? 7.151  9.036   9.872   1.00 26.60 ? 121 PHE   A CD2 1 
ATOM   964  C CE1 . PHE   A 1 122 ? 6.567  6.546   8.851   1.00 27.19 ? 121 PHE   A CE1 1 
ATOM   965  C CE2 . PHE   A 1 122 ? 6.830  8.882   8.529   1.00 27.17 ? 121 PHE   A CE2 1 
ATOM   966  C CZ  . PHE   A 1 122 ? 6.555  7.641   8.022   1.00 27.53 ? 121 PHE   A CZ  1 
ATOM   967  N N   . VAL   A 1 123 ? 9.382  5.320   11.952  1.00 19.24 ? 122 VAL   A N   1 
ATOM   968  C CA  . VAL   A 1 123 ? 9.474  3.872   11.823  1.00 18.29 ? 122 VAL   A CA  1 
ATOM   969  C C   . VAL   A 1 123 ? 10.043 3.283   13.118  1.00 17.51 ? 122 VAL   A C   1 
ATOM   970  O O   . VAL   A 1 123 ? 9.492  2.306   13.639  1.00 17.88 ? 122 VAL   A O   1 
ATOM   971  C CB  . VAL   A 1 123 ? 10.317 3.523   10.571  1.00 19.76 ? 122 VAL   A CB  1 
ATOM   972  C CG1 . VAL   A 1 123 ? 10.844 2.070   10.617  1.00 19.80 ? 122 VAL   A CG1 1 
ATOM   973  C CG2 . VAL   A 1 123 ? 9.479  3.771   9.322   1.00 20.50 ? 122 VAL   A CG2 1 
ATOM   974  N N   . ALA   A 1 124 ? 11.105 3.899   13.674  1.00 16.65 ? 123 ALA   A N   1 
ATOM   975  C CA  . ALA   A 1 124 ? 11.695 3.392   14.910  1.00 17.53 ? 123 ALA   A CA  1 
ATOM   976  C C   . ALA   A 1 124 ? 10.723 3.530   16.093  1.00 19.00 ? 123 ALA   A C   1 
ATOM   977  O O   . ALA   A 1 124 ? 10.633 2.636   16.925  1.00 20.76 ? 123 ALA   A O   1 
ATOM   978  C CB  . ALA   A 1 124 ? 12.995 4.101   15.211  1.00 18.78 ? 123 ALA   A CB  1 
ATOM   979  N N   . GLU   A 1 125 ? 9.928  4.612   16.101  1.00 19.03 ? 124 GLU   A N   1 
ATOM   980  C CA  . GLU   A 1 125 ? 8.902  4.806   17.134  1.00 20.95 ? 124 GLU   A CA  1 
ATOM   981  C C   . GLU   A 1 125 ? 7.861  3.644   17.046  1.00 21.06 ? 124 GLU   A C   1 
ATOM   982  O O   . GLU   A 1 125 ? 7.536  3.011   18.067  1.00 21.45 ? 124 GLU   A O   1 
ATOM   983  C CB  . GLU   A 1 125 ? 8.256  6.197   16.913  1.00 25.33 ? 124 GLU   A CB  1 
ATOM   984  C CG  . GLU   A 1 125 ? 7.159  6.539   17.903  1.00 34.76 ? 124 GLU   A CG  1 
ATOM   985  C CD  . GLU   A 1 125 ? 6.466  7.850   17.578  1.00 45.24 ? 124 GLU   A CD  1 
ATOM   986  O OE1 . GLU   A 1 125 ? 6.341  8.191   16.375  1.00 46.72 ? 124 GLU   A OE1 1 
ATOM   987  O OE2 . GLU   A 1 125 ? 6.055  8.542   18.538  1.00 48.89 ? 124 GLU   A OE2 1 
ATOM   988  N N   . PHE   A 1 126 ? 7.405  3.308   15.820  1.00 20.36 ? 125 PHE   A N   1 
ATOM   989  C CA  . PHE   A 1 126 ? 6.434  2.233   15.627  1.00 21.64 ? 125 PHE   A CA  1 
ATOM   990  C C   . PHE   A 1 126 ? 7.000  0.899   16.078  1.00 21.84 ? 125 PHE   A C   1 
ATOM   991  O O   . PHE   A 1 126 ? 6.332  0.149   16.798  1.00 23.20 ? 125 PHE   A O   1 
ATOM   992  C CB  . PHE   A 1 126 ? 5.924  2.174   14.162  1.00 22.41 ? 125 PHE   A CB  1 
ATOM   993  C CG  . PHE   A 1 126 ? 4.975  1.011   13.943  1.00 24.44 ? 125 PHE   A CG  1 
ATOM   994  C CD1 . PHE   A 1 126 ? 5.458  -0.255  13.651  1.00 25.55 ? 125 PHE   A CD1 1 
ATOM   995  C CD2 . PHE   A 1 126 ? 3.601  1.181   14.062  1.00 26.85 ? 125 PHE   A CD2 1 
ATOM   996  C CE1 . PHE   A 1 126 ? 4.596  -1.337  13.495  1.00 26.95 ? 125 PHE   A CE1 1 
ATOM   997  C CE2 . PHE   A 1 126 ? 2.739  0.090   13.926  1.00 27.64 ? 125 PHE   A CE2 1 
ATOM   998  C CZ  . PHE   A 1 126 ? 3.243  -1.161  13.645  1.00 27.56 ? 125 PHE   A CZ  1 
ATOM   999  N N   . ILE   A 1 127 ? 8.222  0.547   15.608  1.00 20.71 ? 126 ILE   A N   1 
ATOM   1000 C CA  . ILE   A 1 127 ? 8.836  -0.716  15.997  1.00 20.26 ? 126 ILE   A CA  1 
ATOM   1001 C C   . ILE   A 1 127 ? 8.997  -0.801  17.515  1.00 22.28 ? 126 ILE   A C   1 
ATOM   1002 O O   . ILE   A 1 127 ? 8.626  -1.812  18.113  1.00 21.40 ? 126 ILE   A O   1 
ATOM   1003 C CB  . ILE   A 1 127 ? 10.205 -0.906  15.299  1.00 20.10 ? 126 ILE   A CB  1 
ATOM   1004 C CG1 . ILE   A 1 127 ? 10.062 -0.994  13.803  1.00 20.60 ? 126 ILE   A CG1 1 
ATOM   1005 C CG2 . ILE   A 1 127 ? 10.963 -2.110  15.884  1.00 20.03 ? 126 ILE   A CG2 1 
