data_9GLK
# 
_entry.id   9GLK 
# 
_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   9GLK         pdb_00009glk 10.2210/pdb9glk/pdb 
WWPDB D_1292141255 ?            ?                   
# 
_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       2025-05-07 
_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                        9GLK 
_pdbx_database_status.recvd_initial_deposition_date   2024-08-27 
_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 
# 
loop_
_pdbx_database_related.db_name 
_pdbx_database_related.details 
_pdbx_database_related.db_id 
_pdbx_database_related.content_type 
PDB 'UFC1 Wild type'     2Z6O unspecified 
PDB 'UFC1 Y110A & F121A' 7NVJ unspecified 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              reuvenw@ekmd.huji.ac.il 
_pdbx_contact_author.name_first         Reuven 
_pdbx_contact_author.name_last          Wiener 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-4219-550X 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Kumar, M.'    1 0000-0002-7083-5690 
'Banerjee, S.' 2 0009-0002-9409-6797 
'Wiener, R.'   3 ?                   
# 
_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                   UK 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'Nat Commun' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           2041-1723 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            16 
_citation.language                  ? 
_citation.page_first                3912 
_citation.page_last                 3912 
_citation.title                     
'UFC1 reveals the multifactorial and plastic nature of oxyanion holes in E2 conjugating enzymes.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1038/s41467-025-58826-y 
_citation.pdbx_database_id_PubMed   40280917 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Kumar, M.'       1 ?                   
primary 'Banerjee, S.'    2 ?                   
primary 'Cohen-Kfir, E.'  3 ?                   
primary 'Mitelberg, M.B.' 4 ?                   
primary 'Tiwari, S.'      5 ?                   
primary 'Isupov, M.N.'    6 0000-0001-6842-4289 
primary 'Dessau, M.'      7 0000-0002-1954-3625 
primary 'Wiener, R.'      8 0000-0002-4219-550X 
# 
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 'Ubiquitin-fold modifier-conjugating enzyme 1' 19624.588 1   ? E149I ? 
'Glutamate at 149th position is mutated to Isoleucine' 
2 non-polymer syn IMIDAZOLE                                      69.085    1   ? ?     ? ? 
3 water       nat water                                          18.015    171 ? ?     ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Ufm1-conjugating enzyme 1' 
# 
_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       
;GSMADEATRRVVSEIPVLKTNAGPRDRELWVQRLKEEYQSLIRYVENNKNADNDWFRLESNKEGTRWFGKCWYIHDLLKY
EFDIEFDIPITYPTTAPEIAVPELDGKTAKMYRGGKICLTDHFKPLWARNVPKFGLAHLMALGLGPWLAVIIPDLIQKGV
IHHKEKCNQ
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GSMADEATRRVVSEIPVLKTNAGPRDRELWVQRLKEEYQSLIRYVENNKNADNDWFRLESNKEGTRWFGKCWYIHDLLKY
EFDIEFDIPITYPTTAPEIAVPELDGKTAKMYRGGKICLTDHFKPLWARNVPKFGLAHLMALGLGPWLAVIIPDLIQKGV
IHHKEKCNQ
;
_entity_poly.pdbx_strand_id                 AAA 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 IMIDAZOLE IMD 
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   SER n 
1 3   MET n 
1 4   ALA n 
1 5   ASP n 
1 6   GLU n 
1 7   ALA n 
1 8   THR n 
1 9   ARG n 
1 10  ARG n 
1 11  VAL n 
1 12  VAL n 
1 13  SER n 
1 14  GLU n 
1 15  ILE n 
1 16  PRO n 
1 17  VAL n 
1 18  LEU n 
1 19  LYS n 
1 20  THR n 
1 21  ASN n 
1 22  ALA n 
1 23  GLY n 
1 24  PRO n 
1 25  ARG n 
1 26  ASP n 
1 27  ARG n 
1 28  GLU n 
1 29  LEU n 
1 30  TRP n 
1 31  VAL n 
1 32  GLN n 
1 33  ARG n 
1 34  LEU n 
1 35  LYS n 
1 36  GLU n 
1 37  GLU n 
1 38  TYR n 
1 39  GLN n 
1 40  SER n 
1 41  LEU n 
1 42  ILE n 
1 43  ARG n 
1 44  TYR n 
1 45  VAL n 
1 46  GLU n 
1 47  ASN n 
1 48  ASN n 
1 49  LYS n 
1 50  ASN n 
1 51  ALA n 
1 52  ASP n 
1 53  ASN n 
1 54  ASP n 
1 55  TRP n 
1 56  PHE n 
1 57  ARG n 
1 58  LEU n 
1 59  GLU n 
1 60  SER n 
1 61  ASN n 
1 62  LYS n 
1 63  GLU n 
1 64  GLY n 
1 65  THR n 
1 66  ARG n 
1 67  TRP n 
1 68  PHE n 
1 69  GLY n 
1 70  LYS n 
1 71  CYS n 
1 72  TRP n 
1 73  TYR n 
1 74  ILE n 
1 75  HIS n 
1 76  ASP n 
1 77  LEU n 
1 78  LEU n 
1 79  LYS n 
1 80  TYR n 
1 81  GLU n 
1 82  PHE n 
1 83  ASP n 
1 84  ILE n 
1 85  GLU n 
1 86  PHE n 
1 87  ASP n 
1 88  ILE n 
1 89  PRO n 
1 90  ILE n 
1 91  THR n 
1 92  TYR n 
1 93  PRO n 
1 94  THR n 
1 95  THR n 
1 96  ALA n 
1 97  PRO n 
1 98  GLU n 
1 99  ILE n 
1 100 ALA n 
1 101 VAL n 
1 102 PRO n 
1 103 GLU n 
1 104 LEU n 
1 105 ASP n 
1 106 GLY n 
1 107 LYS n 
1 108 THR n 
1 109 ALA n 
1 110 LYS n 
1 111 MET n 
1 112 TYR n 
1 113 ARG n 
1 114 GLY n 
1 115 GLY n 
1 116 LYS n 
1 117 ILE n 
1 118 CYS n 
1 119 LEU n 
1 120 THR n 
1 121 ASP n 
1 122 HIS n 
1 123 PHE n 
1 124 LYS n 
1 125 PRO n 
1 126 LEU n 
1 127 TRP n 
1 128 ALA n 
1 129 ARG n 
1 130 ASN n 
1 131 VAL n 
1 132 PRO n 
1 133 LYS n 
1 134 PHE n 
1 135 GLY n 
1 136 LEU n 
1 137 ALA n 
1 138 HIS n 
1 139 LEU n 
1 140 MET n 
1 141 ALA n 
1 142 LEU n 
1 143 GLY n 
1 144 LEU n 
1 145 GLY n 
1 146 PRO n 
1 147 TRP n 
1 148 LEU n 
1 149 ALA n 
1 150 VAL n 
1 151 ILE n 
1 152 ILE n 
1 153 PRO n 
1 154 ASP n 
1 155 LEU n 
1 156 ILE n 
1 157 GLN n 
1 158 LYS n 
1 159 GLY n 
1 160 VAL n 
1 161 ILE n 
1 162 HIS n 
1 163 HIS n 
1 164 LYS n 
1 165 GLU n 
1 166 LYS n 
1 167 CYS n 
1 168 ASN n 
1 169 GLN 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                   169 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'UFC1, CGI-126, HSPC155' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE         ? 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE        ? 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE      ? 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE        ? 'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE       ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE         ? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE       ? 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER           ? 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE      ? 'C6 H13 N O2'    131.173 
IMD non-polymer         . IMIDAZOLE       ? 'C3 H5 N2 1'     69.085  
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   -1  -1  GLY GLY AAA . n 
A 1 2   SER 2   0   0   SER SER AAA . n 
A 1 3   MET 3   1   1   MET MET AAA . n 
A 1 4   ALA 4   2   2   ALA ALA AAA . n 
A 1 5   ASP 5   3   3   ASP ASP AAA . n 
A 1 6   GLU 6   4   4   GLU GLU AAA . n 
A 1 7   ALA 7   5   5   ALA ALA AAA . n 
A 1 8   THR 8   6   6   THR THR AAA . n 
A 1 9   ARG 9   7   7   ARG ARG AAA . n 
A 1 10  ARG 10  8   8   ARG ARG AAA . n 
A 1 11  VAL 11  9   9   VAL VAL AAA . n 
A 1 12  VAL 12  10  10  VAL VAL AAA . n 
A 1 13  SER 13  11  11  SER SER AAA . n 
A 1 14  GLU 14  12  12  GLU GLU AAA . n 
A 1 15  ILE 15  13  13  ILE ILE AAA . n 
A 1 16  PRO 16  14  14  PRO PRO AAA . n 
A 1 17  VAL 17  15  15  VAL VAL AAA . n 
A 1 18  LEU 18  16  16  LEU LEU AAA . n 
A 1 19  LYS 19  17  17  LYS LYS AAA . n 
A 1 20  THR 20  18  18  THR THR AAA . n 
A 1 21  ASN 21  19  19  ASN ASN AAA . n 
A 1 22  ALA 22  20  20  ALA ALA AAA . n 
A 1 23  GLY 23  21  21  GLY GLY AAA . n 
A 1 24  PRO 24  22  22  PRO PRO AAA . n 
A 1 25  ARG 25  23  23  ARG ARG AAA . n 
A 1 26  ASP 26  24  24  ASP ASP AAA . n 
A 1 27  ARG 27  25  25  ARG ARG AAA . n 
A 1 28  GLU 28  26  26  GLU GLU AAA . n 
A 1 29  LEU 29  27  27  LEU LEU AAA . n 
A 1 30  TRP 30  28  28  TRP TRP AAA . n 
A 1 31  VAL 31  29  29  VAL VAL AAA . n 
A 1 32  GLN 32  30  30  GLN GLN AAA . n 
A 1 33  ARG 33  31  31  ARG ARG AAA . n 
A 1 34  LEU 34  32  32  LEU LEU AAA . n 
A 1 35  LYS 35  33  33  LYS LYS AAA . n 
A 1 36  GLU 36  34  34  GLU GLU AAA . n 
A 1 37  GLU 37  35  35  GLU GLU AAA . n 
A 1 38  TYR 38  36  36  TYR TYR AAA . n 
A 1 39  GLN 39  37  37  GLN GLN AAA . n 
A 1 40  SER 40  38  38  SER SER AAA . n 
A 1 41  LEU 41  39  39  LEU LEU AAA . n 
A 1 42  ILE 42  40  40  ILE ILE AAA . n 
A 1 43  ARG 43  41  41  ARG ARG AAA . n 
A 1 44  TYR 44  42  42  TYR TYR AAA . n 
A 1 45  VAL 45  43  43  VAL VAL AAA . n 
A 1 46  GLU 46  44  44  GLU GLU AAA . n 
A 1 47  ASN 47  45  45  ASN ASN AAA . n 
A 1 48  ASN 48  46  46  ASN ASN AAA . n 
A 1 49  LYS 49  47  47  LYS LYS AAA . n 
A 1 50  ASN 50  48  48  ASN ASN AAA . n 
A 1 51  ALA 51  49  49  ALA ALA AAA . n 
A 1 52  ASP 52  50  50  ASP ASP AAA . n 
A 1 53  ASN 53  51  51  ASN ASN AAA . n 
A 1 54  ASP 54  52  52  ASP ASP AAA . n 
A 1 55  TRP 55  53  53  TRP TRP AAA . n 
A 1 56  PHE 56  54  54  PHE PHE AAA . n 
A 1 57  ARG 57  55  55  ARG ARG AAA . n 
A 1 58  LEU 58  56  56  LEU LEU AAA . n 
A 1 59  GLU 59  57  57  GLU GLU AAA . n 
A 1 60  SER 60  58  58  SER SER AAA . n 
A 1 61  ASN 61  59  59  ASN ASN AAA . n 
A 1 62  LYS 62  60  60  LYS LYS AAA . n 
A 1 63  GLU 63  61  61  GLU GLU AAA . n 
A 1 64  GLY 64  62  62  GLY GLY AAA . n 
A 1 65  THR 65  63  63  THR THR AAA . n 
A 1 66  ARG 66  64  64  ARG ARG AAA . n 
A 1 67  TRP 67  65  65  TRP TRP AAA . n 
A 1 68  PHE 68  66  66  PHE PHE AAA . n 
A 1 69  GLY 69  67  67  GLY GLY AAA . n 
A 1 70  LYS 70  68  68  LYS LYS AAA . n 
A 1 71  CYS 71  69  69  CYS CYS AAA . n 
A 1 72  TRP 72  70  70  TRP TRP AAA . n 
A 1 73  TYR 73  71  71  TYR TYR AAA . n 
A 1 74  ILE 74  72  72  ILE ILE AAA . n 
A 1 75  HIS 75  73  73  HIS HIS AAA . n 
A 1 76  ASP 76  74  74  ASP ASP AAA . n 
A 1 77  LEU 77  75  75  LEU LEU AAA . n 
A 1 78  LEU 78  76  76  LEU LEU AAA . n 
A 1 79  LYS 79  77  77  LYS LYS AAA . n 
A 1 80  TYR 80  78  78  TYR TYR AAA . n 
A 1 81  GLU 81  79  79  GLU GLU AAA . n 
A 1 82  PHE 82  80  80  PHE PHE AAA . n 
A 1 83  ASP 83  81  81  ASP ASP AAA . n 
A 1 84  ILE 84  82  82  ILE ILE AAA . n 
A 1 85  GLU 85  83  83  GLU GLU AAA . n 
A 1 86  PHE 86  84  84  PHE PHE AAA . n 
A 1 87  ASP 87  85  85  ASP ASP AAA . n 
A 1 88  ILE 88  86  86  ILE ILE AAA . n 
A 1 89  PRO 89  87  87  PRO PRO AAA . n 
A 1 90  ILE 90  88  88  ILE ILE AAA . n 
A 1 91  THR 91  89  89  THR THR AAA . n 
A 1 92  TYR 92  90  90  TYR TYR AAA . n 
A 1 93  PRO 93  91  91  PRO PRO AAA . n 
A 1 94  THR 94  92  92  THR THR AAA . n 
A 1 95  THR 95  93  93  THR THR AAA . n 
A 1 96  ALA 96  94  94  ALA ALA AAA . n 
A 1 97  PRO 97  95  95  PRO PRO AAA . n 
A 1 98  GLU 98  96  96  GLU GLU AAA . n 
A 1 99  ILE 99  97  97  ILE ILE AAA . n 
A 1 100 ALA 100 98  98  ALA ALA AAA . n 
A 1 101 VAL 101 99  99  VAL VAL AAA . n 
A 1 102 PRO 102 100 100 PRO PRO AAA . n 
A 1 103 GLU 103 101 101 GLU GLU AAA . n 
A 1 104 LEU 104 102 102 LEU LEU AAA . n 
A 1 105 ASP 105 103 103 ASP ASP AAA . n 
A 1 106 GLY 106 104 104 GLY GLY AAA . n 
A 1 107 LYS 107 105 105 LYS LYS AAA . n 
A 1 108 THR 108 106 106 THR THR AAA . n 
A 1 109 ALA 109 107 107 ALA ALA AAA . n 
A 1 110 LYS 110 108 108 LYS LYS AAA . n 
A 1 111 MET 111 109 109 MET MET AAA . n 
A 1 112 TYR 112 110 110 TYR TYR AAA . n 
A 1 113 ARG 113 111 111 ARG ARG AAA . n 
A 1 114 GLY 114 112 112 GLY GLY AAA . n 
A 1 115 GLY 115 113 113 GLY GLY AAA . n 
A 1 116 LYS 116 114 114 LYS LYS AAA . n 
A 1 117 ILE 117 115 115 ILE ILE AAA . n 
A 1 118 CYS 118 116 116 CYS CYS AAA . n 
A 1 119 LEU 119 117 117 LEU LEU AAA . n 
A 1 120 THR 120 118 118 THR THR AAA . n 
A 1 121 ASP 121 119 119 ASP ASP AAA . n 
A 1 122 HIS 122 120 120 HIS HIS AAA . n 
A 1 123 PHE 123 121 121 PHE PHE AAA . n 
A 1 124 LYS 124 122 122 LYS LYS AAA . n 
A 1 125 PRO 125 123 123 PRO PRO AAA . n 
A 1 126 LEU 126 124 124 LEU LEU AAA . n 
A 1 127 TRP 127 125 125 TRP TRP AAA . n 
A 1 128 ALA 128 126 126 ALA ALA AAA . n 
A 1 129 ARG 129 127 127 ARG ARG AAA . n 
A 1 130 ASN 130 128 128 ASN ASN AAA . n 
A 1 131 VAL 131 129 129 VAL VAL AAA . n 
A 1 132 PRO 132 130 130 PRO PRO AAA . n 
A 1 133 LYS 133 131 131 LYS LYS AAA . n 
A 1 134 PHE 134 132 132 PHE PHE AAA . n 
A 1 135 GLY 135 133 133 GLY GLY AAA . n 
A 1 136 LEU 136 134 134 LEU LEU AAA . n 
A 1 137 ALA 137 135 135 ALA ALA AAA . n 
A 1 138 HIS 138 136 136 HIS HIS AAA . n 
A 1 139 LEU 139 137 137 LEU LEU AAA . n 
A 1 140 MET 140 138 138 MET MET AAA . n 
A 1 141 ALA 141 139 139 ALA ALA AAA . n 
A 1 142 LEU 142 140 140 LEU LEU AAA . n 
A 1 143 GLY 143 141 141 GLY GLY AAA . n 
A 1 144 LEU 144 142 142 LEU LEU AAA . n 
A 1 145 GLY 145 143 143 GLY GLY AAA . n 
A 1 146 PRO 146 144 144 PRO PRO AAA . n 
A 1 147 TRP 147 145 145 TRP TRP AAA . n 
A 1 148 LEU 148 146 146 LEU LEU AAA . n 
A 1 149 ALA 149 147 147 ALA ALA AAA . n 
A 1 150 VAL 150 148 148 VAL VAL AAA . n 
A 1 151 ILE 151 149 149 ILE ILE AAA . n 
A 1 152 ILE 152 150 150 ILE ILE AAA . n 
A 1 153 PRO 153 151 151 PRO PRO AAA . n 
A 1 154 ASP 154 152 152 ASP ASP AAA . n 
A 1 155 LEU 155 153 153 LEU LEU AAA . n 
A 1 156 ILE 156 154 154 ILE ILE AAA . n 
A 1 157 GLN 157 155 155 GLN GLN AAA . n 
A 1 158 LYS 158 156 156 LYS LYS AAA . n 
A 1 159 GLY 159 157 157 GLY GLY AAA . n 
A 1 160 VAL 160 158 158 VAL VAL AAA . n 
A 1 161 ILE 161 159 159 ILE ILE AAA . n 
A 1 162 HIS 162 160 160 HIS HIS AAA . n 
A 1 163 HIS 163 161 161 HIS HIS AAA . n 
A 1 164 LYS 164 162 162 LYS LYS AAA . n 
A 1 165 GLU 165 163 163 GLU GLU AAA . n 
A 1 166 LYS 166 164 164 LYS LYS AAA . n 
A 1 167 CYS 167 165 165 CYS CYS AAA . n 
A 1 168 ASN 168 166 ?   ?   ?   AAA . n 
A 1 169 GLN 169 167 ?   ?   ?   AAA . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 IMD 1   201 201 IMD IMD AAA . 