ATOM   1006 C CD1 . ILE   A 1 127 ? 11.441 -0.998  13.095  1.00 22.16 ? 126 ILE   A CD1 1 
ATOM   1007 N N   . MET   A 1 128 ? 9.532  0.269   18.130  1.00 22.99 ? 127 MET   A N   1 
ATOM   1008 C CA  A MET   A 1 128 ? 9.753  0.239   19.564  0.50 24.94 ? 127 MET   A CA  1 
ATOM   1009 C CA  B MET   A 1 128 ? 9.748  0.314   19.577  0.50 25.28 ? 127 MET   A CA  1 
ATOM   1010 C C   . MET   A 1 128 ? 8.454  0.104   20.347  1.00 25.86 ? 127 MET   A C   1 
ATOM   1011 O O   . MET   A 1 128 ? 8.363  -0.790  21.190  1.00 26.85 ? 127 MET   A O   1 
ATOM   1012 C CB  A MET   A 1 128 ? 10.577 1.436   20.017  0.50 25.78 ? 127 MET   A CB  1 
ATOM   1013 C CB  B MET   A 1 128 ? 10.379 1.663   19.990  0.50 26.89 ? 127 MET   A CB  1 
ATOM   1014 C CG  A MET   A 1 128 ? 11.003 1.324   21.428  0.50 28.27 ? 127 MET   A CG  1 
ATOM   1015 C CG  B MET   A 1 128 ? 11.852 1.677   19.896  0.50 30.73 ? 127 MET   A CG  1 
ATOM   1016 S SD  A MET   A 1 128 ? 11.855 2.819   21.879  0.50 30.64 ? 127 MET   A SD  1 
ATOM   1017 S SD  B MET   A 1 128 ? 12.576 0.586   21.133  0.50 42.65 ? 127 MET   A SD  1 
ATOM   1018 C CE  A MET   A 1 128 ? 10.455 3.870   22.200  0.50 26.60 ? 127 MET   A CE  1 
ATOM   1019 C CE  B MET   A 1 128 ? 12.216 1.497   22.628  0.50 43.41 ? 127 MET   A CE  1 
ATOM   1020 N N   . ASN   A 1 129 ? 7.441  0.926   20.055  1.00 26.59 ? 128 ASN   A N   1 
ATOM   1021 C CA  . ASN   A 1 129 ? 6.173  0.886   20.774  1.00 29.00 ? 128 ASN   A CA  1 
ATOM   1022 C C   . ASN   A 1 129 ? 5.355  -0.374  20.561  1.00 30.96 ? 128 ASN   A C   1 
ATOM   1023 O O   . ASN   A 1 129 ? 4.687  -0.826  21.491  1.00 32.28 ? 128 ASN   A O   1 
ATOM   1024 C CB  . ASN   A 1 129 ? 5.282  2.071   20.383  1.00 30.74 ? 128 ASN   A CB  1 
ATOM   1025 C CG  . ASN   A 1 129 ? 5.774  3.421   20.824  1.00 35.79 ? 128 ASN   A CG  1 
ATOM   1026 O OD1 . ASN   A 1 129 ? 6.621  3.558   21.727  1.00 37.75 ? 128 ASN   A OD1 1 
ATOM   1027 N ND2 . ASN   A 1 129 ? 5.277  4.452   20.147  1.00 36.21 ? 128 ASN   A ND2 1 
ATOM   1028 N N   . ASN   A 1 130 ? 5.342  -0.912  19.341  1.00 30.41 ? 129 ASN   A N   1 
ATOM   1029 C CA  . ASN   A 1 130 ? 4.472  -2.024  19.024  1.00 30.30 ? 129 ASN   A CA  1 
ATOM   1030 C C   . ASN   A 1 130 ? 5.101  -3.368  19.101  1.00 28.19 ? 129 ASN   A C   1 
ATOM   1031 O O   . ASN   A 1 130 ? 4.358  -4.344  19.171  1.00 28.50 ? 129 ASN   A O   1 
ATOM   1032 C CB  . ASN   A 1 130 ? 3.847  -1.828  17.657  1.00 33.14 ? 129 ASN   A CB  1 
ATOM   1033 C CG  . ASN   A 1 130 ? 3.037  -0.572  17.602  1.00 39.73 ? 129 ASN   A CG  1 
ATOM   1034 O OD1 . ASN   A 1 130 ? 3.576  0.533   17.578  1.00 42.43 ? 129 ASN   A OD1 1 
ATOM   1035 N ND2 . ASN   A 1 130 ? 1.724  -0.706  17.599  1.00 41.41 ? 129 ASN   A ND2 1 
ATOM   1036 N N   . THR   A 1 131 ? 6.442  -3.459  18.941  1.00 25.65 ? 130 THR   A N   1 
ATOM   1037 C CA  . THR   A 1 131 ? 7.116  -4.740  18.900  1.00 23.61 ? 130 THR   A CA  1 
ATOM   1038 C C   . THR   A 1 131 ? 8.339  -4.852  19.760  1.00 23.06 ? 130 THR   A C   1 
ATOM   1039 O O   . THR   A 1 131 ? 8.939  -5.913  19.724  1.00 22.10 ? 130 THR   A O   1 
ATOM   1040 C CB  . THR   A 1 131 ? 7.562  -5.128  17.432  1.00 24.23 ? 130 THR   A CB  1 
ATOM   1041 O OG1 . THR   A 1 131 ? 8.619  -4.263  16.980  1.00 24.46 ? 130 THR   A OG1 1 
ATOM   1042 C CG2 . THR   A 1 131 ? 6.428  -5.100  16.450  1.00 24.13 ? 130 THR   A CG2 1 
ATOM   1043 N N   . GLY   A 1 132 ? 8.763  -3.790  20.451  1.00 22.86 ? 131 GLY   A N   1 
ATOM   1044 C CA  . GLY   A 1 132 ? 10.014 -3.846  21.215  1.00 22.65 ? 131 GLY   A CA  1 
ATOM   1045 C C   . GLY   A 1 132 ? 10.070 -4.945  22.268  1.00 23.28 ? 131 GLY   A C   1 
ATOM   1046 O O   . GLY   A 1 132 ? 11.086 -5.611  22.410  1.00 23.03 ? 131 GLY   A O   1 
ATOM   1047 N N   . GLU   A 1 133 ? 8.993  -5.134  23.002  1.00 24.28 ? 132 GLU   A N   1 
ATOM   1048 C CA  . GLU   A 1 133 ? 8.891  -6.173  24.049  1.00 25.44 ? 132 GLU   A CA  1 
ATOM   1049 C C   . GLU   A 1 133 ? 9.120  -7.588  23.424  1.00 24.93 ? 132 GLU   A C   1 
ATOM   1050 O O   . GLU   A 1 133 ? 9.974  -8.381  23.894  1.00 24.34 ? 132 GLU   A O   1 
ATOM   1051 C CB  . GLU   A 1 133 ? 7.469  -6.095  24.671  1.00 30.04 ? 132 GLU   A CB  1 
ATOM   1052 C CG  . GLU   A 1 133 ? 7.248  -7.055  25.824  1.00 39.98 ? 132 GLU   A CG  1 
ATOM   1053 C CD  . GLU   A 1 133 ? 5.796  -7.303  26.182  1.00 51.78 ? 132 GLU   A CD  1 
ATOM   1054 O OE1 . GLU   A 1 133 ? 5.154  -8.141  25.507  1.00 54.03 ? 132 GLU   A OE1 1 
ATOM   1055 O OE2 . GLU   A 1 133 ? 5.301  -6.664  27.140  1.00 56.47 ? 132 GLU   A OE2 1 
ATOM   1056 N N   . TRP   A 1 134 ? 8.376  -7.867  22.331  1.00 23.25 ? 133 TRP   A N   1 
ATOM   1057 C CA  . TRP   A 1 134 ? 8.496  -9.113  21.580  1.00 22.93 ? 133 TRP   A CA  1 
ATOM   1058 C C   . TRP   A 1 134 ? 9.905  -9.293  21.092  1.00 22.84 ? 133 TRP   A C   1 
ATOM   1059 O O   . TRP   A 1 134 ? 10.444 -10.369 21.216  1.00 25.00 ? 133 TRP   A O   1 
ATOM   1060 C CB  . TRP   A 1 134 ? 7.516  -9.177  20.395  1.00 23.10 ? 133 TRP   A CB  1 
ATOM   1061 C CG  . TRP   A 1 134 ? 7.531  -10.505 19.701  1.00 23.33 ? 133 TRP   A CG  1 
ATOM   1062 C CD1 . TRP   A 1 134 ? 6.676  -11.549 19.911  1.00 24.58 ? 133 TRP   A CD1 1 
ATOM   1063 C CD2 . TRP   A 1 134 ? 8.417  -10.914 18.646  1.00 22.50 ? 133 TRP   A CD2 1 
ATOM   1064 N NE1 . TRP   A 1 134 ? 7.035  -12.617 19.123  1.00 24.98 ? 133 TRP   A NE1 1 
ATOM   1065 C CE2 . TRP   A 1 134 ? 8.072  -12.234 18.299  1.00 24.00 ? 133 TRP   A CE2 1 
ATOM   1066 C CE3 . TRP   A 1 134 ? 9.439  -10.268 17.926  1.00 21.39 ? 133 TRP   A CE3 1 
ATOM   1067 C CZ2 . TRP   A 1 134 ? 8.745  -12.947 17.302  1.00 23.70 ? 133 TRP   A CZ2 1 
ATOM   1068 C CZ3 . TRP   A 1 134 ? 10.123 -10.985 16.965  1.00 21.48 ? 133 TRP   A CZ3 1 
ATOM   1069 C CH2 . TRP   A 1 134 ? 9.787  -12.310 16.666  1.00 23.04 ? 133 TRP   A CH2 1 
ATOM   1070 N N   . ILE   A 1 135 ? 10.528 -8.241  20.506  1.00 21.76 ? 134 ILE   A N   1 
ATOM   1071 C CA  . ILE   A 1 135 ? 11.914 -8.379  20.019  1.00 21.57 ? 134 ILE   A CA  1 
ATOM   1072 C C   . ILE   A 1 135 ? 12.878 -8.799  21.140  1.00 22.58 ? 134 ILE   A C   1 
ATOM   1073 O O   . ILE   A 1 135 ? 13.627 -9.750  20.971  1.00 23.53 ? 134 ILE   A O   1 
ATOM   1074 C CB  . ILE   A 1 135 ? 12.367 -7.068  19.318  1.00 20.74 ? 134 ILE   A CB  1 
ATOM   1075 C CG1 . ILE   A 1 135 ? 11.573 -6.861  18.026  1.00 22.31 ? 134 ILE   A CG1 1 
ATOM   1076 C CG2 . ILE   A 1 135 ? 13.851 -7.077  19.027  1.00 21.91 ? 134 ILE   A CG2 1 
ATOM   1077 C CD1 . ILE   A 1 135 ? 11.911 -5.409  17.355  1.00 23.27 ? 134 ILE   A CD1 1 
ATOM   1078 N N   . ARG   A 1 136 ? 12.810 -8.143  22.295  1.00 24.54 ? 135 ARG   A N   1 
ATOM   1079 C CA  . ARG   A 1 136 ? 13.717 -8.475  23.420  1.00 25.81 ? 135 ARG   A CA  1 
ATOM   1080 C C   . ARG   A 1 136 ? 13.521 -9.944  23.869  1.00 26.29 ? 135 ARG   A C   1 
ATOM   1081 O O   . ARG   A 1 136 ? 14.490 -10.695 23.919  1.00 27.36 ? 135 ARG   A O   1 
ATOM   1082 C CB  . ARG   A 1 136 ? 13.427 -7.549  24.622  1.00 29.39 ? 135 ARG   A CB  1 
ATOM   1083 C CG  . ARG   A 1 136 ? 14.343 -7.855  25.830  1.00 33.61 ? 135 ARG   A CG  1 
ATOM   1084 C CD  . ARG   A 1 136 ? 14.088 -6.883  26.975  1.00 35.52 ? 135 ARG   A CD  1 
ATOM   1085 N N   . GLN   A 1 137 ? 12.276 -10.350 24.076  1.00 25.83 ? 136 GLN   A N   1 
ATOM   1086 C CA  . GLN   A 1 137 ? 11.958 -11.714 24.517  1.00 26.90 ? 136 GLN   A CA  1 
ATOM   1087 C C   . GLN   A 1 137 ? 12.423 -12.760 23.498  1.00 26.55 ? 136 GLN   A C   1 
ATOM   1088 O O   . GLN   A 1 137 ? 12.683 -13.898 23.865  1.00 27.34 ? 136 GLN   A O   1 
ATOM   1089 C CB  . GLN   A 1 137 ? 10.444 -11.852 24.698  1.00 29.88 ? 136 GLN   A CB  1 
ATOM   1090 C CG  . GLN   A 1 137 ? 9.884  -11.149 25.938  1.00 38.52 ? 136 GLN   A CG  1 
ATOM   1091 C CD  . GLN   A 1 137 ? 8.368  -11.058 25.904  1.00 47.86 ? 136 GLN   A CD  1 