C 3 HOH 1   301 85  HOH HOH AAA . 
C 3 HOH 2   302 103 HOH HOH AAA . 
C 3 HOH 3   303 135 HOH HOH AAA . 
C 3 HOH 4   304 17  HOH HOH AAA . 
C 3 HOH 5   305 132 HOH HOH AAA . 
C 3 HOH 6   306 79  HOH HOH AAA . 
C 3 HOH 7   307 33  HOH HOH AAA . 
C 3 HOH 8   308 58  HOH HOH AAA . 
C 3 HOH 9   309 10  HOH HOH AAA . 
C 3 HOH 10  310 38  HOH HOH AAA . 
C 3 HOH 11  311 49  HOH HOH AAA . 
C 3 HOH 12  312 80  HOH HOH AAA . 
C 3 HOH 13  313 69  HOH HOH AAA . 
C 3 HOH 14  314 24  HOH HOH AAA . 
C 3 HOH 15  315 146 HOH HOH AAA . 
C 3 HOH 16  316 141 HOH HOH AAA . 
C 3 HOH 17  317 75  HOH HOH AAA . 
C 3 HOH 18  318 52  HOH HOH AAA . 
C 3 HOH 19  319 149 HOH HOH AAA . 
C 3 HOH 20  320 27  HOH HOH AAA . 
C 3 HOH 21  321 3   HOH HOH AAA . 
C 3 HOH 22  322 1   HOH HOH AAA . 
C 3 HOH 23  323 42  HOH HOH AAA . 
C 3 HOH 24  324 98  HOH HOH AAA . 
C 3 HOH 25  325 25  HOH HOH AAA . 
C 3 HOH 26  326 76  HOH HOH AAA . 
C 3 HOH 27  327 16  HOH HOH AAA . 
C 3 HOH 28  328 26  HOH HOH AAA . 
C 3 HOH 29  329 78  HOH HOH AAA . 
C 3 HOH 30  330 22  HOH HOH AAA . 
C 3 HOH 31  331 77  HOH HOH AAA . 
C 3 HOH 32  332 5   HOH HOH AAA . 
C 3 HOH 33  333 48  HOH HOH AAA . 
C 3 HOH 34  334 45  HOH HOH AAA . 
C 3 HOH 35  335 147 HOH HOH AAA . 
C 3 HOH 36  336 14  HOH HOH AAA . 
C 3 HOH 37  337 86  HOH HOH AAA . 
C 3 HOH 38  338 31  HOH HOH AAA . 
C 3 HOH 39  339 123 HOH HOH AAA . 
C 3 HOH 40  340 154 HOH HOH AAA . 
C 3 HOH 41  341 8   HOH HOH AAA . 
C 3 HOH 42  342 104 HOH HOH AAA . 
C 3 HOH 43  343 82  HOH HOH AAA . 
C 3 HOH 44  344 65  HOH HOH AAA . 
C 3 HOH 45  345 20  HOH HOH AAA . 
C 3 HOH 46  346 89  HOH HOH AAA . 
C 3 HOH 47  347 91  HOH HOH AAA . 
C 3 HOH 48  348 60  HOH HOH AAA . 
C 3 HOH 49  349 73  HOH HOH AAA . 
C 3 HOH 50  350 122 HOH HOH AAA . 
C 3 HOH 51  351 140 HOH HOH AAA . 
C 3 HOH 52  352 12  HOH HOH AAA . 
C 3 HOH 53  353 39  HOH HOH AAA . 
C 3 HOH 54  354 32  HOH HOH AAA . 
C 3 HOH 55  355 108 HOH HOH AAA . 
C 3 HOH 56  356 59  HOH HOH AAA . 
C 3 HOH 57  357 40  HOH HOH AAA . 
C 3 HOH 58  358 11  HOH HOH AAA . 
C 3 HOH 59  359 63  HOH HOH AAA . 
C 3 HOH 60  360 126 HOH HOH AAA . 
C 3 HOH 61  361 112 HOH HOH AAA . 
C 3 HOH 62  362 19  HOH HOH AAA . 
C 3 HOH 63  363 105 HOH HOH AAA . 
C 3 HOH 64  364 56  HOH HOH AAA . 
C 3 HOH 65  365 46  HOH HOH AAA . 
C 3 HOH 66  366 173 HOH HOH AAA . 
C 3 HOH 67  367 71  HOH HOH AAA . 
C 3 HOH 68  368 35  HOH HOH AAA . 
C 3 HOH 69  369 64  HOH HOH AAA . 
C 3 HOH 70  370 114 HOH HOH AAA . 
C 3 HOH 71  371 106 HOH HOH AAA . 
C 3 HOH 72  372 54  HOH HOH AAA . 
C 3 HOH 73  373 142 HOH HOH AAA . 
C 3 HOH 74  374 119 HOH HOH AAA . 
C 3 HOH 75  375 6   HOH HOH AAA . 
C 3 HOH 76  376 145 HOH HOH AAA . 
C 3 HOH 77  377 2   HOH HOH AAA . 
C 3 HOH 78  378 120 HOH HOH AAA . 
C 3 HOH 79  379 156 HOH HOH AAA . 
C 3 HOH 80  380 137 HOH HOH AAA . 
C 3 HOH 81  381 107 HOH HOH AAA . 
C 3 HOH 82  382 174 HOH HOH AAA . 
C 3 HOH 83  383 66  HOH HOH AAA . 
C 3 HOH 84  384 47  HOH HOH AAA . 
C 3 HOH 85  385 53  HOH HOH AAA . 
C 3 HOH 86  386 150 HOH HOH AAA . 
C 3 HOH 87  387 36  HOH HOH AAA . 
C 3 HOH 88  388 15  HOH HOH AAA . 
C 3 HOH 89  389 37  HOH HOH AAA . 
C 3 HOH 90  390 102 HOH HOH AAA . 
C 3 HOH 91  391 34  HOH HOH AAA . 
C 3 HOH 92  392 28  HOH HOH AAA . 
C 3 HOH 93  393 148 HOH HOH AAA . 
C 3 HOH 94  394 50  HOH HOH AAA . 
C 3 HOH 95  395 43  HOH HOH AAA . 
C 3 HOH 96  396 100 HOH HOH AAA . 
C 3 HOH 97  397 13  HOH HOH AAA . 
C 3 HOH 98  398 93  HOH HOH AAA . 
C 3 HOH 99  399 4   HOH HOH AAA . 
C 3 HOH 100 400 72  HOH HOH AAA . 
C 3 HOH 101 401 113 HOH HOH AAA . 
C 3 HOH 102 402 21  HOH HOH AAA . 
C 3 HOH 103 403 87  HOH HOH AAA . 
C 3 HOH 104 404 9   HOH HOH AAA . 
C 3 HOH 105 405 70  HOH HOH AAA . 
C 3 HOH 106 406 109 HOH HOH AAA . 
C 3 HOH 107 407 81  HOH HOH AAA . 
C 3 HOH 108 408 125 HOH HOH AAA . 
C 3 HOH 109 409 51  HOH HOH AAA . 
C 3 HOH 110 410 84  HOH HOH AAA . 
C 3 HOH 111 411 111 HOH HOH AAA . 
C 3 HOH 112 412 99  HOH HOH AAA . 
C 3 HOH 113 413 55  HOH HOH AAA . 
C 3 HOH 114 414 7   HOH HOH AAA . 
C 3 HOH 115 415 62  HOH HOH AAA . 
C 3 HOH 116 416 170 HOH HOH AAA . 
C 3 HOH 117 417 95  HOH HOH AAA . 
C 3 HOH 118 418 30  HOH HOH AAA . 
C 3 HOH 119 419 57  HOH HOH AAA . 
C 3 HOH 120 420 18  HOH HOH AAA . 
C 3 HOH 121 421 44  HOH HOH AAA . 
C 3 HOH 122 422 115 HOH HOH AAA . 
C 3 HOH 123 423 131 HOH HOH AAA . 
C 3 HOH 124 424 133 HOH HOH AAA . 
C 3 HOH 125 425 97  HOH HOH AAA . 
C 3 HOH 126 426 88  HOH HOH AAA . 
C 3 HOH 127 427 169 HOH HOH AAA . 
C 3 HOH 128 428 163 HOH HOH AAA . 
C 3 HOH 129 429 139 HOH HOH AAA . 
C 3 HOH 130 430 168 HOH HOH AAA . 
C 3 HOH 131 431 127 HOH HOH AAA . 
C 3 HOH 132 432 110 HOH HOH AAA . 
C 3 HOH 133 433 134 HOH HOH AAA . 
C 3 HOH 134 434 128 HOH HOH AAA . 
C 3 HOH 135 435 160 HOH HOH AAA . 
C 3 HOH 136 436 129 HOH HOH AAA . 
C 3 HOH 137 437 41  HOH HOH AAA . 
C 3 HOH 138 438 116 HOH HOH AAA . 
C 3 HOH 139 439 153 HOH HOH AAA . 
C 3 HOH 140 440 74  HOH HOH AAA . 
C 3 HOH 141 441 94  HOH HOH AAA . 
C 3 HOH 142 442 158 HOH HOH AAA . 
C 3 HOH 143 443 101 HOH HOH AAA . 
C 3 HOH 144 444 96  HOH HOH AAA . 
C 3 HOH 145 445 23  HOH HOH AAA . 
C 3 HOH 146 446 162 HOH HOH AAA . 
C 3 HOH 147 447 121 HOH HOH AAA . 
C 3 HOH 148 448 161 HOH HOH AAA . 
C 3 HOH 149 449 130 HOH HOH AAA . 
C 3 HOH 150 450 61  HOH HOH AAA . 
C 3 HOH 151 451 90  HOH HOH AAA . 
C 3 HOH 152 452 83  HOH HOH AAA . 
C 3 HOH 153 453 124 HOH HOH AAA . 
C 3 HOH 154 454 155 HOH HOH AAA . 
C 3 HOH 155 455 138 HOH HOH AAA . 
C 3 HOH 156 456 164 HOH HOH AAA . 
C 3 HOH 157 457 67  HOH HOH AAA . 
C 3 HOH 158 458 167 HOH HOH AAA . 
C 3 HOH 159 459 144 HOH HOH AAA . 
C 3 HOH 160 460 68  HOH HOH AAA . 
C 3 HOH 161 461 165 HOH HOH AAA . 
C 3 HOH 162 462 152 HOH HOH AAA . 
C 3 HOH 163 463 157 HOH HOH AAA . 
C 3 HOH 164 464 117 HOH HOH AAA . 
C 3 HOH 165 465 166 HOH HOH AAA . 
C 3 HOH 166 466 143 HOH HOH AAA . 
C 3 HOH 167 467 171 HOH HOH AAA . 
C 3 HOH 168 468 151 HOH HOH AAA . 
C 3 HOH 169 469 159 HOH HOH AAA . 
C 3 HOH 170 470 136 HOH HOH AAA . 
C 3 HOH 171 471 172 HOH HOH AAA . 
# 
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 AAA ARG 23  ? CD  ? A ARG 25  CD  
2  1 Y 1 AAA ARG 23  ? NE  ? A ARG 25  NE  
3  1 Y 1 AAA ARG 23  ? CZ  ? A ARG 25  CZ  
4  1 Y 1 AAA ARG 23  ? NH1 ? A ARG 25  NH1 
5  1 Y 1 AAA ARG 23  ? NH2 ? A ARG 25  NH2 
6  1 Y 1 AAA ARG 25  ? NH1 ? A ARG 27  NH1 
7  1 Y 1 AAA ARG 25  ? NH2 ? A ARG 27  NH2 
8  1 Y 1 AAA ARG 111 ? CD  ? A ARG 113 CD  
9  1 Y 1 AAA ARG 111 ? NE  ? A ARG 113 NE  
10 1 Y 1 AAA ARG 111 ? CZ  ? A ARG 113 CZ  
11 1 Y 1 AAA ARG 111 ? NH1 ? A ARG 113 NH1 
12 1 Y 1 AAA ARG 111 ? NH2 ? A ARG 113 NH2 
13 1 Y 1 AAA ILE 159 ? CG2 ? A ILE 161 CG2 
14 1 Y 1 AAA LYS 162 ? CG  ? A LYS 164 CG  
15 1 Y 1 AAA LYS 162 ? CD  ? A LYS 164 CD  
16 1 Y 1 AAA LYS 162 ? CE  ? A LYS 164 CE  
17 1 Y 1 AAA LYS 162 ? NZ  ? A LYS 164 NZ  
18 1 Y 1 AAA LYS 164 ? CG  ? A LYS 166 CG  
19 1 Y 1 AAA LYS 164 ? CD  ? A LYS 166 CD  
20 1 Y 1 AAA LYS 164 ? CE  ? A LYS 166 CE  
21 1 Y 1 AAA LYS 164 ? NZ  ? A LYS 166 NZ  
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0267           1 
? 'model building' ? ? ? ? ? ? ? ? ? ? ? Coot   ? ? ? 'WinCoot 0.9.6 EL' 2 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9GLK 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     47.300 
_cell.length_a_esd                 ? 
_cell.length_b                     47.300 
_cell.length_b_esd                 ? 
_cell.length_c                     143.270 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        8 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         9GLK 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                92 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 41 21 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9GLK 
_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             2.04 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          39.76 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              5.5 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '0.1M Bis-Tris pH 5.5, 2.0M Ammonium sulfate' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     298 
_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 200K' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2022-08-09 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.54187 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      'ROTATING ANODE' 
_diffrn_source.target                      ? 
_diffrn_source.type                        RIGAKU 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.54187 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_synchrotron_site       ? 
# 
_reflns.B_iso_Wilson_estimate                          19.320 
_reflns.entry_id                                       9GLK 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.03 
_reflns.d_resolution_low                               39.47 
_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                                     19946 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.5 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                3.38 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          10.38 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.19 
_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                                   0.973 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    2.03 
_reflns_shell.d_res_low                                     2.103 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           1.75 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1471 
_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                               2.18 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               0.959 
_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                                  0.49 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          99.8 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_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]                            -0.643 
_refine.aniso_B[1][2]                            0.000 
_refine.aniso_B[1][3]                            0.000 
_refine.aniso_B[2][2]                            -0.643 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            1.286 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               14.729 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.928 
_refine.correlation_coeff_Fo_to_Fc_free          0.901 
_refine.details                                  'Hydrogens have been added in their riding positions' 
_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                                 9GLK 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            2.030 
_refine.ls_d_res_low                             39.47 
_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                     11193 
_refine.ls_number_reflns_R_free                  564 
_refine.ls_number_reflns_R_work                  10629 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.875 
_refine.ls_percent_reflns_R_free                 5.039 
_refine.ls_R_factor_all                          0.211 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2471 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2085 
_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                    'MASK BULK SOLVENT' 
_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                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.255 
_refine.pdbx_overall_ESU_R_Free                  0.195 
_refine.pdbx_solvent_vdw_probe_radii             1.200 
_refine.pdbx_solvent_ion_probe_radii             0.800 
_refine.pdbx_solvent_shrinkage_radii             0.800 
_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   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             5.701 
_refine.overall_SU_ML                            0.147 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        1345 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         5 
_refine_hist.number_atoms_solvent             171 
_refine_hist.number_atoms_total               1521 
_refine_hist.d_res_high                       2.030 
_refine_hist.d_res_low                        39.47 
# 
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' ? 0.009  0.013  1420 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.015  1329 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.571  1.644  1930 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 1.334  1.582  3068 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 7.181  5.000  172  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 30.543 22.568 74   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 15.208 15.000 239  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 18.181 15.000 9    ? r_dihedral_angle_4_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.078  0.200  178  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.008  0.020  1614 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.002  0.020  330  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.202  0.200  328  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.206  0.200  1214 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.167  0.200  674  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.079  0.200  577  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.188  0.200  128  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.236  0.200  20   ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.232  0.200  75   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.255  0.200  22   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 1.063  1.437  682  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.058  1.432  681  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 1.696  2.140  856  ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 1.696  2.146  857  ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 1.535  1.532  738  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.534  1.534  739  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.298  2.232  1074 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 2.297  2.235  1075 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 5.264  17.807 1718 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 4.744  17.161 1677 ? r_lrange_other                 ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 2.030 2.083 . . 36 757 99.8741  . . . . 0.270 . . . . . . . . . . . 0.326 
'X-RAY DIFFRACTION' 2.083 2.140 . . 28 761 100.0000 . . . . 0.255 . . . . . . . . . . . 0.246 
'X-RAY DIFFRACTION' 2.140 2.202 . . 41 720 100.0000 . . . . 0.233 . . . . . . . . . . . 0.233 
'X-RAY DIFFRACTION' 2.202 2.269 . . 36 699 99.0566  . . . . 0.366 . . . . . . . . . . . 0.445 
'X-RAY DIFFRACTION' 2.269 2.343 . . 28 688 99.7215  . . . . 0.271 . . . . . . . . . . . 0.284 
'X-RAY DIFFRACTION' 2.343 2.425 . . 32 661 100.0000 . . . . 0.223 . . . . . . . . . . . 0.272 
'X-RAY DIFFRACTION' 2.425 2.517 . . 33 645 99.8527  . . . . 0.207 . . . . . . . . . . . 0.222 
'X-RAY DIFFRACTION' 2.517 2.619 . . 37 624 100.0000 . . . . 0.206 . . . . . . . . . . . 0.345 
'X-RAY DIFFRACTION' 2.619 2.735 . . 39 576 100.0000 . . . . 0.207 . . . . . . . . . . . 0.243 
'X-RAY DIFFRACTION' 2.735 2.868 . . 27 584 100.0000 . . . . 0.183 . . . . . . . . . . . 0.183 
'X-RAY DIFFRACTION' 2.868 3.023 . . 31 551 100.0000 . . . . 0.198 . . . . . . . . . . . 0.220 
'X-RAY DIFFRACTION' 3.023 3.205 . . 34 512 100.0000 . . . . 0.203 . . . . . . . . . . . 0.301 
'X-RAY DIFFRACTION' 3.205 3.425 . . 31 495 100.0000 . . . . 0.186 . . . . . . . . . . . 0.218 
'X-RAY DIFFRACTION' 3.425 3.698 . . 31 457 100.0000 . . . . 0.182 . . . . . . . . . . . 0.210 
'X-RAY DIFFRACTION' 3.698 4.048 . . 25 425 100.0000 . . . . 0.160 . . . . . . . . . . . 0.224 
'X-RAY DIFFRACTION' 4.048 4.521 . . 17 392 100.0000 . . . . 0.133 . . . . . . . . . . . 0.133 
'X-RAY DIFFRACTION' 4.521 5.212 . . 14 367 99.7382  . . . . 0.146 . . . . . . . . . . . 0.254 
'X-RAY DIFFRACTION' 5.212 6.362 . . 18 304 100.0000 . . . . 0.171 . . . . . . . . . . . 0.171 
'X-RAY DIFFRACTION' 6.362 8.908 . . 16 249 100.0000 . . . . 0.174 . . . . . . . . . . . 0.239 
'X-RAY DIFFRACTION' 8.908 39.47 . . 10 162 99.4220  . . . . 0.205 . . . . . . . . . . . 0.319 
# 
_struct.entry_id                     9GLK 
_struct.title                        'Crystal Structure of UFC1 E149I' 
_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        9GLK 
_struct_keywords.text            
'UFM1 conjugating enzyme1, UBC core domain containing protein, Brain development, Infantile encephalopathy, LIGASE' 
_struct_keywords.pdbx_keywords   LIGASE 
# 
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                    UFC1_HUMAN 
_struct_ref.pdbx_db_accession          Q9Y3C8 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;MADEATRRVVSEIPVLKTNAGPRDRELWVQRLKEEYQSLIRYVENNKNADNDWFRLESNKEGTRWFGKCWYIHDLLKYEF
DIEFDIPITYPTTAPEIAVPELDGKTAKMYRGGKICLTDHFKPLWARNVPKFGLAHLMALGLGPWLAVEIPDLIQKGVIQ
HKEKCNQ
;
_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              9GLK 
_struct_ref_seq.pdbx_strand_id                AAA 
_struct_ref_seq.seq_align_beg                 3 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 169 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q9Y3C8 
_struct_ref_seq.db_align_beg                  1 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  167 
_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       167 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 9GLK GLY AAA 1   ? UNP Q9Y3C8 ?   ?   'expression tag'      -1  1 
1 9GLK SER AAA 2   ? UNP Q9Y3C8 ?   ?   'expression tag'      0   2 
1 9GLK ILE AAA 151 ? UNP Q9Y3C8 GLU 149 'engineered mutation' 149 3 
1 9GLK HIS AAA 162 ? UNP Q9Y3C8 GLN 160 conflict              160 4 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,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 SER A 2   ? SER A 13  ? SER AAA 0   SER AAA 11  1 ? 12 
HELX_P HELX_P2 AA2 ASP A 26  ? ALA A 51  ? ASP AAA 24  ALA AAA 49  1 ? 26 
HELX_P HELX_P3 AA3 VAL A 101 ? ASP A 105 ? VAL AAA 99  ASP AAA 103 5 ? 5  
HELX_P HELX_P4 AA4 HIS A 122 ? VAL A 131 ? HIS AAA 120 VAL AAA 129 1 ? 10 
HELX_P HELX_P5 AA5 GLY A 135 ? GLY A 143 ? GLY AAA 133 GLY AAA 141 1 ? 9  
HELX_P HELX_P6 AA6 GLY A 143 ? LYS A 158 ? GLY AAA 141 LYS AAA 156 1 ? 16 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_conn.id                            disulf1 
_struct_conn.conn_type_id                  disulf 
_struct_conn.pdbx_leaving_atom_flag        ? 
_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            118 
_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           A 
_struct_conn.ptnr2_label_comp_id           CYS 
_struct_conn.ptnr2_label_seq_id            167 
_struct_conn.ptnr2_label_atom_id           SG 
_struct_conn.pdbx_ptnr2_label_alt_id       ? 
_struct_conn.pdbx_ptnr2_PDB_ins_code       ? 
_struct_conn.ptnr1_auth_asym_id            AAA 
_struct_conn.ptnr1_auth_comp_id            CYS 
_struct_conn.ptnr1_auth_seq_id             116 
_struct_conn.ptnr2_auth_asym_id            AAA 
_struct_conn.ptnr2_auth_comp_id            CYS 
_struct_conn.ptnr2_auth_seq_id             165 
_struct_conn.ptnr2_symmetry                4_454 
_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               2.355 
_struct_conn.pdbx_value_order              ? 
_struct_conn.pdbx_role                     ? 
# 
_struct_conn_type.id          disulf 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
_pdbx_modification_feature.ordinal                            1 
_pdbx_modification_feature.label_comp_id                      CYS 
_pdbx_modification_feature.label_asym_id                      A 
_pdbx_modification_feature.label_seq_id                       118 
_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      167 
_pdbx_modification_feature.modified_residue_label_alt_id      ? 
_pdbx_modification_feature.auth_comp_id                       CYS 
_pdbx_modification_feature.auth_asym_id                       AAA 
_pdbx_modification_feature.auth_seq_id                        116 
_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      AAA 
_pdbx_modification_feature.modified_residue_auth_seq_id       165 
_pdbx_modification_feature.modified_residue_PDB_ins_code      ? 
_pdbx_modification_feature.modified_residue_symmetry          4_454 
_pdbx_modification_feature.comp_id_linking_atom               SG 
_pdbx_modification_feature.modified_residue_id_linking_atom   SG 
_pdbx_modification_feature.modified_residue_id                . 
_pdbx_modification_feature.ref_pcm_id                         . 
_pdbx_modification_feature.ref_comp_id                        . 
_pdbx_modification_feature.type                               None 
_pdbx_modification_feature.category                           'Disulfide bridge' 
# 
loop_
_struct_mon_prot_cis.pdbx_id 
_struct_mon_prot_cis.label_comp_id 
_struct_mon_prot_cis.label_seq_id 
_struct_mon_prot_cis.label_asym_id 
_struct_mon_prot_cis.label_alt_id 
_struct_mon_prot_cis.pdbx_PDB_ins_code 
_struct_mon_prot_cis.auth_comp_id 
_struct_mon_prot_cis.auth_seq_id 
_struct_mon_prot_cis.auth_asym_id 
_struct_mon_prot_cis.pdbx_label_comp_id_2 
_struct_mon_prot_cis.pdbx_label_seq_id_2 
_struct_mon_prot_cis.pdbx_label_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2 
_struct_mon_prot_cis.pdbx_auth_comp_id_2 
_struct_mon_prot_cis.pdbx_auth_seq_id_2 
_struct_mon_prot_cis.pdbx_auth_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_model_num 
_struct_mon_prot_cis.pdbx_omega_angle 
1 TYR 92  A . ? TYR 90  AAA PRO 93  A ? PRO 91  AAA 1 3.16  
2 VAL 131 A . ? VAL 129 AAA PRO 132 A ? PRO 130 AAA 1 -7.75 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   3 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 PHE A 56 ? SER A 60 ? PHE AAA 54 SER AAA 58 
AA1 2 ARG A 66 ? HIS A 75 ? ARG AAA 64 HIS AAA 73 
AA1 3 LEU A 78 ? ASP A 87 ? LEU AAA 76 ASP AAA 85 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N GLU A 59 ? N GLU AAA 57 O PHE A 68 ? O PHE AAA 66 
AA1 2 3 N TYR A 73 ? N TYR AAA 71 O TYR A 80 ? O TYR AAA 78 
# 
_pdbx_entry_details.entry_id                   9GLK 
_pdbx_entry_details.has_ligand_of_interest     N 
_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 LYS AAA 17  ? ? -130.27 -48.65  
2 1 ARG AAA 25  ? ? 55.01   -129.95 
3 1 LEU AAA 75  ? ? 69.23   -0.83   
4 1 LYS AAA 108 ? ? -88.24  40.57   
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    AAA 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     372 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   C 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
_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                      AAA 
_pdbx_distant_solvent_atoms.auth_comp_id                      HOH 
_pdbx_distant_solvent_atoms.auth_seq_id                       471 
_pdbx_distant_solvent_atoms.PDB_ins_code                      ? 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance   6.06 
_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 AAA ASN 166 ? A ASN 168 
2 1 Y 1 AAA GLN 167 ? A GLN 169 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
GLN N    N N N 88  
GLN CA   C N S 89  
GLN C    C N N 90  
GLN O    O N N 91  
GLN CB   C N N 92  
GLN CG   C N N 93  
GLN CD   C N N 94  
GLN OE1  O N N 95  
GLN NE2  N N N 96  
GLN OXT  O N N 97  
GLN H    H N N 98  
GLN H2   H N N 99  
GLN HA   H N N 100 
GLN HB2  H N N 101 
GLN HB3  H N N 102 
GLN HG2  H N N 103 
GLN HG3  H N N 104 
GLN HE21 H N N 105 
GLN HE22 H N N 106 
GLN HXT  H N N 107 
GLU N    N N N 108 
GLU CA   C N S 109 
GLU C    C N N 110 
GLU O    O N N 111 
GLU CB   C N N 112 
GLU CG   C N N 113 
GLU CD   C N N 114 
GLU OE1  O N N 115 
GLU OE2  O N N 116 
GLU OXT  O N N 117 
GLU H    H N N 118 
GLU H2   H N N 119 
GLU HA   H N N 120 
GLU HB2  H N N 121 
GLU HB3  H N N 122 
GLU HG2  H N N 123 
GLU HG3  H N N 124 
GLU HE2  H N N 125 
GLU HXT  H N N 126 
GLY N    N N N 127 
GLY CA   C N N 128 
GLY C    C N N 129 
GLY O    O N N 130 
GLY OXT  O N N 131 
GLY H    H N N 132 
GLY H2   H N N 133 
GLY HA2  H N N 134 
GLY HA3  H N N 135 
GLY HXT  H N N 136 
HIS N    N N N 137 
HIS CA   C N S 138 
HIS C    C N N 139 
HIS O    O N N 140 
HIS CB   C N N 141 
HIS CG   C Y N 142 
HIS ND1  N Y N 143 
HIS CD2  C Y N 144 
HIS CE1  C Y N 145 
HIS NE2  N Y N 146 
HIS OXT  O N N 147 
HIS H    H N N 148 
HIS H2   H N N 149 
HIS HA   H N N 150 
HIS HB2  H N N 151 
HIS HB3  H N N 152 
HIS HD1  H N N 153 
HIS HD2  H N N 154 
HIS HE1  H N N 155 
HIS HE2  H N N 156 
HIS HXT  H N N 157 
HOH O    O N N 158 
HOH H1   H N N 159 
HOH H2   H N N 160 
ILE N    N N N 161 
ILE CA   C N S 162 
ILE C    C N N 163 
ILE O    O N N 164 
ILE CB   C N S 165 
ILE CG1  C N N 166 
ILE CG2  C N N 167 
ILE CD1  C N N 168 
ILE OXT  O N N 169 
ILE H    H N N 170 
ILE H2   H N N 171 
ILE HA   H N N 172 
ILE HB   H N N 173 
ILE HG12 H N N 174 
ILE HG13 H N N 175 
ILE HG21 H N N 176 
ILE HG22 H N N 177 
ILE HG23 H N N 178 
ILE HD11 H N N 179 
ILE HD12 H N N 180 
ILE HD13 H N N 181 
ILE HXT  H N N 182 
IMD N1   N Y N 183 
IMD C2   C Y N 184 
IMD N3   N Y N 185 
IMD C4   C Y N 186 
IMD C5   C Y N 187 
IMD HN1  H N N 188 
IMD H2   H N N 189 
IMD HN3  H N N 190 
IMD H4   H N N 191 
IMD H5   H N N 192 
LEU N    N N N 193 
LEU CA   C N S 194 
LEU C    C N N 195 
LEU O    O N N 196 
LEU CB   C N N 197 
LEU CG   C N N 198 
LEU CD1  C N N 199 
LEU CD2  C N N 200 
LEU OXT  O N N 201 
LEU H    H N N 202 
LEU H2   H N N 203 
LEU HA   H N N 204 
LEU HB2  H N N 205 
LEU HB3  H N N 206 
LEU HG   H N N 207 
LEU HD11 H N N 208 
LEU HD12 H N N 209 
LEU HD13 H N N 210 
LEU HD21 H N N 211 
LEU HD22 H N N 212 
LEU HD23 H N N 213 
LEU HXT  H N N 214 
LYS N    N N N 215 
LYS CA   C N S 216 
LYS C    C N N 217 
LYS O    O N N 218 
LYS CB   C N N 219 
LYS CG   C N N 220 
LYS CD   C N N 221 
LYS CE   C N N 222 
LYS NZ   N N N 223 
LYS OXT  O N N 224 
LYS H    H N N 225 
LYS H2   H N N 226 
LYS HA   H N N 227 
LYS HB2  H N N 228 
LYS HB3  H N N 229 
LYS HG2  H N N 230 
LYS HG3  H N N 231 
LYS HD2  H N N 232 
LYS HD3  H N N 233 
LYS HE2  H N N 234 
LYS HE3  H N N 235 
LYS HZ1  H N N 236 
LYS HZ2  H N N 237 
LYS HZ3  H N N 238 
LYS HXT  H N N 239 
MET N    N N N 240 
MET CA   C N S 241 
MET C    C N N 242 
MET O    O N N 243 
MET CB   C N N 244 
MET CG   C N N 245 
MET SD   S N N 246 
MET CE   C N N 247 
MET OXT  O N N 248 
MET H    H N N 249 
MET H2   H N N 250 
MET HA   H N N 251 
MET HB2  H N N 252 
MET HB3  H N N 253 
MET HG2  H N N 254 
MET HG3  H N N 255 
MET HE1  H N N 256 
MET HE2  H N N 257 
MET HE3  H N N 258 
MET HXT  H N N 259 
PHE N    N N N 260 
PHE CA   C N S 261 
PHE C    C N N 262 
PHE O    O N N 263 
PHE CB   C N N 264 
PHE CG   C Y N 265 
PHE CD1  C Y N 266 
PHE CD2  C Y N 267 
PHE CE1  C Y N 268 
PHE CE2  C Y N 269 
PHE CZ   C Y N 270 
PHE OXT  O N N 271 
PHE H    H N N 272 
PHE H2   H N N 273 
PHE HA   H N N 274 
PHE HB2  H N N 275 
PHE HB3  H N N 276 
PHE HD1  H N N 277 
PHE HD2  H N N 278 
PHE HE1  H N N 279 
PHE HE2  H N N 280 
PHE HZ   H N N 281 
PHE HXT  H N N 282 
PRO N    N N N 283 
PRO CA   C N S 284 
PRO C    C N N 285 
PRO O    O N N 286 
PRO CB   C N N 287 
PRO CG   C N N 288 
PRO CD   C N N 289 
PRO OXT  O N N 290 
PRO H    H N N 291 
PRO HA   H N N 292 
PRO HB2  H N N 293 
PRO HB3  H N N 294 
PRO HG2  H N N 295 
PRO HG3  H N N 296 
PRO HD2  H N N 297 
PRO HD3  H N N 298 
PRO HXT  H N N 299 
SER N    N N N 300 
SER CA   C N S 301 
SER C    C N N 302 
SER O    O N N 303 
SER CB   C N N 304 
SER OG   O N N 305 
SER OXT  O N N 306 
SER H    H N N 307 
SER H2   H N N 308 
SER HA   H N N 309 
SER HB2  H N N 310 
SER HB3  H N N 311 
SER HG   H N N 312 
SER HXT  H N N 313 
THR N    N N N 314 
THR CA   C N S 315 
THR C    C N N 316 
THR O    O N N 317 
THR CB   C N R 318 
THR OG1  O N N 319 
THR CG2  C N N 320 
THR OXT  O N N 321 
THR H    H N N 322 
THR H2   H N N 323 
THR HA   H N N 324 
THR HB   H N N 325 
THR HG1  H N N 326 
THR HG21 H N N 327 
THR HG22 H N N 328 
THR HG23 H N N 329 
THR HXT  H N N 330 
TRP N    N N N 331 
TRP CA   C N S 332 
TRP C    C N N 333 
TRP O    O N N 334 
TRP CB   C N N 335 
TRP CG   C Y N 336 
TRP CD1  C Y N 337 
TRP CD2  C Y N 338 
TRP NE1  N Y N 339 
TRP CE2  C Y N 340 
TRP CE3  C Y N 341 
TRP CZ2  C Y N 342 
TRP CZ3  C Y N 343 
TRP CH2  C Y N 344 
TRP OXT  O N N 345 
TRP H    H N N 346 
TRP H2   H N N 347 
TRP HA   H N N 348 
TRP HB2  H N N 349 
TRP HB3  H N N 350 
TRP HD1  H N N 351 
TRP HE1  H N N 352 
TRP HE3  H N N 353 
TRP HZ2  H N N 354 
TRP HZ3  H N N 355 
TRP HH2  H N N 356 
TRP HXT  H N N 357 
TYR N    N N N 358 
TYR CA   C N S 359 
TYR C    C N N 360 
TYR O    O N N 361 
TYR CB   C N N 362 
TYR CG   C Y N 363 
TYR CD1  C Y N 364 
TYR CD2  C Y N 365 
TYR CE1  C Y N 366 
TYR CE2  C Y N 367 
TYR CZ   C Y N 368 
TYR OH   O N N 369 
TYR OXT  O N N 370 
TYR H    H N N 371 
TYR H2   H N N 372 
TYR HA   H N N 373 
TYR HB2  H N N 374 
TYR HB3  H N N 375 
TYR HD1  H N N 376 
TYR HD2  H N N 377 
TYR HE1  H N N 378 
TYR HE2  H N N 379 
TYR HH   H N N 380 
TYR HXT  H N N 381 
VAL N    N N N 382 
VAL CA   C N S 383 
VAL C    C N N 384 
VAL O    O N N 385 
VAL CB   C N N 386 
VAL CG1  C N N 387 
VAL CG2  C N N 388 
VAL OXT  O N N 389 
VAL H    H N N 390 
VAL H2   H N N 391 
VAL HA   H N N 392 
VAL HB   H N N 393 
VAL HG11 H N N 394 
VAL HG12 H N N 395 
VAL HG13 H N N 396 
VAL HG21 H N N 397 
VAL HG22 H N N 398 
VAL HG23 H N N 399 
VAL HXT  H N N 400 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
HIS N   CA   sing N N 129 
HIS N   H    sing N N 130 
HIS N   H2   sing N N 131 
HIS CA  C    sing N N 132 
HIS CA  CB   sing N N 133 
HIS CA  HA   sing N N 134 
HIS C   O    doub N N 135 
HIS C   OXT  sing N N 136 
HIS CB  CG   sing N N 137 
HIS CB  HB2  sing N N 138 
HIS CB  HB3  sing N N 139 
HIS CG  ND1  sing Y N 140 
HIS CG  CD2  doub Y N 141 
HIS ND1 CE1  doub Y N 142 
HIS ND1 HD1  sing N N 143 
HIS CD2 NE2  sing Y N 144 
HIS CD2 HD2  sing N N 145 
HIS CE1 NE2  sing Y N 146 
HIS CE1 HE1  sing N N 147 
HIS NE2 HE2  sing N N 148 