ATOM   1092 O OE1 . GLN   A 1 137 ? 7.678  -11.587 25.004  1.00 50.69 ? 136 GLN   A OE1 1 
ATOM   1093 N NE2 . GLN   A 1 137 ? 7.808  -10.361 26.878  1.00 50.30 ? 136 GLN   A NE2 1 
ATOM   1094 N N   . ASN   A 1 138 ? 12.503 -12.384 22.202  1.00 24.51 ? 137 ASN   A N   1 
ATOM   1095 C CA  . ASN   A 1 138 ? 12.922 -13.323 21.175  1.00 22.62 ? 137 ASN   A CA  1 
ATOM   1096 C C   . ASN   A 1 138 ? 14.356 -13.204 20.732  1.00 23.07 ? 137 ASN   A C   1 
ATOM   1097 O O   . ASN   A 1 138 ? 14.710 -13.746 19.671  1.00 23.08 ? 137 ASN   A O   1 
ATOM   1098 C CB  . ASN   A 1 138 ? 12.002 -13.286 20.000  1.00 22.23 ? 137 ASN   A CB  1 
ATOM   1099 C CG  . ASN   A 1 138 ? 10.696 -13.915 20.359  1.00 24.24 ? 137 ASN   A CG  1 
ATOM   1100 O OD1 . ASN   A 1 138 ? 10.464 -15.115 20.099  1.00 24.39 ? 137 ASN   A OD1 1 
ATOM   1101 N ND2 . ASN   A 1 138 ? 9.841  -13.151 20.994  1.00 24.43 ? 137 ASN   A ND2 1 
ATOM   1102 N N   . GLY   A 1 139 ? 15.187 -12.602 21.588  1.00 22.59 ? 138 GLY   A N   1 
ATOM   1103 C CA  . GLY   A 1 139 ? 16.628 -12.544 21.382  1.00 23.08 ? 138 GLY   A CA  1 
ATOM   1104 C C   . GLY   A 1 139 ? 17.218 -11.278 20.807  1.00 22.52 ? 138 GLY   A C   1 
ATOM   1105 O O   . GLY   A 1 139 ? 18.428 -11.218 20.580  1.00 24.48 ? 138 GLY   A O   1 
ATOM   1106 N N   . GLY   A 1 140 ? 16.404 -10.278 20.639  1.00 20.52 ? 139 GLY   A N   1 
ATOM   1107 C CA  . GLY   A 1 140 ? 16.850 -9.028  20.023  1.00 19.98 ? 139 GLY   A CA  1 
ATOM   1108 C C   . GLY   A 1 140 ? 17.244 -9.225  18.566  1.00 20.32 ? 139 GLY   A C   1 
ATOM   1109 O O   . GLY   A 1 140 ? 16.967 -10.275 17.948  1.00 19.53 ? 139 GLY   A O   1 
ATOM   1110 N N   . TRP   A 1 141 ? 17.956 -8.218  18.031  1.00 20.28 ? 140 TRP   A N   1 
ATOM   1111 C CA  . TRP   A 1 141 ? 18.434 -8.282  16.659  1.00 21.03 ? 140 TRP   A CA  1 
ATOM   1112 C C   . TRP   A 1 141 ? 19.597 -9.240  16.532  1.00 22.77 ? 140 TRP   A C   1 
ATOM   1113 O O   . TRP   A 1 141 ? 19.648 -9.962  15.554  1.00 22.45 ? 140 TRP   A O   1 
ATOM   1114 C CB  . TRP   A 1 141 ? 18.823 -6.858  16.160  1.00 21.39 ? 140 TRP   A CB  1 
ATOM   1115 C CG  . TRP   A 1 141 ? 17.645 -5.954  16.220  1.00 21.60 ? 140 TRP   A CG  1 
ATOM   1116 C CD1 . TRP   A 1 141 ? 17.321 -5.097  17.229  1.00 23.80 ? 140 TRP   A CD1 1 
ATOM   1117 C CD2 . TRP   A 1 141 ? 16.595 -5.856  15.258  1.00 22.04 ? 140 TRP   A CD2 1 
ATOM   1118 N NE1 . TRP   A 1 141 ? 16.128 -4.484  16.957  1.00 24.52 ? 140 TRP   A NE1 1 
ATOM   1119 C CE2 . TRP   A 1 141 ? 15.682 -4.893  15.736  1.00 23.23 ? 140 TRP   A CE2 1 
ATOM   1120 C CE3 . TRP   A 1 141 ? 16.380 -6.425  14.001  1.00 23.87 ? 140 TRP   A CE3 1 
ATOM   1121 C CZ2 . TRP   A 1 141 ? 14.516 -4.571  15.058  1.00 24.35 ? 140 TRP   A CZ2 1 
ATOM   1122 C CZ3 . TRP   A 1 141 ? 15.228 -6.089  13.316  1.00 25.25 ? 140 TRP   A CZ3 1 
ATOM   1123 C CH2 . TRP   A 1 141 ? 14.303 -5.188  13.855  1.00 25.05 ? 140 TRP   A CH2 1 
ATOM   1124 N N   . GLU   A 1 142 ? 20.516 -9.274  17.517  1.00 23.04 ? 141 GLU   A N   1 
ATOM   1125 C CA  . GLU   A 1 142 ? 21.712 -10.104 17.389  1.00 25.03 ? 141 GLU   A CA  1 
ATOM   1126 C C   . GLU   A 1 142 ? 21.503 -11.609 17.657  1.00 24.98 ? 141 GLU   A C   1 
ATOM   1127 O O   . GLU   A 1 142 ? 22.088 -12.434 16.949  1.00 26.08 ? 141 GLU   A O   1 
ATOM   1128 C CB  . GLU   A 1 142 ? 22.848 -9.558  18.269  1.00 30.03 ? 141 GLU   A CB  1 
ATOM   1129 C CG  . GLU   A 1 142 ? 23.959 -8.926  17.434  1.00 41.02 ? 141 GLU   A CG  1 
ATOM   1130 C CD  . GLU   A 1 142 ? 24.098 -7.416  17.508  1.00 51.70 ? 141 GLU   A CD  1 
ATOM   1131 O OE1 . GLU   A 1 142 ? 24.468 -6.902  18.589  1.00 52.54 ? 141 GLU   A OE1 1 
ATOM   1132 O OE2 . GLU   A 1 142 ? 23.862 -6.747  16.473  1.00 54.86 ? 141 GLU   A OE2 1 
ATOM   1133 N N   . ASN   A 1 143 ? 20.639 -11.969 18.617  1.00 23.76 ? 142 ASN   A N   1 
ATOM   1134 C CA  . ASN   A 1 143 ? 20.392 -13.395 18.906  1.00 24.11 ? 142 ASN   A CA  1 
ATOM   1135 C C   . ASN   A 1 143 ? 19.015 -13.900 18.436  1.00 23.66 ? 142 ASN   A C   1 
ATOM   1136 O O   . ASN   A 1 143 ? 18.682 -15.053 18.655  1.00 25.48 ? 142 ASN   A O   1 
ATOM   1137 C CB  . ASN   A 1 143 ? 20.577 -13.693 20.393  1.00 27.51 ? 142 ASN   A CB  1 
ATOM   1138 C CG  . ASN   A 1 143 ? 22.018 -13.577 20.826  1.00 32.68 ? 142 ASN   A CG  1 
ATOM   1139 O OD1 . ASN   A 1 143 ? 22.907 -14.247 20.301  1.00 37.06 ? 142 ASN   A OD1 1 
ATOM   1140 N ND2 . ASN   A 1 143 ? 22.290 -12.720 21.771  1.00 34.10 ? 142 ASN   A ND2 1 
ATOM   1141 N N   . GLY   A 1 144 ? 18.238 -13.043 17.799  1.00 21.47 ? 143 GLY   A N   1 
ATOM   1142 C CA  . GLY   A 1 144 ? 16.943 -13.426 17.288  1.00 21.37 ? 143 GLY   A CA  1 
ATOM   1143 C C   . GLY   A 1 144 ? 16.960 -13.278 15.788  1.00 20.87 ? 143 GLY   A C   1 
ATOM   1144 O O   . GLY   A 1 144 ? 17.204 -14.242 15.040  1.00 21.47 ? 143 GLY   A O   1 
ATOM   1145 N N   . PHE   A 1 145 ? 16.852 -12.034 15.343  1.00 19.21 ? 144 PHE   A N   1 
ATOM   1146 C CA  . PHE   A 1 145 ? 16.809 -11.748 13.907  1.00 18.94 ? 144 PHE   A CA  1 
ATOM   1147 C C   . PHE   A 1 145 ? 17.987 -12.285 13.147  1.00 20.07 ? 144 PHE   A C   1 
ATOM   1148 O O   . PHE   A 1 145 ? 17.785 -13.008 12.161  1.00 21.38 ? 144 PHE   A O   1 
ATOM   1149 C CB  . PHE   A 1 145 ? 16.683 -10.229 13.700  1.00 18.53 ? 144 PHE   A CB  1 
ATOM   1150 C CG  . PHE   A 1 145 ? 16.617 -9.869  12.229  1.00 19.72 ? 144 PHE   A CG  1 
ATOM   1151 C CD1 . PHE   A 1 145 ? 15.481 -10.156 11.483  1.00 21.33 ? 144 PHE   A CD1 1 
ATOM   1152 C CD2 . PHE   A 1 145 ? 17.758 -9.465  11.550  1.00 19.28 ? 144 PHE   A CD2 1 
ATOM   1153 C CE1 . PHE   A 1 145 ? 15.431 -9.864  10.114  1.00 22.24 ? 144 PHE   A CE1 1 
ATOM   1154 C CE2 . PHE   A 1 145 ? 17.709 -9.188  10.184  1.00 20.67 ? 144 PHE   A CE2 1 
ATOM   1155 C CZ  . PHE   A 1 145 ? 16.556 -9.421  9.471   1.00 21.08 ? 144 PHE   A CZ  1 
ATOM   1156 N N   . VAL   A 1 146 ? 19.229 -11.933 13.542  1.00 20.08 ? 145 VAL   A N   1 
ATOM   1157 C CA  . VAL   A 1 146 ? 20.399 -12.349 12.768  1.00 21.45 ? 145 VAL   A CA  1 
ATOM   1158 C C   . VAL   A 1 146 ? 20.489 -13.874 12.723  1.00 22.04 ? 145 VAL   A C   1 
ATOM   1159 O O   . VAL   A 1 146 ? 20.739 -14.437 11.666  1.00 21.59 ? 145 VAL   A O   1 
ATOM   1160 C CB  . VAL   A 1 146 ? 21.717 -11.702 13.258  1.00 22.33 ? 145 VAL   A CB  1 
ATOM   1161 C CG1 . VAL   A 1 146 ? 22.939 -12.333 12.596  1.00 23.99 ? 145 VAL   A CG1 1 
ATOM   1162 C CG2 . VAL   A 1 146 ? 21.712 -10.207 12.985  1.00 21.59 ? 145 VAL   A CG2 1 
ATOM   1163 N N   . LYS   A 1 147 ? 20.207 -14.538 13.838  1.00 21.82 ? 146 LYS   A N   1 
ATOM   1164 C CA  . LYS   A 1 147 ? 20.295 -16.022 13.858  1.00 21.73 ? 146 LYS   A CA  1 
ATOM   1165 C C   . LYS   A 1 147 ? 19.301 -16.672 12.890  1.00 21.77 ? 146 LYS   A C   1 
ATOM   1166 O O   . LYS   A 1 147 ? 19.612 -17.698 12.282  1.00 22.92 ? 146 LYS   A O   1 
ATOM   1167 C CB  . LYS   A 1 147 ? 20.092 -16.529 15.275  1.00 23.24 ? 146 LYS   A CB  1 
ATOM   1168 C CG  . LYS   A 1 147 ? 21.157 -16.020 16.222  1.00 27.92 ? 146 LYS   A CG  1 
ATOM   1169 C CD  . LYS   A 1 147 ? 22.542 -16.571 15.928  1.00 31.41 ? 146 LYS   A CD  1 
ATOM   1170 C CE  . LYS   A 1 147 ? 23.490 -16.229 17.054  1.00 35.25 ? 146 LYS   A CE  1 
ATOM   1171 N NZ  . LYS   A 1 147 ? 24.925 -16.377 16.644  1.00 38.92 ? 146 LYS   A NZ  1 
ATOM   1172 N N   . LYS   A 1 148 ? 18.125 -16.103 12.752  1.00 20.87 ? 147 LYS   A N   1 
ATOM   1173 C CA  . LYS   A 1 148 ? 17.127 -16.636 11.849  1.00 22.49 ? 147 LYS   A CA  1 
ATOM   1174 C C   . LYS   A 1 148 ? 17.440 -16.367 10.363  1.00 23.78 ? 147 LYS   A C   1 
ATOM   1175 O O   . LYS   A 1 148 ? 17.166 -17.227 9.506   1.00 23.89 ? 147 LYS   A O   1 
ATOM   1176 C CB  . LYS   A 1 148 ? 15.751 -16.063 12.130  1.00 25.48 ? 147 LYS   A CB  1 
ATOM   1177 C CG  . LYS   A 1 148 ? 14.651 -16.942 11.530  1.00 32.85 ? 147 LYS   A CG  1 