HIS OXT HXT  sing N N 149 
HOH O   H1   sing N N 150 
HOH O   H2   sing N N 151 
ILE N   CA   sing N N 152 
ILE N   H    sing N N 153 
ILE N   H2   sing N N 154 
ILE CA  C    sing N N 155 
ILE CA  CB   sing N N 156 
ILE CA  HA   sing N N 157 
ILE C   O    doub N N 158 
ILE C   OXT  sing N N 159 
ILE CB  CG1  sing N N 160 
ILE CB  CG2  sing N N 161 
ILE CB  HB   sing N N 162 
ILE CG1 CD1  sing N N 163 
ILE CG1 HG12 sing N N 164 
ILE CG1 HG13 sing N N 165 
ILE CG2 HG21 sing N N 166 
ILE CG2 HG22 sing N N 167 
ILE CG2 HG23 sing N N 168 
ILE CD1 HD11 sing N N 169 
ILE CD1 HD12 sing N N 170 
ILE CD1 HD13 sing N N 171 
ILE OXT HXT  sing N N 172 
IMD N1  C2   sing Y N 173 
IMD N1  C5   sing Y N 174 
IMD N1  HN1  sing N N 175 
IMD C2  N3   doub Y N 176 
IMD C2  H2   sing N N 177 
IMD N3  C4   sing Y N 178 
IMD N3  HN3  sing N N 179 
IMD C4  C5   doub Y N 180 
IMD C4  H4   sing N N 181 
IMD C5  H5   sing N N 182 
LEU N   CA   sing N N 183 
LEU N   H    sing N N 184 
LEU N   H2   sing N N 185 
LEU CA  C    sing N N 186 
LEU CA  CB   sing N N 187 
LEU CA  HA   sing N N 188 
LEU C   O    doub N N 189 
LEU C   OXT  sing N N 190 
LEU CB  CG   sing N N 191 
LEU CB  HB2  sing N N 192 
LEU CB  HB3  sing N N 193 
LEU CG  CD1  sing N N 194 
LEU CG  CD2  sing N N 195 
LEU CG  HG   sing N N 196 
LEU CD1 HD11 sing N N 197 
LEU CD1 HD12 sing N N 198 
LEU CD1 HD13 sing N N 199 
LEU CD2 HD21 sing N N 200 
LEU CD2 HD22 sing N N 201 
LEU CD2 HD23 sing N N 202 
LEU OXT HXT  sing N N 203 
LYS N   CA   sing N N 204 
LYS N   H    sing N N 205 
LYS N   H2   sing N N 206 
LYS CA  C    sing N N 207 
LYS CA  CB   sing N N 208 
LYS CA  HA   sing N N 209 
LYS C   O    doub N N 210 
LYS C   OXT  sing N N 211 
LYS CB  CG   sing N N 212 
LYS CB  HB2  sing N N 213 
LYS CB  HB3  sing N N 214 
LYS CG  CD   sing N N 215 
LYS CG  HG2  sing N N 216 
LYS CG  HG3  sing N N 217 
LYS CD  CE   sing N N 218 
LYS CD  HD2  sing N N 219 
LYS CD  HD3  sing N N 220 
LYS CE  NZ   sing N N 221 
LYS CE  HE2  sing N N 222 
LYS CE  HE3  sing N N 223 
LYS NZ  HZ1  sing N N 224 
LYS NZ  HZ2  sing N N 225 
LYS NZ  HZ3  sing N N 226 
LYS OXT HXT  sing N N 227 
MET N   CA   sing N N 228 
MET N   H    sing N N 229 
MET N   H2   sing N N 230 
MET CA  C    sing N N 231 
MET CA  CB   sing N N 232 
MET CA  HA   sing N N 233 
MET C   O    doub N N 234 
MET C   OXT  sing N N 235 
MET CB  CG   sing N N 236 
MET CB  HB2  sing N N 237 
MET CB  HB3  sing N N 238 
MET CG  SD   sing N N 239 
MET CG  HG2  sing N N 240 
MET CG  HG3  sing N N 241 
MET SD  CE   sing N N 242 
MET CE  HE1  sing N N 243 
MET CE  HE2  sing N N 244 
MET CE  HE3  sing N N 245 
MET OXT HXT  sing N N 246 
PHE N   CA   sing N N 247 
PHE N   H    sing N N 248 
PHE N   H2   sing N N 249 
PHE CA  C    sing N N 250 
PHE CA  CB   sing N N 251 
PHE CA  HA   sing N N 252 
PHE C   O    doub N N 253 
PHE C   OXT  sing N N 254 
PHE CB  CG   sing N N 255 
PHE CB  HB2  sing N N 256 
PHE CB  HB3  sing N N 257 
PHE CG  CD1  doub Y N 258 
PHE CG  CD2  sing Y N 259 
PHE CD1 CE1  sing Y N 260 
PHE CD1 HD1  sing N N 261 
PHE CD2 CE2  doub Y N 262 
PHE CD2 HD2  sing N N 263 
PHE CE1 CZ   doub Y N 264 
PHE CE1 HE1  sing N N 265 
PHE CE2 CZ   sing Y N 266 
PHE CE2 HE2  sing N N 267 
PHE CZ  HZ   sing N N 268 
PHE OXT HXT  sing N N 269 
PRO N   CA   sing N N 270 
PRO N   CD   sing N N 271 
PRO N   H    sing N N 272 
PRO CA  C    sing N N 273 
PRO CA  CB   sing N N 274 
PRO CA  HA   sing N N 275 
PRO C   O    doub N N 276 
PRO C   OXT  sing N N 277 
PRO CB  CG   sing N N 278 
PRO CB  HB2  sing N N 279 
PRO CB  HB3  sing N N 280 
PRO CG  CD   sing N N 281 
PRO CG  HG2  sing N N 282 
PRO CG  HG3  sing N N 283 
PRO CD  HD2  sing N N 284 
PRO CD  HD3  sing N N 285 
PRO OXT HXT  sing N N 286 
SER N   CA   sing N N 287 
SER N   H    sing N N 288 
SER N   H2   sing N N 289 
SER CA  C    sing N N 290 
SER CA  CB   sing N N 291 
SER CA  HA   sing N N 292 
SER C   O    doub N N 293 
SER C   OXT  sing N N 294 
SER CB  OG   sing N N 295 
SER CB  HB2  sing N N 296 
SER CB  HB3  sing N N 297 
SER OG  HG   sing N N 298 
SER OXT HXT  sing N N 299 
THR N   CA   sing N N 300 
THR N   H    sing N N 301 
THR N   H2   sing N N 302 
THR CA  C    sing N N 303 
THR CA  CB   sing N N 304 
THR CA  HA   sing N N 305 
THR C   O    doub N N 306 
THR C   OXT  sing N N 307 
THR CB  OG1  sing N N 308 
THR CB  CG2  sing N N 309 
THR CB  HB   sing N N 310 
THR OG1 HG1  sing N N 311 
THR CG2 HG21 sing N N 312 
THR CG2 HG22 sing N N 313 
THR CG2 HG23 sing N N 314 
THR OXT HXT  sing N N 315 
TRP N   CA   sing N N 316 
TRP N   H    sing N N 317 
TRP N   H2   sing N N 318 
TRP CA  C    sing N N 319 
TRP CA  CB   sing N N 320 
TRP CA  HA   sing N N 321 
TRP C   O    doub N N 322 
TRP C   OXT  sing N N 323 
TRP CB  CG   sing N N 324 
TRP CB  HB2  sing N N 325 
TRP CB  HB3  sing N N 326 
TRP CG  CD1  doub Y N 327 
TRP CG  CD2  sing Y N 328 
TRP CD1 NE1  sing Y N 329 
TRP CD1 HD1  sing N N 330 
TRP CD2 CE2  doub Y N 331 
TRP CD2 CE3  sing Y N 332 
TRP NE1 CE2  sing Y N 333 
TRP NE1 HE1  sing N N 334 
TRP CE2 CZ2  sing Y N 335 
TRP CE3 CZ3  doub Y N 336 
TRP CE3 HE3  sing N N 337 
TRP CZ2 CH2  doub Y N 338 
TRP CZ2 HZ2  sing N N 339 
TRP CZ3 CH2  sing Y N 340 
TRP CZ3 HZ3  sing N N 341 
TRP CH2 HH2  sing N N 342 
TRP OXT HXT  sing N N 343 
TYR N   CA   sing N N 344 
TYR N   H    sing N N 345 
TYR N   H2   sing N N 346 
TYR CA  C    sing N N 347 
TYR CA  CB   sing N N 348 
TYR CA  HA   sing N N 349 
TYR C   O    doub N N 350 
TYR C   OXT  sing N N 351 
TYR CB  CG   sing N N 352 
TYR CB  HB2  sing N N 353 
TYR CB  HB3  sing N N 354 
TYR CG  CD1  doub Y N 355 
TYR CG  CD2  sing Y N 356 
TYR CD1 CE1  sing Y N 357 
TYR CD1 HD1  sing N N 358 
TYR CD2 CE2  doub Y N 359 
TYR CD2 HD2  sing N N 360 
TYR CE1 CZ   doub Y N 361 
TYR CE1 HE1  sing N N 362 
TYR CE2 CZ   sing Y N 363 
TYR CE2 HE2  sing N N 364 
TYR CZ  OH   sing N N 365 
TYR OH  HH   sing N N 366 
TYR OXT HXT  sing N N 367 
VAL N   CA   sing N N 368 
VAL N   H    sing N N 369 
VAL N   H2   sing N N 370 
VAL CA  C    sing N N 371 
VAL CA  CB   sing N N 372 
VAL CA  HA   sing N N 373 
VAL C   O    doub N N 374 
VAL C   OXT  sing N N 375 
VAL CB  CG1  sing N N 376 
VAL CB  CG2  sing N N 377 
VAL CB  HB   sing N N 378 
VAL CG1 HG11 sing N N 379 
VAL CG1 HG12 sing N N 380 
VAL CG1 HG13 sing N N 381 
VAL CG2 HG21 sing N N 382 
VAL CG2 HG22 sing N N 383 
VAL CG2 HG23 sing N N 384 
VAL OXT HXT  sing N N 385 
# 
_pdbx_audit_support.funding_organization   'Israel Science Foundation' 
_pdbx_audit_support.country                Israel 
_pdbx_audit_support.grant_number           491/2021 
_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   2Z6O 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9GLK 
_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]   0.021142 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.021142 
_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]   0.006980 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.pdbx_scat_Z 
_atom_type.pdbx_N_electrons 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
C 6  6  2.310  20.844 1.020 10.208 1.589 0.569  0.865 51.651 0.216   
H 1  1  0.493  10.511 0.323 26.126 0.140 3.142  0.041 57.800 0.003   
N 7  7  12.222 0.006  3.135 9.893  2.014 28.997 1.167 0.583  -11.538 
O 8  8  3.049  13.277 2.287 5.701  1.546 0.324  0.867 32.909 0.251   
S 16 16 6.905  1.468  5.203 22.215 1.438 0.254  1.586 56.172 1.184   
# 
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_site.calc_flag 
ATOM   1    N N   . GLY A 1 1   ? 24.927  22.681  5.030  1.000 44.576 0 -1  GLY AAA N   1 ? 
ATOM   2    C CA  . GLY A 1 1   ? 25.204  24.053  5.597  1.000 41.657 0 -1  GLY AAA CA  1 ? 
ATOM   3    C C   . GLY A 1 1   ? 23.942  24.831  5.961  1.000 38.372 0 -1  GLY AAA C   1 ? 
ATOM   4    O O   . GLY A 1 1   ? 24.086  25.878  6.641  1.000 42.349 0 -1  GLY AAA O   1 ? 
ATOM   5    N N   . SER A 1 2   ? 22.750  24.365  5.556  1.000 31.648 0 0   SER AAA N   1 ? 
ATOM   6    C CA  . SER A 1 2   ? 21.455  25.035  5.847  1.000 28.579 0 0   SER AAA CA  1 ? 
ATOM   7    C C   . SER A 1 2   ? 21.237  25.087  7.370  1.000 27.417 0 0   SER AAA C   1 ? 
ATOM   8    O O   . SER A 1 2   ? 21.535  24.053  8.094  1.000 25.517 0 0   SER AAA O   1 ? 
ATOM   9    C CB  . SER A 1 2   ? 20.312  24.326  5.148  1.000 30.062 0 0   SER AAA CB  1 ? 
ATOM   10   O OG  . SER A 1 2   ? 19.505  23.602  6.064  1.000 32.328 0 0   SER AAA OG  1 ? 
ATOM   11   N N   . MET A 1 3   ? 20.710  26.210  7.870  1.000 22.758 0 1   MET AAA N   1 ? 
ATOM   12   C CA  . MET A 1 3   ? 20.240  26.269  9.276  1.000 19.098 0 1   MET AAA CA  1 ? 
ATOM   13   C C   . MET A 1 3   ? 19.121  25.229  9.470  1.000 17.705 0 1   MET AAA C   1 ? 
ATOM   14   O O   . MET A 1 3   ? 19.102  24.573  10.539 1.000 16.143 0 1   MET AAA O   1 ? 
ATOM   15   C CB  . MET A 1 3   ? 19.720  27.654  9.659  1.000 18.027 0 1   MET AAA CB  1 ? 
ATOM   16   C CG  . MET A 1 3   ? 20.802  28.648  10.008 1.000 17.400 0 1   MET AAA CG  1 ? 
ATOM   17   S SD  . MET A 1 3   ? 20.103  30.235  10.572 1.000 15.869 0 1   MET AAA SD  1 ? 
ATOM   18   C CE  . MET A 1 3   ? 19.579  29.816  12.232 1.000 15.935 0 1   MET AAA CE  1 ? 
ATOM   19   N N   . ALA A 1 4   ? 18.224  25.080  8.490  1.000 16.493 0 2   ALA AAA N   1 ? 
ATOM   20   C CA  . ALA A 1 4   ? 17.062  24.157  8.558  1.000 16.177 0 2   ALA AAA CA  1 ? 
ATOM   21   C C   . ALA A 1 4   ? 17.567  22.749  8.837  1.000 15.393 0 2   ALA AAA C   1 ? 
ATOM   22   O O   . ALA A 1 4   ? 17.090  22.097  9.753  1.000 15.464 0 2   ALA AAA O   1 ? 
ATOM   23   C CB  . ALA A 1 4   ? 16.278  24.183  7.261  1.000 16.496 0 2   ALA AAA CB  1 ? 
ATOM   24   N N   . ASP A 1 5   ? 18.529  22.303  8.044  1.000 14.863 0 3   ASP AAA N   1 ? 
ATOM   25   C CA  . ASP A 1 5   ? 19.042  20.917  8.112  1.000 15.071 0 3   ASP AAA CA  1 ? 
ATOM   26   C C   . ASP A 1 5   ? 19.614  20.648  9.508  1.000 14.071 0 3   ASP AAA C   1 ? 
ATOM   27   O O   . ASP A 1 5   ? 19.322  19.577  10.067 1.000 14.241 0 3   ASP AAA O   1 ? 
ATOM   28   C CB  . ASP A 1 5   ? 20.080  20.678  7.012  1.000 16.459 0 3   ASP AAA CB  1 ? 
ATOM   29   C CG  . ASP A 1 5   ? 19.461  20.471  5.640  1.000 16.260 0 3   ASP AAA CG  1 ? 
ATOM   30   O OD1 . ASP A 1 5   ? 18.216  20.539  5.531  1.000 16.125 0 3   ASP AAA OD1 1 ? 
ATOM   31   O OD2 . ASP A 1 5   ? 20.232  20.216  4.708  1.000 16.904 0 3   ASP AAA OD2 1 ? 
ATOM   32   N N   . GLU A 1 6   ? 20.404  21.577  10.044 1.000 12.811 0 4   GLU AAA N   1 ? 
ATOM   33   C CA  . GLU A 1 6   ? 21.033  21.433  11.383 1.000 12.942 0 4   GLU AAA CA  1 ? 
ATOM   34   C C   . GLU A 1 6   ? 19.961  21.477  12.486 1.000 12.686 0 4   GLU AAA C   1 ? 
ATOM   35   O O   . GLU A 1 6   ? 20.041  20.647  13.418 1.000 11.563 0 4   GLU AAA O   1 ? 
ATOM   36   C CB  . GLU A 1 6   ? 22.115  22.486  11.596 1.000 12.935 0 4   GLU AAA CB  1 ? 
ATOM   37   C CG  . GLU A 1 6   ? 22.782  22.403  12.961 1.000 13.786 0 4   GLU AAA CG  1 ? 
ATOM   38   C CD  . GLU A 1 6   ? 23.596  21.140  13.261 1.000 14.742 0 4   GLU AAA CD  1 ? 
ATOM   39   O OE1 . GLU A 1 6   ? 23.786  20.269  12.352 1.000 14.531 0 4   GLU AAA OE1 1 ? 
ATOM   40   O OE2 . GLU A 1 6   ? 24.043  21.012  14.404 1.000 15.649 0 4   GLU AAA OE2 1 ? 
ATOM   41   N N   . ALA A 1 7   ? 18.978  22.369  12.369 1.000 12.133 0 5   ALA AAA N   1 ? 
ATOM   42   C CA  . ALA A 1 7   ? 17.865  22.495  13.326 1.000 12.938 0 5   ALA AAA CA  1 ? 
ATOM   43   C C   . ALA A 1 7   ? 17.107  21.158  13.427 1.000 12.907 0 5   ALA AAA C   1 ? 
ATOM   44   O O   . ALA A 1 7   ? 16.849  20.672  14.565 1.000 12.449 0 5   ALA AAA O   1 ? 
ATOM   45   C CB  . ALA A 1 7   ? 16.980  23.642  12.902 1.000 14.046 0 5   ALA AAA CB  1 ? 
ATOM   46   N N   . THR A 1 8   ? 16.784  20.546  12.293 1.000 13.105 0 6   THR AAA N   1 ? 
ATOM   47   C CA  . THR A 1 8   ? 16.028  19.266  12.240 1.000 13.884 0 6   THR AAA CA  1 ? 
ATOM   48   C C   . THR A 1 8   ? 16.866  18.159  12.893 1.000 14.341 0 6   THR AAA C   1 ? 
ATOM   49   O O   . THR A 1 8   ? 16.327  17.377  13.715 1.000 13.479 0 6   THR AAA O   1 ? 
ATOM   50   C CB  . THR A 1 8   ? 15.686  18.887  10.797 1.000 14.451 0 6   THR AAA CB  1 ? 
ATOM   51   O OG1 . THR A 1 8   ? 14.872  19.942  10.296 1.000 14.541 0 6   THR AAA OG1 1 ? 
ATOM   52   C CG2 . THR A 1 8   ? 14.944  17.576  10.675 1.000 14.266 0 6   THR AAA CG2 1 ? 
ATOM   53   N N   . ARG A 1 9   ? 18.149  18.113  12.555 1.000 14.541 0 7   ARG AAA N   1 ? 
ATOM   54   C CA  . ARG A 1 9   ? 19.069  17.075  13.066 1.000 14.872 0 7   ARG AAA CA  1 ? 
ATOM   55   C C   . ARG A 1 9   ? 19.145  17.220  14.589 1.000 13.425 0 7   ARG AAA C   1 ? 
ATOM   56   O O   . ARG A 1 9   ? 19.037  16.194  15.265 1.000 12.728 0 7   ARG AAA O   1 ? 
ATOM   57   C CB  . ARG A 1 9   ? 20.411  17.196  12.338 1.000 17.215 0 7   ARG AAA CB  1 ? 
ATOM   58   C CG  . ARG A 1 9   ? 21.416  16.106  12.683 1.000 20.231 0 7   ARG AAA CG  1 ? 
ATOM   59   C CD  . ARG A 1 9   ? 22.837  16.536  12.362 1.000 21.966 0 7   ARG AAA CD  1 ? 
ATOM   60   N NE  . ARG A 1 9   ? 23.321  17.559  13.287 1.000 25.151 0 7   ARG AAA NE  1 ? 
ATOM   61   C CZ  . ARG A 1 9   ? 23.709  17.362  14.557 1.000 25.899 0 7   ARG AAA CZ  1 ? 
ATOM   62   N NH1 . ARG A 1 9   ? 23.659  16.153  15.091 1.000 28.007 0 7   ARG AAA NH1 1 ? 
ATOM   63   N NH2 . ARG A 1 9   ? 24.109  18.386  15.301 1.000 25.053 0 7   ARG AAA NH2 1 ? 
ATOM   64   N N   . ARG A 1 10  ? 19.240  18.444  15.128 1.000 12.743 0 8   ARG AAA N   1 ? 
ATOM   65   C CA  . ARG A 1 10  ? 19.358  18.647  16.609 1.000 12.747 0 8   ARG AAA CA  1 ? 
ATOM   66   C C   . ARG A 1 10  ? 18.126  18.096  17.313 1.000 11.837 0 8   ARG AAA C   1 ? 
ATOM   67   O O   . ARG A 1 10  ? 18.270  17.464  18.342 1.000 12.884 0 8   ARG AAA O   1 ? 
ATOM   68   C CB  . ARG A 1 10  ? 19.538  20.111  16.993 1.000 13.663 0 8   ARG AAA CB  1 ? 
ATOM   69   C CG  . ARG A 1 10  ? 20.873  20.708  16.559 1.000 14.714 0 8   ARG AAA CG  1 ? 
ATOM   70   C CD  . ARG A 1 10  ? 22.005  20.366  17.513 1.000 15.260 0 8   ARG AAA CD  1 ? 
ATOM   71   N NE  . ARG A 1 10  ? 23.264  20.874  16.994 1.000 15.130 0 8   ARG AAA NE  1 ? 
ATOM   72   C CZ  . ARG A 1 10  ? 24.373  21.085  17.709 1.000 15.224 0 8   ARG AAA CZ  1 ? 
ATOM   73   N NH1 . ARG A 1 10  ? 24.391  20.823  19.001 1.000 14.008 0 8   ARG AAA NH1 1 ? 
ATOM   74   N NH2 . ARG A 1 10  ? 25.457  21.576  17.122 1.000 14.716 0 8   ARG AAA NH2 1 ? 
ATOM   75   N N   . VAL A 1 11  ? 16.950  18.269  16.727 1.000 11.445 0 9   VAL AAA N   1 ? 
ATOM   76   C CA  . VAL A 1 11  ? 15.686  17.739  17.300 1.000 11.389 0 9   VAL AAA CA  1 ? 
ATOM   77   C C   . VAL A 1 11  ? 15.621  16.209  17.188 1.000 11.047 0 9   VAL AAA C   1 ? 
ATOM   78   O O   . VAL A 1 11  ? 15.217  15.582  18.185 1.000 11.743 0 9   VAL AAA O   1 ? 
ATOM   79   C CB  . VAL A 1 11  ? 14.462  18.400  16.659 1.000 11.099 0 9   VAL AAA CB  1 ? 
ATOM   80   C CG1 . VAL A 1 11  ? 13.182  17.865  17.270 1.000 11.273 0 9   VAL AAA CG1 1 ? 
ATOM   81   C CG2 . VAL A 1 11  ? 14.512  19.912  16.771 1.000 11.352 0 9   VAL AAA CG2 1 ? 
ATOM   82   N N   . VAL A 1 12  ? 15.961  15.600  16.056 1.000 11.365 0 10  VAL AAA N   1 ? 
ATOM   83   C CA  . VAL A 1 12  ? 15.546  14.185  15.780 1.000 11.852 0 10  VAL AAA CA  1 ? 
ATOM   84   C C   . VAL A 1 12  ? 16.724  13.201  15.807 1.000 11.922 0 10  VAL AAA C   1 ? 
ATOM   85   O O   . VAL A 1 12  ? 16.468  12.013  15.576 1.000 12.702 0 10  VAL AAA O   1 ? 
ATOM   86   C CB  . VAL A 1 12  ? 14.765  14.072  14.452 1.000 11.735 0 10  VAL AAA CB  1 ? 
ATOM   87   C CG1 . VAL A 1 12  ? 13.521  14.926  14.452 1.000 11.977 0 10  VAL AAA CG1 1 ? 
ATOM   88   C CG2 . VAL A 1 12  ? 15.613  14.394  13.245 1.000 11.517 0 10  VAL AAA CG2 1 ? 
ATOM   89   N N   . SER A 1 13  ? 17.960  13.614  16.061 1.000 12.386 0 11  SER AAA N   1 ? 
ATOM   90   C CA  . SER A 1 13  ? 19.149  12.746  15.782 1.000 13.310 0 11  SER AAA CA  1 ? 
ATOM   91   C C   . SER A 1 13  ? 19.134  11.436  16.617 1.000 13.931 0 11  SER AAA C   1 ? 
ATOM   92   O O   . SER A 1 13  ? 19.753  10.423  16.154 1.000 14.932 0 11  SER AAA O   1 ? 
ATOM   93   C CB  . SER A 1 13  ? 20.434  13.502  15.971 1.000 12.464 0 11  SER AAA CB  1 ? 
ATOM   94   O OG  . SER A 1 13  ? 20.560  13.842  17.344 1.000 13.292 0 11  SER AAA OG  1 ? 
ATOM   95   N N   . GLU A 1 14  ? 18.495  11.421  17.788 1.000 13.109 0 12  GLU AAA N   1 ? 
ATOM   96   C CA  . GLU A 1 14  ? 18.445  10.225  18.680 1.000 14.196 0 12  GLU AAA CA  1 ? 
ATOM   97   C C   . GLU A 1 14  ? 17.050  9.566   18.649 1.000 13.079 0 12  GLU AAA C   1 ? 
ATOM   98   O O   . GLU A 1 14  ? 16.795  8.669   19.453 1.000 12.632 0 12  GLU AAA O   1 ? 
ATOM   99   C CB  . GLU A 1 14  ? 18.915  10.636  20.080 1.000 15.285 0 12  GLU AAA CB  1 ? 
ATOM   100  C CG  . GLU A 1 14  ? 20.387  11.030  20.067 1.000 17.038 0 12  GLU AAA CG  1 ? 
ATOM   101  C CD  . GLU A 1 14  ? 21.044  11.118  21.431 1.000 20.667 0 12  GLU AAA CD  1 ? 
ATOM   102  O OE1 . GLU A 1 14  ? 20.447  11.783  22.317 1.000 20.264 0 12  GLU AAA OE1 1 ? 
ATOM   103  O OE2 . GLU A 1 14  ? 22.166  10.540  21.608 1.000 22.886 0 12  GLU AAA OE2 1 ? 
ATOM   104  N N   . ILE A 1 15  ? 16.169  9.980   17.738 1.000 12.433 0 13  ILE AAA N   1 ? 
ATOM   105  C CA  . ILE A 1 15  ? 14.923  9.227   17.426 1.000 12.494 0 13  ILE AAA CA  1 ? 
ATOM   106  C C   . ILE A 1 15  ? 15.249  8.135   16.405 1.000 11.954 0 13  ILE AAA C   1 ? 
ATOM   107  O O   . ILE A 1 15  ? 15.747  8.431   15.323 1.000 12.003 0 13  ILE AAA O   1 ? 
ATOM   108  C CB  . ILE A 1 15  ? 13.811  10.158  16.923 1.000 12.248 0 13  ILE AAA CB  1 ? 
ATOM   109  C CG1 . ILE A 1 15  ? 13.483  11.243  17.950 1.000 12.747 0 13  ILE AAA CG1 1 ? 
ATOM   110  C CG2 . ILE A 1 15  ? 12.605  9.317   16.532 1.000 12.218 0 13  ILE AAA CG2 1 ? 
ATOM   111  C CD1 . ILE A 1 15  ? 12.546  12.303  17.457 1.000 13.109 0 13  ILE AAA CD1 1 ? 
ATOM   112  N N   . PRO A 1 16  ? 14.971  6.847   16.702 1.000 11.674 0 14  PRO AAA N   1 ? 
ATOM   113  C CA  . PRO A 1 16  ? 15.241  5.779   15.744 1.000 11.327 0 14  PRO AAA CA  1 ? 
ATOM   114  C C   . PRO A 1 16  ? 14.598  6.156   14.408 1.000 11.110 0 14  PRO AAA C   1 ? 
ATOM   115  O O   . PRO A 1 16  ? 13.459  6.620   14.374 1.000 11.694 0 14  PRO AAA O   1 ? 
ATOM   116  C CB  . PRO A 1 16  ? 14.622  4.531   16.397 1.000 11.384 0 14  PRO AAA CB  1 ? 
ATOM   117  C CG  . PRO A 1 16  ? 14.632  4.839   17.883 1.000 11.340 0 14  PRO AAA CG  1 ? 
ATOM   118  C CD  . PRO A 1 16  ? 14.444  6.335   17.973 1.000 11.304 0 14  PRO AAA CD  1 ? 
ATOM   119  N N   . VAL A 1 17  ? 15.332  5.941   13.322 1.000 11.139 0 15  VAL AAA N   1 ? 
ATOM   120  C CA  . VAL A 1 17  ? 14.843  6.211   11.936 1.000 10.626 0 15  VAL AAA CA  1 ? 
ATOM   121  C C   . VAL A 1 17  ? 13.966  5.030   11.477 1.000 10.677 0 15  VAL AAA C   1 ? 
ATOM   122  O O   . VAL A 1 17  ? 14.298  3.831   11.754 1.000 10.124 0 15  VAL AAA O   1 ? 
ATOM   123  C CB  . VAL A 1 17  ? 16.028  6.469   10.984 1.000 10.777 0 15  VAL AAA CB  1 ? 
ATOM   124  C CG1 . VAL A 1 17  ? 15.566  6.637   9.546  1.000 10.214 0 15  VAL AAA CG1 1 ? 
ATOM   125  C CG2 . VAL A 1 17  ? 16.879  7.676   11.423 1.000 10.634 0 15  VAL AAA CG2 1 ? 
ATOM   126  N N   . LEU A 1 18  ? 12.874  5.343   10.788 1.000 10.460 0 16  LEU AAA N   1 ? 
ATOM   127  C CA  . LEU A 1 18  ? 11.915  4.331   10.294 1.000 10.889 0 16  LEU AAA CA  1 ? 
ATOM   128  C C   . LEU A 1 18  ? 12.293  3.980   8.848  1.000 10.951 0 16  LEU AAA C   1 ? 
ATOM   129  O O   . LEU A 1 18  ? 13.083  4.723   8.263  1.000 9.605  0 16  LEU AAA O   1 ? 
ATOM   130  C CB  . LEU A 1 18  ? 10.514  4.924   10.439 1.000 11.642 0 16  LEU AAA CB  1 ? 
ATOM   131  C CG  . LEU A 1 18  ? 10.066  5.068   11.897 1.000 11.620 0 16  LEU AAA CG  1 ? 
ATOM   132  C CD1 . LEU A 1 18  ? 10.187  6.513   12.387 1.000 11.538 0 16  LEU AAA CD1 1 ? 
ATOM   133  C CD2 . LEU A 1 18  ? 8.666   4.560   12.073 1.000 11.459 0 16  LEU AAA CD2 1 ? 
ATOM   134  N N   . LYS A 1 19  ? 11.809  2.855   8.336  1.000 11.197 0 17  LYS AAA N   1 ? 
ATOM   135  C CA  . LYS A 1 19  ? 12.297  2.294   7.062  1.000 12.391 0 17  LYS AAA CA  1 ? 
ATOM   136  C C   . LYS A 1 19  ? 11.113  1.963   6.154  1.000 11.938 0 17  LYS AAA C   1 ? 
ATOM   137  O O   . LYS A 1 19  ? 11.199  2.267   4.985  1.000 11.672 0 17  LYS AAA O   1 ? 
ATOM   138  C CB  . LYS A 1 19  ? 13.116  1.016   7.265  1.000 13.473 0 17  LYS AAA CB  1 ? 
ATOM   139  C CG  . LYS A 1 19  ? 13.570  0.378   5.945  1.000 15.758 0 17  LYS AAA CG  1 ? 
ATOM   140  C CD  . LYS A 1 19  ? 14.243  -0.977  6.058  1.000 16.751 0 17  LYS AAA CD  1 ? 
ATOM   141  C CE  . LYS A 1 19  ? 13.271  -2.131  6.076  1.000 17.638 0 17  LYS AAA CE  1 ? 
ATOM   142  N NZ  . LYS A 1 19  ? 13.202  -2.815  4.763  1.000 18.167 0 17  LYS AAA NZ  1 ? 
ATOM   143  N N   . THR A 1 20  ? 10.094  1.272   6.650  1.000 12.135 0 18  THR AAA N   1 ? 
ATOM   144  C CA  . THR A 1 20  ? 9.159   0.531   5.758  1.000 12.129 0 18  THR AAA CA  1 ? 
ATOM   145  C C   . THR A 1 20  ? 8.157   1.494   5.125  1.000 11.476 0 18  THR AAA C   1 ? 
ATOM   146  O O   . THR A 1 20  ? 7.516   2.266   5.855  1.000 10.860 0 18  THR AAA O   1 ? 
ATOM   147  C CB  . THR A 1 20  ? 8.466   -0.628  6.475  1.000 12.292 0 18  THR AAA CB  1 ? 
ATOM   148  O OG1 . THR A 1 20  ? 9.515   -1.486  6.930  1.000 11.122 0 18  THR AAA OG1 1 ? 
ATOM   149  C CG2 . THR A 1 20  ? 7.496   -1.372  5.576  1.000 12.513 0 18  THR AAA CG2 1 ? 
ATOM   150  N N   . ASN A 1 21  ? 8.031   1.425   3.803  1.000 11.029 0 19  ASN AAA N   1 ? 
ATOM   151  C CA  . ASN A 1 21  ? 6.975   2.161   3.083  1.000 11.581 0 19  ASN AAA CA  1 ? 
ATOM   152  C C   . ASN A 1 21  ? 5.708   1.324   3.116  1.000 10.787 0 19  ASN AAA C   1 ? 
ATOM   153  O O   . ASN A 1 21  ? 5.501   0.472   2.188  1.000 9.924  0 19  ASN AAA O   1 ? 
ATOM   154  C CB  . ASN A 1 21  ? 7.312   2.469   1.632  1.000 12.221 0 19  ASN AAA CB  1 ? 
ATOM   155  C CG  . ASN A 1 21  ? 6.077   3.015   0.965  1.000 13.337 0 19  ASN AAA CG  1 ? 
ATOM   156  O OD1 . ASN A 1 21  ? 5.400   3.884   1.529  1.000 15.188 0 19  ASN AAA OD1 1 ? 
ATOM   157  N ND2 . ASN A 1 21  ? 5.744   2.477   -0.195 1.000 14.351 0 19  ASN AAA ND2 1 ? 
ATOM   158  N N   . ALA A 1 22  ? 4.895   1.543   4.142  1.000 10.211 0 20  ALA AAA N   1 ? 
ATOM   159  C CA  . ALA A 1 22  ? 3.622   0.816   4.327  1.000 10.401 0 20  ALA AAA CA  1 ? 
ATOM   160  C C   . ALA A 1 22  ? 2.614   1.705   5.053  1.000 10.234 0 20  ALA AAA C   1 ? 
ATOM   161  O O   . ALA A 1 22  ? 3.008   2.400   5.977  1.000 9.657  0 20  ALA AAA O   1 ? 
ATOM   162  C CB  . ALA A 1 22  ? 3.873   -0.464  5.071  1.000 10.553 0 20  ALA AAA CB  1 ? 
ATOM   163  N N   . GLY A 1 23  ? 1.364   1.673   4.600  1.000 10.740 0 21  GLY AAA N   1 ? 
ATOM   164  C CA  . GLY A 1 23  ? 0.204   2.323   5.220  1.000 11.006 0 21  GLY AAA CA  1 ? 