ATOM   1178 C CD  . LYS   A 1 148 ? 13.482 -16.154 10.998  1.00 38.92 ? 147 LYS   A CD  1 
ATOM   1179 C CE  . LYS   A 1 148 ? 12.357 -17.007 10.459  1.00 43.76 ? 147 LYS   A CE  1 
ATOM   1180 N NZ  . LYS   A 1 148 ? 12.582 -17.408 9.044   1.00 46.92 ? 147 LYS   A NZ  1 
ATOM   1181 N N   . PHE   A 1 149 ? 17.952 -15.165 10.052  1.00 22.86 ? 148 PHE   A N   1 
ATOM   1182 C CA  . PHE   A 1 149 ? 18.091 -14.769 8.655   1.00 22.22 ? 148 PHE   A CA  1 
ATOM   1183 C C   . PHE   A 1 149 ? 19.475 -14.754 8.071   1.00 21.36 ? 148 PHE   A C   1 
ATOM   1184 O O   . PHE   A 1 149 ? 19.563 -14.602 6.844   1.00 22.63 ? 148 PHE   A O   1 
ATOM   1185 C CB  . PHE   A 1 149 ? 17.454 -13.404 8.437   1.00 22.93 ? 148 PHE   A CB  1 
ATOM   1186 C CG  . PHE   A 1 149 ? 15.953 -13.382 8.547   1.00 25.07 ? 148 PHE   A CG  1 
ATOM   1187 C CD1 . PHE   A 1 149 ? 15.157 -13.688 7.461   1.00 26.57 ? 148 PHE   A CD1 1 
ATOM   1188 C CD2 . PHE   A 1 149 ? 15.338 -13.132 9.752   1.00 28.13 ? 148 PHE   A CD2 1 
ATOM   1189 C CE1 . PHE   A 1 149 ? 13.778 -13.607 7.546   1.00 27.65 ? 148 PHE   A CE1 1 
ATOM   1190 C CE2 . PHE   A 1 149 ? 13.947 -13.076 9.835   1.00 29.18 ? 148 PHE   A CE2 1 
ATOM   1191 C CZ  . PHE   A 1 149 ? 13.180 -13.329 8.728   1.00 28.32 ? 148 PHE   A CZ  1 
ATOM   1192 N N   . GLU   A 1 150 ? 20.546 -14.848 8.875   1.00 18.36 ? 149 GLU   A N   1 
ATOM   1193 C CA  . GLU   A 1 150 ? 21.883 -14.908 8.312   1.00 18.77 ? 149 GLU   A CA  1 
ATOM   1194 C C   . GLU   A 1 150 ? 22.053 -16.231 7.489   1.00 21.46 ? 149 GLU   A C   1 
ATOM   1195 O O   . GLU   A 1 150 ? 21.407 -17.248 7.769   1.00 22.28 ? 149 GLU   A O   1 
ATOM   1196 C CB  . GLU   A 1 150 ? 22.936 -14.869 9.440   1.00 21.36 ? 149 GLU   A CB  1 
ATOM   1197 C CG  . GLU   A 1 150 ? 23.051 -16.151 10.267  1.00 24.90 ? 149 GLU   A CG  1 
ATOM   1198 C CD  . GLU   A 1 150 ? 23.942 -16.097 11.497  1.00 31.79 ? 149 GLU   A CD  1 
ATOM   1199 O OE1 . GLU   A 1 150 ? 24.858 -15.245 11.541  1.00 34.21 ? 149 GLU   A OE1 1 
ATOM   1200 O OE2 . GLU   A 1 150 ? 23.714 -16.906 12.424  1.00 31.73 ? 149 GLU   A OE2 1 
ATOM   1201 N N   . PRO   A 1 151 ? 23.009 -16.259 6.573   1.00 24.00 ? 150 PRO   A N   1 
ATOM   1202 C CA  . PRO   A 1 151 ? 23.258 -17.500 5.807   1.00 25.55 ? 150 PRO   A CA  1 
ATOM   1203 C C   . PRO   A 1 151 ? 23.604 -18.688 6.727   1.00 27.02 ? 150 PRO   A C   1 
ATOM   1204 O O   . PRO   A 1 151 ? 24.316 -18.461 7.690   1.00 27.12 ? 150 PRO   A O   1 
ATOM   1205 C CB  . PRO   A 1 151 ? 24.475 -17.121 4.970   1.00 26.83 ? 150 PRO   A CB  1 
ATOM   1206 C CG  . PRO   A 1 151 ? 24.333 -15.637 4.719   1.00 26.74 ? 150 PRO   A CG  1 
ATOM   1207 C CD  . PRO   A 1 151 ? 23.867 -15.146 6.112   1.00 24.10 ? 150 PRO   A CD  1 
ATOM   1208 N N   . LYS   A 1 152 ? 23.165 -19.948 6.413   1.00 28.43 ? 151 LYS   A N   1 
ATOM   1209 C CA  . LYS   A 1 152 ? 23.470 -21.154 7.230   1.00 30.43 ? 151 LYS   A CA  1 
ATOM   1210 C C   . LYS   A 1 152 ? 24.918 -21.657 7.021   1.00 30.97 ? 151 LYS   A C   1 
ATOM   1211 O O   . LYS   A 1 152 ? 25.560 -21.248 6.055   1.00 30.16 ? 151 LYS   A O   1 
ATOM   1212 C CB  . LYS   A 1 152 ? 22.479 -22.298 6.961   1.00 33.01 ? 151 LYS   A CB  1 
ATOM   1213 C CG  . LYS   A 1 152 ? 21.065 -21.989 7.418   1.00 39.49 ? 151 LYS   A CG  1 
ATOM   1214 C CD  . LYS   A 1 152 ? 20.064 -22.985 6.837   1.00 46.66 ? 151 LYS   A CD  1 
ATOM   1215 C CE  . LYS   A 1 152 ? 19.400 -22.482 5.577   1.00 53.36 ? 151 LYS   A CE  1 
ATOM   1216 N NZ  . LYS   A 1 152 ? 17.967 -22.896 5.518   1.00 56.93 ? 151 LYS   A NZ  1 
HETATM 1217 C C1  . A1H7Q B 2 .   ? -5.400 0.559   -0.913  1.00 56.23 ? 201 A1H7Q A C1  1 
HETATM 1218 C C2  . A1H7Q B 2 .   ? -5.379 1.872   -1.668  1.00 56.63 ? 201 A1H7Q A C2  1 
HETATM 1219 C C3  . A1H7Q B 2 .   ? -4.974 4.316   -1.701  1.00 56.08 ? 201 A1H7Q A C3  1 
HETATM 1220 C C7  . A1H7Q B 2 .   ? -2.843 2.726   0.240   1.00 55.20 ? 201 A1H7Q A C7  1 
HETATM 1221 C C8  . A1H7Q B 2 .   ? -2.257 2.023   1.280   1.00 55.15 ? 201 A1H7Q A C8  1 
HETATM 1222 C C9  . A1H7Q B 2 .   ? -0.944 1.592   1.189   1.00 55.09 ? 201 A1H7Q A C9  1 
HETATM 1223 C C10 . A1H7Q B 2 .   ? -0.198 1.866   0.067   1.00 54.67 ? 201 A1H7Q A C10 1 
HETATM 1224 C C11 . A1H7Q B 2 .   ? -0.756 2.589   -0.957  1.00 54.71 ? 201 A1H7Q A C11 1 
HETATM 1225 C C12 . A1H7Q B 2 .   ? -2.069 3.021   -0.873  1.00 54.92 ? 201 A1H7Q A C12 1 
HETATM 1226 O O   . A1H7Q B 2 .   ? -5.719 1.915   -2.840  1.00 57.29 ? 201 A1H7Q A O   1 
HETATM 1227 C C   . A1H7Q B 2 .   ? -4.265 -0.388  -1.259  1.00 55.74 ? 201 A1H7Q A C   1 
HETATM 1228 N N   . A1H7Q B 2 .   ? -4.952 3.003   -1.051  1.00 56.17 ? 201 A1H7Q A N   1 
HETATM 1229 C C6  . A1H7Q B 2 .   ? -4.317 3.079   0.279   1.00 55.70 ? 201 A1H7Q A C6  1 
HETATM 1230 C C5  . A1H7Q B 2 .   ? -4.588 4.533   0.712   1.00 55.75 ? 201 A1H7Q A C5  1 
HETATM 1231 C C4  . A1H7Q B 2 .   ? -5.165 5.250   -0.531  1.00 55.89 ? 201 A1H7Q A C4  1 
HETATM 1232 O O   . HOH   C 3 .   ? 26.022 -17.000 8.354   1.00 35.72 ? 301 HOH   A O   1 
HETATM 1233 O O   . HOH   C 3 .   ? 24.883 -20.758 3.751   1.00 32.99 ? 302 HOH   A O   1 
HETATM 1234 O O   . HOH   C 3 .   ? 20.207 2.450   24.049  1.00 43.64 ? 303 HOH   A O   1 
HETATM 1235 O O   . HOH   C 3 .   ? 23.269 -3.608  1.853   1.00 41.51 ? 304 HOH   A O   1 
HETATM 1236 O O   . HOH   C 3 .   ? 24.593 -0.286  11.635  1.00 41.12 ? 305 HOH   A O   1 
HETATM 1237 O O   . HOH   C 3 .   ? 21.819 -18.938 12.189  1.00 45.86 ? 306 HOH   A O   1 
HETATM 1238 O O   . HOH   C 3 .   ? 4.795  -0.380  -7.231  1.00 47.54 ? 307 HOH   A O   1 
HETATM 1239 O O   . HOH   C 3 .   ? 19.385 -1.707  8.391   1.00 20.09 ? 308 HOH   A O   1 
HETATM 1240 O O   . HOH   C 3 .   ? 19.378 13.008  1.932   1.00 32.87 ? 309 HOH   A O   1 
HETATM 1241 O O   . HOH   C 3 .   ? 12.233 -16.889 19.346  1.00 28.03 ? 310 HOH   A O   1 
HETATM 1242 O O   . HOH   C 3 .   ? -3.410 5.780   8.376   1.00 44.60 ? 311 HOH   A O   1 
HETATM 1243 O O   . HOH   C 3 .   ? 20.786 -13.580 4.742   1.00 21.79 ? 312 HOH   A O   1 
HETATM 1244 O O   . HOH   C 3 .   ? 16.935 -9.458  -4.094  1.00 34.75 ? 313 HOH   A O   1 
HETATM 1245 O O   . HOH   C 3 .   ? 6.074  18.117  0.921   1.00 37.95 ? 314 HOH   A O   1 
HETATM 1246 O O   . HOH   C 3 .   ? 23.965 0.098   2.969   1.00 43.35 ? 315 HOH   A O   1 
HETATM 1247 O O   . HOH   C 3 .   ? 21.657 -0.306  15.184  1.00 30.45 ? 316 HOH   A O   1 
HETATM 1248 O O   . HOH   C 3 .   ? 24.476 -12.652 15.772  1.00 37.57 ? 317 HOH   A O   1 
HETATM 1249 O O   . HOH   C 3 .   ? 23.368 -1.750  14.089  1.00 38.36 ? 318 HOH   A O   1 
HETATM 1250 O O   . HOH   C 3 .   ? 11.760 -9.762  -4.386  1.00 32.26 ? 319 HOH   A O   1 
HETATM 1251 O O   . HOH   C 3 .   ? -5.275 8.590   -7.773  1.00 45.03 ? 320 HOH   A O   1 
HETATM 1252 O O   . HOH   C 3 .   ? 14.657 -12.290 -3.653  1.00 36.06 ? 321 HOH   A O   1 
HETATM 1253 O O   . HOH   C 3 .   ? 23.040 5.421   9.341   1.00 28.31 ? 322 HOH   A O   1 
HETATM 1254 O O   . HOH   C 3 .   ? -2.217 -9.293  11.325  1.00 44.11 ? 323 HOH   A O   1 
HETATM 1255 O O   . HOH   C 3 .   ? 22.293 7.354   11.016  1.00 43.05 ? 324 HOH   A O   1 
HETATM 1256 O O   . HOH   C 3 .   ? 24.696 3.640   6.054   1.00 34.62 ? 325 HOH   A O   1 
HETATM 1257 O O   . HOH   C 3 .   ? 18.258 12.293  13.471  1.00 38.21 ? 326 HOH   A O   1 
HETATM 1258 O O   . HOH   C 3 .   ? 20.754 6.081   17.000  1.00 26.15 ? 327 HOH   A O   1 
HETATM 1259 O O   . HOH   C 3 .   ? 10.165 13.710  -9.542  1.00 37.28 ? 328 HOH   A O   1 
HETATM 1260 O O   . HOH   C 3 .   ? 14.047 -15.301 17.540  1.00 31.22 ? 329 HOH   A O   1 
HETATM 1261 O O   . HOH   C 3 .   ? 8.496  -10.437 5.277   1.00 37.32 ? 330 HOH   A O   1 
HETATM 1262 O O   . HOH   C 3 .   ? 9.086  -4.850  -7.815  1.00 42.63 ? 331 HOH   A O   1 
HETATM 1263 O O   . HOH   C 3 .   ? 18.042 -8.554  -1.601  1.00 23.53 ? 332 HOH   A O   1 