ATOM   165  C C   . GLY A 1 23  ? -0.800  1.288   5.716  1.000 11.574 0 21  GLY AAA C   1 ? 
ATOM   166  O O   . GLY A 1 23  ? -0.595  0.084   5.535  1.000 12.072 0 21  GLY AAA O   1 ? 
ATOM   167  N N   . PRO A 1 24  ? -1.928  1.740   6.318  1.000 11.885 0 22  PRO AAA N   1 ? 
ATOM   168  C CA  . PRO A 1 24  ? -2.916  0.855   6.941  1.000 12.408 0 22  PRO AAA CA  1 ? 
ATOM   169  C C   . PRO A 1 24  ? -3.388  -0.370  6.134  1.000 13.113 0 22  PRO AAA C   1 ? 
ATOM   170  O O   . PRO A 1 24  ? -3.614  -1.375  6.765  1.000 13.587 0 22  PRO AAA O   1 ? 
ATOM   171  C CB  . PRO A 1 24  ? -4.091  1.811   7.206  1.000 12.529 0 22  PRO AAA CB  1 ? 
ATOM   172  C CG  . PRO A 1 24  ? -3.402  3.124   7.482  1.000 12.286 0 22  PRO AAA CG  1 ? 
ATOM   173  C CD  . PRO A 1 24  ? -2.299  3.157   6.452  1.000 11.814 0 22  PRO AAA CD  1 ? 
ATOM   174  N N   . ARG A 1 25  ? -3.470  -0.304  4.802  1.000 14.706 0 23  ARG AAA N   1 ? 
ATOM   175  C CA  . ARG A 1 25  ? -3.998  -1.423  3.953  1.000 14.945 0 23  ARG AAA CA  1 ? 
ATOM   176  C C   . ARG A 1 25  ? -2.889  -2.422  3.609  1.000 16.096 0 23  ARG AAA C   1 ? 
ATOM   177  O O   . ARG A 1 25  ? -3.206  -3.385  2.929  1.000 17.179 0 23  ARG AAA O   1 ? 
ATOM   178  C CB  . ARG A 1 25  ? -4.626  -0.884  2.663  1.000 15.584 0 23  ARG AAA CB  1 ? 
ATOM   179  C CG  . ARG A 1 25  ? -5.829  0.038   2.876  1.000 16.450 0 23  ARG AAA CG  1 ? 
ATOM   180  N N   . ASP A 1 26  ? -1.639  -2.238  4.060  1.000 16.287 0 24  ASP AAA N   1 ? 
ATOM   181  C CA  . ASP A 1 26  ? -0.479  -2.981  3.493  1.000 16.716 0 24  ASP AAA CA  1 ? 
ATOM   182  C C   . ASP A 1 26  ? -0.162  -4.235  4.332  1.000 16.091 0 24  ASP AAA C   1 ? 
ATOM   183  O O   . ASP A 1 26  ? 0.962   -4.740  4.223  1.000 14.970 0 24  ASP AAA O   1 ? 
ATOM   184  C CB  . ASP A 1 26  ? 0.697   -2.024  3.245  1.000 16.844 0 24  ASP AAA CB  1 ? 
ATOM   185  C CG  . ASP A 1 26  ? 0.391   -0.933  2.217  1.000 17.711 0 24  ASP AAA CG  1 ? 
ATOM   186  O OD1 . ASP A 1 26  ? -0.516  -1.145  1.363  1.000 22.042 0 24  ASP AAA OD1 1 ? 
ATOM   187  O OD2 . ASP A 1 26  ? 1.045   0.119   2.250  1.000 15.798 0 24  ASP AAA OD2 1 ? 
ATOM   188  N N   . ARG A 1 27  ? -1.125  -4.801  5.064  1.000 17.341 0 25  ARG AAA N   1 ? 
ATOM   189  C CA  . ARG A 1 27  ? -1.028  -6.203  5.570  1.000 18.154 0 25  ARG AAA CA  1 ? 
ATOM   190  C C   . ARG A 1 27  ? 0.271   -6.386  6.379  1.000 16.443 0 25  ARG AAA C   1 ? 
ATOM   191  O O   . ARG A 1 27  ? 0.520   -5.596  7.259  1.000 15.964 0 25  ARG AAA O   1 ? 
ATOM   192  C CB  . ARG A 1 27  ? -1.115  -7.196  4.395  1.000 19.807 0 25  ARG AAA CB  1 ? 
ATOM   193  C CG  . ARG A 1 27  ? -2.395  -7.093  3.573  1.000 22.784 0 25  ARG AAA CG  1 ? 
ATOM   194  C CD  . ARG A 1 27  ? -2.700  -8.287  2.664  1.000 26.225 0 25  ARG AAA CD  1 ? 
ATOM   195  N NE  . ARG A 1 27  ? -3.398  -9.438  3.276  1.000 31.015 0 25  ARG AAA NE  1 ? 
ATOM   196  C CZ  . ARG A 1 27  ? -4.038  -10.397 2.596  1.000 30.344 0 25  ARG AAA CZ  1 ? 
ATOM   197  N N   . GLU A 1 28  ? 1.078   -7.414  6.110  1.000 17.198 0 26  GLU AAA N   1 ? 
ATOM   198  C CA  . GLU A 1 28  ? 2.283   -7.761  6.927  1.000 16.581 0 26  GLU AAA CA  1 ? 
ATOM   199  C C   . GLU A 1 28  ? 3.315   -6.627  6.886  1.000 15.809 0 26  GLU AAA C   1 ? 
ATOM   200  O O   . GLU A 1 28  ? 4.106   -6.484  7.868  1.000 16.032 0 26  GLU AAA O   1 ? 
ATOM   201  C CB  . GLU A 1 28  ? 2.885   -9.090  6.454  1.000 18.834 0 26  GLU AAA CB  1 ? 
ATOM   202  C CG  . GLU A 1 28  ? 3.527   -9.044  5.065  1.000 21.232 0 26  GLU AAA CG  1 ? 
ATOM   203  C CD  . GLU A 1 28  ? 2.582   -9.023  3.863  1.000 21.645 0 26  GLU AAA CD  1 ? 
ATOM   204  O OE1 . GLU A 1 28  ? 1.545   -9.689  3.939  1.000 21.973 0 26  GLU AAA OE1 1 ? 
ATOM   205  O OE2 . GLU A 1 28  ? 2.891   -8.334  2.853  1.000 22.068 0 26  GLU AAA OE2 1 ? 
ATOM   206  N N   . LEU A 1 29  ? 3.350   -5.853  5.796  1.000 14.266 0 27  LEU AAA N   1 ? 
ATOM   207  C CA  . LEU A 1 29  ? 4.271   -4.697  5.667  1.000 13.395 0 27  LEU AAA CA  1 ? 
ATOM   208  C C   . LEU A 1 29  ? 3.852   -3.599  6.647  1.000 11.472 0 27  LEU AAA C   1 ? 
ATOM   209  O O   . LEU A 1 29  ? 4.718   -2.909  7.147  1.000 11.460 0 27  LEU AAA O   1 ? 
ATOM   210  C CB  . LEU A 1 29  ? 4.287   -4.209  4.212  1.000 14.102 0 27  LEU AAA CB  1 ? 
ATOM   211  C CG  . LEU A 1 29  ? 5.076   -5.082  3.221  1.000 14.980 0 27  LEU AAA CG  1 ? 
ATOM   212  C CD1 . LEU A 1 29  ? 5.285   -4.371  1.888  1.000 15.427 0 27  LEU AAA CD1 1 ? 
ATOM   213  C CD2 . LEU A 1 29  ? 6.431   -5.469  3.781  1.000 15.228 0 27  LEU AAA CD2 1 ? 
ATOM   214  N N   . TRP A 1 30  ? 2.562   -3.448  6.903  1.000 10.861 0 28  TRP AAA N   1 ? 
ATOM   215  C CA  . TRP A 1 30  ? 2.008   -2.468  7.874  1.000 11.107 0 28  TRP AAA CA  1 ? 
ATOM   216  C C   . TRP A 1 30  ? 2.367   -2.900  9.302  1.000 10.945 0 28  TRP AAA C   1 ? 
ATOM   217  O O   . TRP A 1 30  ? 2.812   -2.058  10.099 1.000 11.443 0 28  TRP AAA O   1 ? 
ATOM   218  C CB  . TRP A 1 30  ? 0.500   -2.301  7.654  1.000 11.737 0 28  TRP AAA CB  1 ? 
ATOM   219  C CG  . TRP A 1 30  ? -0.163  -1.353  8.597  1.000 11.325 0 28  TRP AAA CG  1 ? 
ATOM   220  C CD1 . TRP A 1 30  ? -1.254  -1.620  9.373  1.000 11.670 0 28  TRP AAA CD1 1 ? 
ATOM   221  C CD2 . TRP A 1 30  ? 0.256   -0.015  8.925  1.000 12.124 0 28  TRP AAA CD2 1 ? 
ATOM   222  N NE1 . TRP A 1 30  ? -1.577  -0.529  10.134 1.000 11.303 0 28  TRP AAA NE1 1 ? 
ATOM   223  C CE2 . TRP A 1 30  ? -0.673  0.471   9.879  1.000 11.732 0 28  TRP AAA CE2 1 ? 
ATOM   224  C CE3 . TRP A 1 30  ? 1.293   0.836   8.500  1.000 11.938 0 28  TRP AAA CE3 1 ? 
ATOM   225  C CZ2 . TRP A 1 30  ? -0.584  1.758   10.408 1.000 12.099 0 28  TRP AAA CZ2 1 ? 
ATOM   226  C CZ3 . TRP A 1 30  ? 1.354   2.121   9.012  1.000 11.930 0 28  TRP AAA CZ3 1 ? 
ATOM   227  C CH2 . TRP A 1 30  ? 0.456   2.556   9.986  1.000 11.703 0 28  TRP AAA CH2 1 ? 
ATOM   228  N N   . VAL A 1 31  ? 2.279   -4.192  9.593  1.000 11.000 0 29  VAL AAA N   1 ? 
ATOM   229  C CA  . VAL A 1 31  ? 2.638   -4.743  10.929 1.000 11.040 0 29  VAL AAA CA  1 ? 
ATOM   230  C C   . VAL A 1 31  ? 4.104   -4.404  11.178 1.000 10.710 0 29  VAL AAA C   1 ? 
ATOM   231  O O   . VAL A 1 31  ? 4.421   -3.968  12.284 1.000 10.848 0 29  VAL AAA O   1 ? 
ATOM   232  C CB  . VAL A 1 31  ? 2.337   -6.253  11.009 1.000 11.742 0 29  VAL AAA CB  1 ? 
ATOM   233  C CG1 . VAL A 1 31  ? 2.841   -6.869  12.306 1.000 11.678 0 29  VAL AAA CG1 1 ? 
ATOM   234  C CG2 . VAL A 1 31  ? 0.844   -6.534  10.847 1.000 11.775 0 29  VAL AAA CG2 1 ? 
ATOM   235  N N   . GLN A 1 32  ? 4.949   -4.545  10.155 1.000 9.717  0 30  GLN AAA N   1 ? 
ATOM   236  C CA  . GLN A 1 32  ? 6.376   -4.154  10.223 1.000 9.480  0 30  GLN AAA CA  1 ? 
ATOM   237  C C   . GLN A 1 32  ? 6.509   -2.646  10.494 1.000 9.340  0 30  GLN AAA C   1 ? 
ATOM   238  O O   . GLN A 1 32  ? 7.266   -2.280  11.415 1.000 9.547  0 30  GLN AAA O   1 ? 
ATOM   239  C CB  . GLN A 1 32  ? 7.112   -4.606  8.954  1.000 9.205  0 30  GLN AAA CB  1 ? 
ATOM   240  C CG  . GLN A 1 32  ? 8.594   -4.235  8.912  1.000 9.315  0 30  GLN AAA CG  1 ? 
ATOM   241  C CD  . GLN A 1 32  ? 9.377   -4.644  10.147 1.000 9.198  0 30  GLN AAA CD  1 ? 
ATOM   242  O OE1 . GLN A 1 32  ? 9.119   -5.685  10.755 1.000 9.754  0 30  GLN AAA OE1 1 ? 
ATOM   243  N NE2 . GLN A 1 32  ? 10.306  -3.800  10.571 1.000 8.952  0 30  GLN AAA NE2 1 ? 
ATOM   244  N N   . ARG A 1 33  ? 5.874   -1.782  9.707  1.000 9.084  0 31  ARG AAA N   1 ? 
ATOM   245  C CA  . ARG A 1 33  ? 5.931   -0.312  9.951  1.000 8.533  0 31  ARG AAA CA  1 ? 
ATOM   246  C C   . ARG A 1 33  ? 5.445   0.007   11.374 1.000 8.686  0 31  ARG AAA C   1 ? 
ATOM   247  O O   . ARG A 1 33  ? 6.038   0.909   12.012 1.000 8.141  0 31  ARG AAA O   1 ? 
ATOM   248  C CB  . ARG A 1 33  ? 5.124   0.454   8.898  1.000 8.264  0 31  ARG AAA CB  1 ? 
ATOM   249  C CG  . ARG A 1 33  ? 5.187   1.970   9.055  1.000 8.079  0 31  ARG AAA CG  1 ? 
ATOM   250  C CD  . ARG A 1 33  ? 6.562   2.552   8.852  1.000 7.902  0 31  ARG AAA CD  1 ? 
ATOM   251  N NE  . ARG A 1 33  ? 6.547   3.964   9.162  1.000 7.980  0 31  ARG AAA NE  1 ? 
ATOM   252  C CZ  . ARG A 1 33  ? 7.347   4.905   8.629  1.000 8.376  0 31  ARG AAA CZ  1 ? 
ATOM   253  N NH1 . ARG A 1 33  ? 8.256   4.615   7.704  1.000 8.230  0 31  ARG AAA NH1 1 ? 
ATOM   254  N NH2 . ARG A 1 33  ? 7.248   6.154   9.067  1.000 8.149  0 31  ARG AAA NH2 1 ? 
ATOM   255  N N   . LEU A 1 34  ? 4.418   -0.685  11.881 1.000 8.975  0 32  LEU AAA N   1 ? 
ATOM   256  C CA  . LEU A 1 34  ? 3.955   -0.444  13.284 1.000 9.478  0 32  LEU AAA CA  1 ? 
ATOM   257  C C   . LEU A 1 34  ? 5.067   -0.772  14.284 1.000 10.153 0 32  LEU AAA C   1 ? 
ATOM   258  O O   . LEU A 1 34  ? 5.291   0.058   15.171 1.000 10.186 0 32  LEU AAA O   1 ? 
ATOM   259  C CB  . LEU A 1 34  ? 2.657   -1.206  13.573 1.000 9.483  0 32  LEU AAA CB  1 ? 
ATOM   260  C CG  . LEU A 1 34  ? 1.411   -0.549  13.003 1.000 9.564  0 32  LEU AAA CG  1 ? 
ATOM   261  C CD1 . LEU A 1 34  ? 0.174   -1.369  13.331 1.000 9.711  0 32  LEU AAA CD1 1 ? 
ATOM   262  C CD2 . LEU A 1 34  ? 1.272   0.898   13.500 1.000 10.118 0 32  LEU AAA CD2 1 ? 
ATOM   263  N N   . LYS A 1 35  ? 5.799   -1.883  14.131 1.000 10.652 0 33  LYS AAA N   1 ? 
ATOM   264  C CA  . LYS A 1 35  ? 6.941   -2.167  15.039 1.000 10.670 0 33  LYS AAA CA  1 ? 
ATOM   265  C C   . LYS A 1 35  ? 7.934   -1.000  15.003 1.000 10.374 0 33  LYS AAA C   1 ? 
ATOM   266  O O   . LYS A 1 35  ? 8.466   -0.610  16.070 1.000 10.116 0 33  LYS AAA O   1 ? 
ATOM   267  C CB  . LYS A 1 35  ? 7.688   -3.439  14.636 1.000 11.626 0 33  LYS AAA CB  1 ? 
ATOM   268  C CG  . LYS A 1 35  ? 6.879   -4.684  14.908 1.000 12.723 0 33  LYS AAA CG  1 ? 
ATOM   269  C CD  . LYS A 1 35  ? 7.477   -5.935  14.387 1.000 13.053 0 33  LYS AAA CD  1 ? 
ATOM   270  C CE  . LYS A 1 35  ? 6.408   -7.000  14.308 1.000 13.705 0 33  LYS AAA CE  1 ? 
ATOM   271  N NZ  . LYS A 1 35  ? 7.023   -8.341  14.263 1.000 15.124 0 33  LYS AAA NZ  1 ? 
ATOM   272  N N   . GLU A 1 36  ? 8.263   -0.518  13.816 1.000 9.226  0 34  GLU AAA N   1 ? 
ATOM   273  C CA  . GLU A 1 36  ? 9.195   0.618   13.690 1.000 8.983  0 34  GLU AAA CA  1 ? 
ATOM   274  C C   . GLU A 1 36  ? 8.592   1.829   14.410 1.000 8.718  0 34  GLU AAA C   1 ? 
ATOM   275  O O   . GLU A 1 36  ? 9.349   2.534   15.102 1.000 8.648  0 34  GLU AAA O   1 ? 
ATOM   276  C CB  . GLU A 1 36  ? 9.502   0.905   12.220 1.000 9.142  0 34  GLU AAA CB  1 ? 
ATOM   277  C CG  . GLU A 1 36  ? 10.186  -0.238  11.497 1.000 9.199  0 34  GLU AAA CG  1 ? 
ATOM   278  C CD  . GLU A 1 36  ? 10.215  -0.072  9.992  1.000 9.138  0 34  GLU AAA CD  1 ? 
ATOM   279  O OE1 . GLU A 1 36  ? 9.939   1.053   9.513  1.000 9.418  0 34  GLU AAA OE1 1 ? 
ATOM   280  O OE2 . GLU A 1 36  ? 10.501  -1.069  9.309  1.000 9.541  0 34  GLU AAA OE2 1 ? 
ATOM   281  N N   . GLU A 1 37  ? 7.280   2.064   14.268 1.000 8.139  0 35  GLU AAA N   1 ? 
ATOM   282  C CA  . GLU A 1 37  ? 6.589   3.235   14.859 1.000 8.075  0 35  GLU AAA CA  1 ? 
ATOM   283  C C   . GLU A 1 37  ? 6.676   3.143   16.386 1.000 8.063  0 35  GLU AAA C   1 ? 
ATOM   284  O O   . GLU A 1 37  ? 7.133   4.110   17.036 1.000 8.141  0 35  GLU AAA O   1 ? 
ATOM   285  C CB  . GLU A 1 37  ? 5.141   3.332   14.371 1.000 8.006  0 35  GLU AAA CB  1 ? 
ATOM   286  C CG  . GLU A 1 37  ? 5.000   3.651   12.896 1.000 7.968  0 35  GLU AAA CG  1 ? 
ATOM   287  C CD  . GLU A 1 37  ? 5.379   5.065   12.472 1.000 8.153  0 35  GLU AAA CD  1 ? 
ATOM   288  O OE1 . GLU A 1 37  ? 5.695   5.918   13.356 1.000 7.518  0 35  GLU AAA OE1 1 ? 
ATOM   289  O OE2 . GLU A 1 37  ? 5.330   5.323   11.243 1.000 8.148  0 35  GLU AAA OE2 1 ? 
ATOM   290  N N   . TYR A 1 38  ? 6.332   1.989   16.937 1.000 8.001  0 36  TYR AAA N   1 ? 
ATOM   291  C CA  . TYR A 1 38  ? 6.333   1.781   18.402 1.000 8.245  0 36  TYR AAA CA  1 ? 
ATOM   292  C C   . TYR A 1 38  ? 7.753   1.900   18.974 1.000 8.215  0 36  TYR AAA C   1 ? 
ATOM   293  O O   . TYR A 1 38  ? 7.913   2.548   20.006 1.000 7.849  0 36  TYR AAA O   1 ? 
ATOM   294  C CB  . TYR A 1 38  ? 5.647   0.468   18.763 1.000 8.186  0 36  TYR AAA CB  1 ? 
ATOM   295  C CG  . TYR A 1 38  ? 4.160   0.583   18.944 1.000 8.062  0 36  TYR AAA CG  1 ? 
ATOM   296  C CD1 . TYR A 1 38  ? 3.279   0.278   17.919 1.000 8.076  0 36  TYR AAA CD1 1 ? 
ATOM   297  C CD2 . TYR A 1 38  ? 3.638   0.965   20.160 1.000 8.422  0 36  TYR AAA CD2 1 ? 
ATOM   298  C CE1 . TYR A 1 38  ? 1.908   0.388   18.098 1.000 8.211  0 36  TYR AAA CE1 1 ? 
ATOM   299  C CE2 . TYR A 1 38  ? 2.271   1.075   20.356 1.000 8.394  0 36  TYR AAA CE2 1 ? 
ATOM   300  C CZ  . TYR A 1 38  ? 1.402   0.766   19.330 1.000 8.183  0 36  TYR AAA CZ  1 ? 
ATOM   301  O OH  . TYR A 1 38  ? 0.057   0.867   19.571 1.000 8.291  0 36  TYR AAA OH  1 ? 
ATOM   302  N N   A GLN A 1 39  ? 8.732   1.297   18.301 0.500 8.278  0 37  GLN AAA N   1 ? 
ATOM   303  N N   B GLN A 1 39  ? 8.769   1.286   18.360 0.500 8.490  0 37  GLN AAA N   1 ? 
ATOM   304  C CA  A GLN A 1 39  ? 10.157  1.306   18.728 0.500 8.487  0 37  GLN AAA CA  1 ? 
ATOM   305  C CA  B GLN A 1 39  ? 10.156  1.369   18.912 0.500 8.843  0 37  GLN AAA CA  1 ? 
ATOM   306  C C   A GLN A 1 39  ? 10.663  2.759   18.785 0.500 8.877  0 37  GLN AAA C   1 ? 
ATOM   307  C C   B GLN A 1 39  ? 10.653  2.823   18.840 0.500 9.072  0 37  GLN AAA C   1 ? 
ATOM   308  O O   A GLN A 1 39  ? 11.350  3.120   19.778 0.500 9.055  0 37  GLN AAA O   1 ? 
ATOM   309  O O   B GLN A 1 39  ? 11.361  3.251   19.793 0.500 9.170  0 37  GLN AAA O   1 ? 
ATOM   310  C CB  A GLN A 1 39  ? 10.974  0.388   17.810 0.500 8.176  0 37  GLN AAA CB  1 ? 
ATOM   311  C CB  B GLN A 1 39  ? 11.162  0.431   18.233 0.500 8.824  0 37  GLN AAA CB  1 ? 
ATOM   312  C CG  A GLN A 1 39  ? 10.706  -1.087  18.102 0.500 8.061  0 37  GLN AAA CG  1 ? 
ATOM   313  C CG  B GLN A 1 39  ? 11.621  -0.730  19.127 0.500 8.953  0 37  GLN AAA CG  1 ? 
ATOM   314  C CD  A GLN A 1 39  ? 11.797  -2.041  17.673 0.500 7.736  0 37  GLN AAA CD  1 ? 
ATOM   315  C CD  B GLN A 1 39  ? 12.227  -0.378  20.473 0.500 8.849  0 37  GLN AAA CD  1 ? 
ATOM   316  O OE1 A GLN A 1 39  ? 11.877  -2.446  16.514 0.500 7.528  0 37  GLN AAA OE1 1 ? 
ATOM   317  O OE1 B GLN A 1 39  ? 12.243  -1.212  21.381 0.500 8.170  0 37  GLN AAA OE1 1 ? 
ATOM   318  N NE2 A GLN A 1 39  ? 12.583  -2.477  18.644 0.500 7.486  0 37  GLN AAA NE2 1 ? 
ATOM   319  N NE2 B GLN A 1 39  ? 12.749  0.845   20.616 0.500 8.734  0 37  GLN AAA NE2 1 ? 
ATOM   320  N N   . SER A 1 40  ? 10.327  3.557   17.770 1.000 9.146  0 38  SER AAA N   1 ? 
ATOM   321  C CA  . SER A 1 40  ? 10.717  4.986   17.625 1.000 9.738  0 38  SER AAA CA  1 ? 
ATOM   322  C C   . SER A 1 40  ? 10.044  5.796   18.730 1.000 9.336  0 38  SER AAA C   1 ? 
ATOM   323  O O   . SER A 1 40  ? 10.679  6.660   19.349 1.000 8.980  0 38  SER AAA O   1 ? 
ATOM   324  C CB  . SER A 1 40  ? 10.309  5.537   16.303 1.000 10.538 0 38  SER AAA CB  1 ? 
ATOM   325  O OG  . SER A 1 40  ? 11.378  5.475   15.385 1.000 12.858 0 38  SER AAA OG  1 ? 
ATOM   326  N N   . LEU A 1 41  ? 8.762   5.552   18.927 1.000 9.514  0 39  LEU AAA N   1 ? 
ATOM   327  C CA  . LEU A 1 41  ? 7.966   6.369   19.865 1.000 9.421  0 39  LEU AAA CA  1 ? 
ATOM   328  C C   . LEU A 1 41  ? 8.533   6.171   21.264 1.000 9.807  0 39  LEU AAA C   1 ? 
ATOM   329  O O   . LEU A 1 41  ? 8.761   7.183   21.932 1.000 9.932  0 39  LEU AAA O   1 ? 
ATOM   330  C CB  . LEU A 1 41  ? 6.503   5.955   19.805 1.000 9.823  0 39  LEU AAA CB  1 ? 
ATOM   331  C CG  . LEU A 1 41  ? 5.578   6.874   19.024 1.000 10.210 0 39  LEU AAA CG  1 ? 
ATOM   332  C CD1 . LEU A 1 41  ? 4.194   6.247   18.951 1.000 10.611 0 39  LEU AAA CD1 1 ? 
ATOM   333  C CD2 . LEU A 1 41  ? 5.500   8.270   19.636 1.000 10.243 0 39  LEU AAA CD2 1 ? 
ATOM   334  N N   . ILE A 1 42  ? 8.771   4.916   21.657 1.000 9.606  0 40  ILE AAA N   1 ? 
ATOM   335  C CA  . ILE A 1 42  ? 9.130   4.548   23.050 1.000 10.085 0 40  ILE AAA CA  1 ? 
ATOM   336  C C   . ILE A 1 42  ? 10.519  5.131   23.347 1.000 10.308 0 40  ILE AAA C   1 ? 
ATOM   337  O O   . ILE A 1 42  ? 10.725  5.682   24.454 1.000 9.735  0 40  ILE AAA O   1 ? 
ATOM   338  C CB  . ILE A 1 42  ? 9.006   3.016   23.298 1.000 10.158 0 40  ILE AAA CB  1 ? 
ATOM   339  C CG1 . ILE A 1 42  ? 8.859   2.715   24.786 1.000 10.169 0 40  ILE AAA CG1 1 ? 
ATOM   340  C CG2 . ILE A 1 42  ? 10.134  2.187   22.694 1.000 10.365 0 40  ILE AAA CG2 1 ? 
ATOM   341  C CD1 . ILE A 1 42  ? 7.812   3.569   25.463 1.000 10.493 0 40  ILE AAA CD1 1 ? 
ATOM   342  N N   . ARG A 1 43  ? 11.426  5.041   22.384 1.000 10.522 0 41  ARG AAA N   1 ? 
ATOM   343  C CA  . ARG A 1 43  ? 12.759  5.637   22.521 1.000 11.248 0 41  ARG AAA CA  1 ? 
ATOM   344  C C   . ARG A 1 43  ? 12.598  7.147   22.724 1.000 11.129 0 41  ARG AAA C   1 ? 
ATOM   345  O O   . ARG A 1 43  ? 13.358  7.717   23.548 1.000 10.542 0 41  ARG AAA O   1 ? 
ATOM   346  C CB  . ARG A 1 43  ? 13.596  5.266   21.296 1.000 12.967 0 41  ARG AAA CB  1 ? 
ATOM   347  C CG  . ARG A 1 43  ? 15.037  5.731   21.364 1.000 14.260 0 41  ARG AAA CG  1 ? 
ATOM   348  C CD  . ARG A 1 43  ? 15.766  5.263   22.609 1.000 15.547 0 41  ARG AAA CD  1 ? 
ATOM   349  N NE  . ARG A 1 43  ? 16.831  6.251   22.663 1.000 18.672 0 41  ARG AAA NE  1 ? 
ATOM   350  C CZ  . ARG A 1 43  ? 17.997  6.163   21.997 1.000 20.208 0 41  ARG AAA CZ  1 ? 
ATOM   351  N NH1 . ARG A 1 43  ? 18.876  7.158   22.062 1.000 20.737 0 41  ARG AAA NH1 1 ? 
ATOM   352  N NH2 . ARG A 1 43  ? 18.301  5.056   21.333 1.000 19.298 0 41  ARG AAA NH2 1 ? 
ATOM   353  N N   . TYR A 1 44  ? 11.684  7.791   21.980 1.000 10.791 0 42  TYR AAA N   1 ? 
ATOM   354  C CA  . TYR A 1 44  ? 11.511  9.266   22.040 1.000 10.375 0 42  TYR AAA CA  1 ? 
ATOM   355  C C   . TYR A 1 44  ? 11.054  9.605   23.467 1.000 10.242 0 42  TYR AAA C   1 ? 
ATOM   356  O O   . TYR A 1 44  ? 11.606  10.529  24.066 1.000 9.259  0 42  TYR AAA O   1 ? 
ATOM   357  C CB  . TYR A 1 44  ? 10.596  9.777   20.916 1.000 10.471 0 42  TYR AAA CB  1 ? 
ATOM   358  C CG  . TYR A 1 44  ? 10.296  11.261  20.950 1.000 10.252 0 42  TYR AAA CG  1 ? 
ATOM   359  C CD1 . TYR A 1 44  ? 11.291  12.204  21.147 1.000 10.174 0 42  TYR AAA CD1 1 ? 
ATOM   360  C CD2 . TYR A 1 44  ? 8.997   11.726  20.806 1.000 10.383 0 42  TYR AAA CD2 1 ? 
ATOM   361  C CE1 . TYR A 1 44  ? 11.005  13.565  21.172 1.000 10.417 0 42  TYR AAA CE1 1 ? 
ATOM   362  C CE2 . TYR A 1 44  ? 8.698   13.079  20.802 1.000 10.243 0 42  TYR AAA CE2 1 ? 
ATOM   363  C CZ  . TYR A 1 44  ? 9.701   14.005  21.007 1.000 10.455 0 42  TYR AAA CZ  1 ? 
ATOM   364  O OH  . TYR A 1 44  ? 9.379   15.335  21.006 1.000 10.514 0 42  TYR AAA OH  1 ? 
ATOM   365  N N   . VAL A 1 45  ? 10.129  8.801   24.015 1.000 10.684 0 43  VAL AAA N   1 ? 
ATOM   366  C CA  . VAL A 1 45  ? 9.560   8.989   25.381 1.000 10.698 0 43  VAL AAA CA  1 ? 
ATOM   367  C C   . VAL A 1 45  ? 10.686  8.832   26.403 1.000 10.954 0 43  VAL AAA C   1 ? 
ATOM   368  O O   . VAL A 1 45  ? 10.826  9.729   27.277 1.000 11.552 0 43  VAL AAA O   1 ? 
ATOM   369  C CB  . VAL A 1 45  ? 8.371   8.056   25.661 1.000 10.580 0 43  VAL AAA CB  1 ? 
ATOM   370  C CG1 . VAL A 1 45  ? 8.023   8.002   27.143 1.000 10.025 0 43  VAL AAA CG1 1 ? 
ATOM   371  C CG2 . VAL A 1 45  ? 7.154   8.467   24.842 1.000 10.524 0 43  VAL AAA CG2 1 ? 
ATOM   372  N N   . GLU A 1 46  ? 11.528  7.819   26.245 1.000 11.298 0 44  GLU AAA N   1 ? 
ATOM   373  C CA  . GLU A 1 46  ? 12.649  7.568   27.191 1.000 12.411 0 44  GLU AAA CA  1 ? 
ATOM   374  C C   . GLU A 1 46  ? 13.623  8.745   27.168 1.000 11.281 0 44  GLU AAA C   1 ? 
ATOM   375  O O   . GLU A 1 46  ? 14.017  9.198   28.253 1.000 10.468 0 44  GLU AAA O   1 ? 
ATOM   376  C CB  . GLU A 1 46  ? 13.361  6.257   26.878 1.000 13.466 0 44  GLU AAA CB  1 ? 
ATOM   377  C CG  . GLU A 1 46  ? 12.459  5.078   27.181 1.000 15.661 0 44  GLU AAA CG  1 ? 
ATOM   378  C CD  . GLU A 1 46  ? 12.804  3.784   26.464 1.000 16.994 0 44  GLU AAA CD  1 ? 
ATOM   379  O OE1 . GLU A 1 46  ? 13.875  3.709   25.802 1.000 20.817 0 44  GLU AAA OE1 1 ? 
ATOM   380  O OE2 . GLU A 1 46  ? 12.009  2.870   26.584 1.000 16.769 0 44  GLU AAA OE2 1 ? 
ATOM   381  N N   . ASN A 1 47  ? 13.993  9.213   25.981 1.000 10.938 0 45  ASN AAA N   1 ? 
ATOM   382  C CA  . ASN A 1 47  ? 14.847  10.426  25.796 1.000 10.842 0 45  ASN AAA CA  1 ? 
ATOM   383  C C   . ASN A 1 47  ? 14.181  11.631  26.469 1.000 10.411 0 45  ASN AAA C   1 ? 
ATOM   384  O O   . ASN A 1 47  ? 14.887  12.427  27.113 1.000 10.208 0 45  ASN AAA O   1 ? 
ATOM   385  C CB  . ASN A 1 47  ? 15.109  10.712  24.315 1.000 10.878 0 45  ASN AAA CB  1 ? 
ATOM   386  C CG  . ASN A 1 47  ? 15.904  9.617   23.644 1.000 11.205 0 45  ASN AAA CG  1 ? 
ATOM   387  O OD1 . ASN A 1 47  ? 16.437  8.742   24.313 1.000 11.751 0 45  ASN AAA OD1 1 ? 
ATOM   388  N ND2 . ASN A 1 47  ? 15.997  9.643   22.328 1.000 11.344 0 45  ASN AAA ND2 1 ? 
ATOM   389  N N   . ASN A 1 48  ? 12.870  11.783  26.283 1.000 10.575 0 46  ASN AAA N   1 ? 
ATOM   390  C CA  . ASN A 1 48  ? 12.070  12.921  26.810 1.000 10.482 0 46  ASN AAA CA  1 ? 
ATOM   391  C C   . ASN A 1 48  ? 12.157  12.926  28.356 1.000 11.346 0 46  ASN AAA C   1 ? 
ATOM   392  O O   . ASN A 1 48  ? 12.333  14.003  28.978 1.000 10.588 0 46  ASN AAA O   1 ? 
ATOM   393  C CB  . ASN A 1 48  ? 10.628  12.827  26.298 1.000 10.496 0 46  ASN AAA CB  1 ? 
ATOM   394  C CG  . ASN A 1 48  ? 10.426  13.276  24.855 1.000 10.043 0 46  ASN AAA CG  1 ? 
ATOM   395  O OD1 . ASN A 1 48  ? 11.302  13.877  24.251 1.000 10.844 0 46  ASN AAA OD1 1 ? 
ATOM   396  N ND2 . ASN A 1 48  ? 9.238   13.116  24.318 1.000 9.313  0 46  ASN AAA ND2 1 ? 
ATOM   397  N N   . LYS A 1 49  ? 12.071  11.749  28.964 1.000 12.276 0 47  LYS AAA N   1 ? 
ATOM   398  C CA  . LYS A 1 49  ? 12.143  11.559  30.437 1.000 14.119 0 47  LYS AAA CA  1 ? 
ATOM   399  C C   . LYS A 1 49  ? 13.497  11.986  30.991 1.000 14.112 0 47  LYS AAA C   1 ? 
ATOM   400  O O   . LYS A 1 49  ? 13.497  12.698  31.993 1.000 13.651 0 47  LYS AAA O   1 ? 
ATOM   401  C CB  . LYS A 1 49  ? 11.917  10.100  30.825 1.000 15.070 0 47  LYS AAA CB  1 ? 
ATOM   402  C CG  . LYS A 1 49  ? 10.469  9.696   30.746 1.000 16.110 0 47  LYS AAA CG  1 ? 
ATOM   403  C CD  . LYS A 1 49  ? 10.200  8.245   31.064 1.000 17.738 0 47  LYS AAA CD  1 ? 
ATOM   404  C CE  . LYS A 1 49  ? 8.742   7.918   30.795 1.000 19.163 0 47  LYS AAA CE  1 ? 