HETATM 1264 O O   . HOH   C 3 .   ? 22.105 -20.298 3.905   1.00 32.44 ? 333 HOH   A O   1 
HETATM 1265 O O   . HOH   C 3 .   ? 8.952  11.653  12.263  1.00 37.76 ? 334 HOH   A O   1 
HETATM 1266 O O   . HOH   C 3 .   ? 28.322 6.364   0.085   1.00 41.07 ? 335 HOH   A O   1 
HETATM 1267 O O   . HOH   C 3 .   ? 20.438 -18.841 9.821   1.00 34.35 ? 336 HOH   A O   1 
HETATM 1268 O O   . HOH   C 3 .   ? 25.719 -14.841 14.338  1.00 38.16 ? 337 HOH   A O   1 
HETATM 1269 O O   . HOH   C 3 .   ? 2.283  -12.251 8.220   1.00 48.96 ? 338 HOH   A O   1 
HETATM 1270 O O   . HOH   C 3 .   ? 16.721 -6.614  22.525  1.00 39.37 ? 339 HOH   A O   1 
HETATM 1271 O O   . HOH   C 3 .   ? 7.518  11.101  14.226  1.00 51.29 ? 340 HOH   A O   1 
HETATM 1272 O O   . HOH   C 3 .   ? 5.162  5.905   14.423  1.00 29.12 ? 341 HOH   A O   1 
HETATM 1273 O O   . HOH   C 3 .   ? 15.732 -16.486 15.921  1.00 31.78 ? 342 HOH   A O   1 
HETATM 1274 O O   . HOH   C 3 .   ? 24.225 -6.212  3.126   1.00 32.54 ? 343 HOH   A O   1 
HETATM 1275 O O   . HOH   C 3 .   ? 5.582  -15.478 16.299  1.00 42.05 ? 344 HOH   A O   1 
HETATM 1276 O O   . HOH   C 3 .   ? 21.253 -11.067 4.348   1.00 28.59 ? 345 HOH   A O   1 
HETATM 1277 O O   . HOH   C 3 .   ? 5.689  -3.289  22.594  1.00 43.88 ? 346 HOH   A O   1 
HETATM 1278 O O   . HOH   C 3 .   ? 11.313 -12.257 -0.159  1.00 43.59 ? 347 HOH   A O   1 
HETATM 1279 O O   . HOH   C 3 .   ? 23.373 1.484   4.941   1.00 31.25 ? 348 HOH   A O   1 
HETATM 1280 O O   . HOH   C 3 .   ? 4.387  16.480  6.139   1.00 41.93 ? 349 HOH   A O   1 
HETATM 1281 O O   . HOH   C 3 .   ? 15.674 11.699  13.010  1.00 67.97 ? 350 HOH   A O   1 
HETATM 1282 O O   . HOH   C 3 .   ? 12.262 -2.336  -7.488  1.00 47.58 ? 351 HOH   A O   1 
HETATM 1283 O O   . HOH   C 3 .   ? 8.931  -14.836 10.392  1.00 30.78 ? 352 HOH   A O   1 
HETATM 1284 O O   . HOH   C 3 .   ? 15.954 12.327  2.482   1.00 37.82 ? 353 HOH   A O   1 
HETATM 1285 O O   . HOH   C 3 .   ? 5.987  -6.313  21.554  1.00 31.45 ? 354 HOH   A O   1 
HETATM 1286 O O   . HOH   C 3 .   ? -2.166 1.021   -12.020 1.00 47.48 ? 355 HOH   A O   1 
HETATM 1287 O O   . HOH   C 3 .   ? 20.322 -2.666  25.130  1.00 41.27 ? 356 HOH   A O   1 
HETATM 1288 O O   . HOH   C 3 .   ? 9.517  -15.064 13.965  1.00 32.96 ? 357 HOH   A O   1 
HETATM 1289 O O   . HOH   C 3 .   ? 2.505  18.284  5.056   1.00 44.63 ? 358 HOH   A O   1 
HETATM 1290 O O   . HOH   C 3 .   ? 21.042 -0.041  23.858  1.00 61.70 ? 359 HOH   A O   1 
HETATM 1291 O O   . HOH   C 3 .   ? 19.994 1.915   21.793  1.00 35.80 ? 360 HOH   A O   1 
HETATM 1292 O O   . HOH   C 3 .   ? -0.820 9.933   9.994   1.00 63.10 ? 361 HOH   A O   1 
HETATM 1293 O O   . HOH   C 3 .   ? 2.971  -13.122 18.585  1.00 39.41 ? 362 HOH   A O   1 
HETATM 1294 O O   . HOH   C 3 .   ? 14.483 3.853   24.139  1.00 38.03 ? 363 HOH   A O   1 
HETATM 1295 O O   . HOH   C 3 .   ? 9.001  13.422  19.406  1.00 47.47 ? 364 HOH   A O   1 
HETATM 1296 O O   . HOH   C 3 .   ? 6.862  17.164  4.132   1.00 36.66 ? 365 HOH   A O   1 
HETATM 1297 O O   . HOH   C 3 .   ? -9.647 6.728   -7.549  1.00 41.64 ? 366 HOH   A O   1 
HETATM 1298 O O   . HOH   C 3 .   ? 4.588  -16.649 14.129  1.00 42.09 ? 367 HOH   A O   1 
HETATM 1299 O O   . HOH   C 3 .   ? 14.895 2.594   27.684  1.00 43.29 ? 368 HOH   A O   1 
HETATM 1300 O O   . HOH   C 3 .   ? 5.200  -12.378 -3.391  1.00 44.33 ? 369 HOH   A O   1 
HETATM 1301 O O   . HOH   C 3 .   ? 26.122 -13.283 18.373  1.00 50.41 ? 370 HOH   A O   1 
HETATM 1302 O O   . HOH   C 3 .   ? 6.658  -10.813 -5.557  1.00 56.17 ? 371 HOH   A O   1 
HETATM 1303 O O   . HOH   C 3 .   ? 10.604 -12.195 5.222   1.00 42.40 ? 372 HOH   A O   1 
HETATM 1304 O O   . HOH   C 3 .   ? 12.246 13.966  16.010  1.00 46.92 ? 373 HOH   A O   1 
HETATM 1305 O O   . HOH   C 3 .   ? 1.815  -3.434  24.307  1.00 67.00 ? 374 HOH   A O   1 
HETATM 1306 O O   . HOH   C 3 .   ? 0.631  -2.224  -18.472 1.00 66.11 ? 375 HOH   A O   1 
# 