ATOM   405  N NZ  . LYS A 1 49  ? 8.369   6.602   31.375 1.000 21.385 0 47  LYS AAA NZ  1 ? 
ATOM   406  N N   . ASN A 1 50  ? 14.583  11.560  30.351 1.000 14.754 0 48  ASN AAA N   1 ? 
ATOM   407  C CA  . ASN A 1 50  ? 15.967  11.865  30.770 1.000 16.026 0 48  ASN AAA CA  1 ? 
ATOM   408  C C   . ASN A 1 50  ? 16.204  13.362  30.668 1.000 15.329 0 48  ASN AAA C   1 ? 
ATOM   409  O O   . ASN A 1 50  ? 17.147  13.831  31.337 1.000 15.817 0 48  ASN AAA O   1 ? 
ATOM   410  C CB  . ASN A 1 50  ? 16.975  11.077  29.937 1.000 17.555 0 48  ASN AAA CB  1 ? 
ATOM   411  C CG  . ASN A 1 50  ? 16.941  9.627   30.340 1.000 21.128 0 48  ASN AAA CG  1 ? 
ATOM   412  O OD1 . ASN A 1 50  ? 16.543  9.313   31.462 1.000 25.840 0 48  ASN AAA OD1 1 ? 
ATOM   413  N ND2 . ASN A 1 50  ? 17.298  8.734   29.430 1.000 23.228 0 48  ASN AAA ND2 1 ? 
ATOM   414  N N   . ALA A 1 51  ? 15.397  14.048  29.853 1.000 13.829 0 49  ALA AAA N   1 ? 
ATOM   415  C CA  . ALA A 1 51  ? 15.541  15.477  29.520 1.000 13.973 0 49  ALA AAA CA  1 ? 
ATOM   416  C C   . ALA A 1 51  ? 14.518  16.320  30.298 1.000 13.671 0 49  ALA AAA C   1 ? 
ATOM   417  O O   . ALA A 1 51  ? 14.456  17.556  30.072 1.000 13.787 0 49  ALA AAA O   1 ? 
ATOM   418  C CB  . ALA A 1 51  ? 15.430  15.621  28.023 1.000 13.616 0 49  ALA AAA CB  1 ? 
ATOM   419  N N   . ASP A 1 52  ? 13.794  15.686  31.230 1.000 13.323 0 50  ASP AAA N   1 ? 
ATOM   420  C CA  . ASP A 1 52  ? 12.719  16.282  32.072 1.000 12.620 0 50  ASP AAA CA  1 ? 
ATOM   421  C C   . ASP A 1 52  ? 11.700  16.995  31.159 1.000 12.155 0 50  ASP AAA C   1 ? 
ATOM   422  O O   . ASP A 1 52  ? 11.258  18.091  31.477 1.000 10.992 0 50  ASP AAA O   1 ? 
ATOM   423  C CB  . ASP A 1 52  ? 13.326  17.180  33.155 1.000 12.971 0 50  ASP AAA CB  1 ? 
ATOM   424  C CG  . ASP A 1 52  ? 12.304  17.822  34.075 1.000 12.832 0 50  ASP AAA CG  1 ? 
ATOM   425  O OD1 . ASP A 1 52  ? 11.317  17.166  34.403 1.000 13.620 0 50  ASP AAA OD1 1 ? 
ATOM   426  O OD2 . ASP A 1 52  ? 12.469  18.985  34.400 1.000 13.174 0 50  ASP AAA OD2 1 ? 
ATOM   427  N N   . ASN A 1 53  ? 11.363  16.373  30.035 1.000 11.974 0 51  ASN AAA N   1 ? 
ATOM   428  C CA  . ASN A 1 53  ? 10.388  16.897  29.050 1.000 11.175 0 51  ASN AAA CA  1 ? 
ATOM   429  C C   . ASN A 1 53  ? 9.467   15.745  28.635 1.000 10.695 0 51  ASN AAA C   1 ? 
ATOM   430  O O   . ASN A 1 53  ? 9.245   15.544  27.445 1.000 10.961 0 51  ASN AAA O   1 ? 
ATOM   431  C CB  . ASN A 1 53  ? 11.120  17.516  27.868 1.000 11.526 0 51  ASN AAA CB  1 ? 
ATOM   432  C CG  . ASN A 1 53  ? 10.195  18.348  27.021 1.000 11.804 0 51  ASN AAA CG  1 ? 
ATOM   433  O OD1 . ASN A 1 53  ? 9.362   19.056  27.558 1.000 12.579 0 51  ASN AAA OD1 1 ? 
ATOM   434  N ND2 . ASN A 1 53  ? 10.273  18.205  25.715 1.000 11.787 0 51  ASN AAA ND2 1 ? 
ATOM   435  N N   . ASP A 1 54  ? 8.971   14.975  29.596 1.000 10.405 0 52  ASP AAA N   1 ? 
ATOM   436  C CA  . ASP A 1 54  ? 8.028   13.878  29.297 1.000 10.182 0 52  ASP AAA CA  1 ? 
ATOM   437  C C   . ASP A 1 54  ? 6.647   14.449  28.954 1.000 9.887  0 52  ASP AAA C   1 ? 
ATOM   438  O O   . ASP A 1 54  ? 5.799   14.486  29.863 1.000 10.453 0 52  ASP AAA O   1 ? 
ATOM   439  C CB  . ASP A 1 54  ? 7.954   12.932  30.469 1.000 10.486 0 52  ASP AAA CB  1 ? 
ATOM   440  C CG  . ASP A 1 54  ? 7.270   11.627  30.109 1.000 10.977 0 52  ASP AAA CG  1 ? 
ATOM   441  O OD1 . ASP A 1 54  ? 6.989   11.354  28.898 1.000 10.490 0 52  ASP AAA OD1 1 ? 
ATOM   442  O OD2 . ASP A 1 54  ? 7.064   10.890  31.033 1.000 11.652 0 52  ASP AAA OD2 1 ? 
ATOM   443  N N   . TRP A 1 55  ? 6.397   14.819  27.696 1.000 9.073  0 53  TRP AAA N   1 ? 
ATOM   444  C CA  . TRP A 1 55  ? 5.302   15.777  27.384 1.000 8.799  0 53  TRP AAA CA  1 ? 
ATOM   445  C C   . TRP A 1 55  ? 4.097   15.131  26.706 1.000 8.668  0 53  TRP AAA C   1 ? 
ATOM   446  O O   . TRP A 1 55  ? 3.162   15.865  26.369 1.000 8.189  0 53  TRP AAA O   1 ? 
ATOM   447  C CB  . TRP A 1 55  ? 5.850   16.951  26.583 1.000 8.738  0 53  TRP AAA CB  1 ? 
ATOM   448  C CG  . TRP A 1 55  ? 6.310   16.647  25.201 1.000 8.636  0 53  TRP AAA CG  1 ? 
ATOM   449  C CD1 . TRP A 1 55  ? 7.531   16.194  24.808 1.000 8.954  0 53  TRP AAA CD1 1 ? 
ATOM   450  C CD2 . TRP A 1 55  ? 5.533   16.793  24.004 1.000 8.899  0 53  TRP AAA CD2 1 ? 
ATOM   451  N NE1 . TRP A 1 55  ? 7.573   16.056  23.442 1.000 8.642  0 53  TRP AAA NE1 1 ? 
ATOM   452  C CE2 . TRP A 1 55  ? 6.365   16.413  22.925 1.000 8.495  0 53  TRP AAA CE2 1 ? 
ATOM   453  C CE3 . TRP A 1 55  ? 4.224   17.233  23.735 1.000 8.872  0 53  TRP AAA CE3 1 ? 
ATOM   454  C CZ2 . TRP A 1 55  ? 5.927   16.453  21.606 1.000 8.930  0 53  TRP AAA CZ2 1 ? 
ATOM   455  C CZ3 . TRP A 1 55  ? 3.794   17.264  22.421 1.000 8.698  0 53  TRP AAA CZ3 1 ? 
ATOM   456  C CH2 . TRP A 1 55  ? 4.639   16.896  21.373 1.000 8.745  0 53  TRP AAA CH2 1 ? 
ATOM   457  N N   . PHE A 1 56  ? 4.059   13.813  26.551 1.000 9.452  0 54  PHE AAA N   1 ? 
ATOM   458  C CA  . PHE A 1 56  ? 2.865   13.138  25.978 1.000 10.003 0 54  PHE AAA CA  1 ? 
ATOM   459  C C   . PHE A 1 56  ? 2.853   11.626  26.216 1.000 10.603 0 54  PHE AAA C   1 ? 
ATOM   460  O O   . PHE A 1 56  ? 3.898   10.971  26.474 1.000 10.059 0 54  PHE AAA O   1 ? 
ATOM   461  C CB  . PHE A 1 56  ? 2.814   13.352  24.467 1.000 10.426 0 54  PHE AAA CB  1 ? 
ATOM   462  C CG  . PHE A 1 56  ? 3.798   12.479  23.733 1.000 10.671 0 54  PHE AAA CG  1 ? 
ATOM   463  C CD1 . PHE A 1 56  ? 3.426   11.227  23.267 1.000 10.425 0 54  PHE AAA CD1 1 ? 
ATOM   464  C CD2 . PHE A 1 56  ? 5.118   12.880  23.581 1.000 10.859 0 54  PHE AAA CD2 1 ? 
ATOM   465  C CE1 . PHE A 1 56  ? 4.357   10.394  22.662 1.000 10.948 0 54  PHE AAA CE1 1 ? 
ATOM   466  C CE2 . PHE A 1 56  ? 6.048   12.045  22.974 1.000 11.341 0 54  PHE AAA CE2 1 ? 
ATOM   467  C CZ  . PHE A 1 56  ? 5.662   10.809  22.492 1.000 10.835 0 54  PHE AAA CZ  1 ? 
ATOM   468  N N   . ARG A 1 57  ? 1.650   11.086  26.079 1.000 10.852 0 55  ARG AAA N   1 ? 
ATOM   469  C CA  . ARG A 1 57  ? 1.371   9.637   26.009 1.000 11.480 0 55  ARG AAA CA  1 ? 
ATOM   470  C C   . ARG A 1 57  ? 0.516   9.379   24.768 1.000 11.281 0 55  ARG AAA C   1 ? 
ATOM   471  O O   . ARG A 1 57  ? -0.376  10.188  24.517 1.000 10.355 0 55  ARG AAA O   1 ? 
ATOM   472  C CB  . ARG A 1 57  ? 0.612   9.196   27.261 1.000 11.590 0 55  ARG AAA CB  1 ? 
ATOM   473  C CG  . ARG A 1 57  ? 1.472   9.176   28.510 1.000 12.515 0 55  ARG AAA CG  1 ? 
ATOM   474  C CD  . ARG A 1 57  ? 2.546   8.089   28.403 1.000 13.386 0 55  ARG AAA CD  1 ? 
ATOM   475  N NE  . ARG A 1 57  ? 3.365   8.083   29.615 1.000 13.133 0 55  ARG AAA NE  1 ? 
ATOM   476  C CZ  . ARG A 1 57  ? 4.449   8.831   29.796 1.000 13.920 0 55  ARG AAA CZ  1 ? 
ATOM   477  N NH1 . ARG A 1 57  ? 4.876   9.645   28.836 1.000 13.300 0 55  ARG AAA NH1 1 ? 
ATOM   478  N NH2 . ARG A 1 57  ? 5.102   8.776   30.949 1.000 13.735 0 55  ARG AAA NH2 1 ? 
ATOM   479  N N   . LEU A 1 58  ? 0.802   8.318   24.010 1.000 11.426 0 56  LEU AAA N   1 ? 
ATOM   480  C CA  . LEU A 1 58  ? -0.077  7.899   22.885 1.000 11.450 0 56  LEU AAA CA  1 ? 
ATOM   481  C C   . LEU A 1 58  ? -0.385  6.416   22.999 1.000 12.141 0 56  LEU AAA C   1 ? 
ATOM   482  O O   . LEU A 1 58  ? 0.526   5.622   23.372 1.000 12.089 0 56  LEU AAA O   1 ? 
ATOM   483  C CB  . LEU A 1 58  ? 0.571   8.207   21.531 1.000 11.217 0 56  LEU AAA CB  1 ? 
ATOM   484  C CG  . LEU A 1 58  ? 0.392   9.641   21.019 1.000 11.545 0 56  LEU AAA CG  1 ? 
ATOM   485  C CD1 . LEU A 1 58  ? 1.246   9.878   19.777 1.000 11.339 0 56  LEU AAA CD1 1 ? 
ATOM   486  C CD2 . LEU A 1 58  ? -1.066  9.948   20.733 1.000 11.505 0 56  LEU AAA CD2 1 ? 
ATOM   487  N N   . GLU A 1 59  ? -1.595  6.035   22.594 1.000 12.669 0 57  GLU AAA N   1 ? 
ATOM   488  C CA  . GLU A 1 59  ? -1.928  4.623   22.296 1.000 12.986 0 57  GLU AAA CA  1 ? 
ATOM   489  C C   . GLU A 1 59  ? -2.718  4.537   20.988 1.000 12.327 0 57  GLU AAA C   1 ? 
ATOM   490  O O   . GLU A 1 59  ? -3.110  5.593   20.451 1.000 11.596 0 57  GLU AAA O   1 ? 
ATOM   491  C CB  . GLU A 1 59  ? -2.596  4.025   23.527 1.000 15.399 0 57  GLU AAA CB  1 ? 
ATOM   492  C CG  . GLU A 1 59  ? -4.041  4.405   23.732 1.000 18.256 0 57  GLU AAA CG  1 ? 
ATOM   493  C CD  . GLU A 1 59  ? -4.635  3.766   24.993 1.000 20.684 0 57  GLU AAA CD  1 ? 
ATOM   494  O OE1 . GLU A 1 59  ? -5.137  2.624   24.919 1.000 22.527 0 57  GLU AAA OE1 1 ? 
ATOM   495  O OE2 . GLU A 1 59  ? -4.580  4.406   26.053 1.000 24.027 0 57  GLU AAA OE2 1 ? 
ATOM   496  N N   . SER A 1 60  ? -2.850  3.335   20.434 1.000 12.183 0 58  SER AAA N   1 ? 
ATOM   497  C CA  . SER A 1 60  ? -3.551  3.104   19.143 1.000 12.225 0 58  SER AAA CA  1 ? 
ATOM   498  C C   . SER A 1 60  ? -4.604  2.026   19.346 1.000 12.324 0 58  SER AAA C   1 ? 
ATOM   499  O O   . SER A 1 60  ? -4.530  1.299   20.396 1.000 11.243 0 58  SER AAA O   1 ? 
ATOM   500  C CB  . SER A 1 60  ? -2.618  2.702   18.034 1.000 11.816 0 58  SER AAA CB  1 ? 
ATOM   501  O OG  . SER A 1 60  ? -2.210  1.335   18.184 1.000 11.465 0 58  SER AAA OG  1 ? 
ATOM   502  N N   . ASN A 1 61  ? -5.506  1.932   18.368 1.000 11.798 0 59  ASN AAA N   1 ? 
ATOM   503  C CA  . ASN A 1 61  ? -6.393  0.760   18.187 1.000 11.950 0 59  ASN AAA CA  1 ? 
ATOM   504  C C   . ASN A 1 61  ? -5.528  -0.467  17.857 1.000 12.799 0 59  ASN AAA C   1 ? 
ATOM   505  O O   . ASN A 1 61  ? -4.316  -0.346  17.655 1.000 13.326 0 59  ASN AAA O   1 ? 
ATOM   506  C CB  . ASN A 1 61  ? -7.494  1.054   17.167 1.000 11.681 0 59  ASN AAA CB  1 ? 
ATOM   507  C CG  . ASN A 1 61  ? -6.985  1.479   15.803 1.000 11.759 0 59  ASN AAA CG  1 ? 
ATOM   508  O OD1 . ASN A 1 61  ? -5.768  1.502   15.540 1.000 10.725 0 59  ASN AAA OD1 1 ? 
ATOM   509  N ND2 . ASN A 1 61  ? -7.928  1.779   14.917 1.000 11.295 0 59  ASN AAA ND2 1 ? 
ATOM   510  N N   . LYS A 1 62  ? -6.133  -1.640  17.872 1.000 14.674 0 60  LYS AAA N   1 ? 
ATOM   511  C CA  . LYS A 1 62  ? -5.506  -2.922  17.487 1.000 15.556 0 60  LYS AAA CA  1 ? 
ATOM   512  C C   . LYS A 1 62  ? -4.758  -2.689  16.157 1.000 14.969 0 60  LYS AAA C   1 ? 
ATOM   513  O O   . LYS A 1 62  ? -3.551  -3.012  16.056 1.000 13.889 0 60  LYS AAA O   1 ? 
ATOM   514  C CB  . LYS A 1 62  ? -6.643  -3.952  17.422 1.000 18.363 0 60  LYS AAA CB  1 ? 
ATOM   515  C CG  . LYS A 1 62  ? -6.304  -5.409  17.712 1.000 22.163 0 60  LYS AAA CG  1 ? 
ATOM   516  C CD  . LYS A 1 62  ? -5.634  -6.087  16.533 1.000 26.751 0 60  LYS AAA CD  1 ? 
ATOM   517  C CE  . LYS A 1 62  ? -5.468  -7.587  16.694 1.000 29.170 0 60  LYS AAA CE  1 ? 
ATOM   518  N NZ  . LYS A 1 62  ? -6.748  -8.297  16.954 1.000 30.232 0 60  LYS AAA NZ  1 ? 
ATOM   519  N N   . GLU A 1 63  ? -5.416  -2.122  15.147 1.000 13.505 0 61  GLU AAA N   1 ? 
ATOM   520  C CA  . GLU A 1 63  ? -4.817  -2.083  13.786 1.000 14.774 0 61  GLU AAA CA  1 ? 
ATOM   521  C C   . GLU A 1 63  ? -3.827  -0.916  13.656 1.000 14.476 0 61  GLU AAA C   1 ? 
ATOM   522  O O   . GLU A 1 63  ? -3.167  -0.835  12.606 1.000 14.677 0 61  GLU AAA O   1 ? 
ATOM   523  C CB  . GLU A 1 63  ? -5.901  -2.026  12.707 1.000 16.277 0 61  GLU AAA CB  1 ? 
ATOM   524  C CG  . GLU A 1 63  ? -6.877  -3.209  12.759 1.000 18.128 0 61  GLU AAA CG  1 ? 
ATOM   525  C CD  . GLU A 1 63  ? -6.263  -4.602  12.678 1.000 20.598 0 61  GLU AAA CD  1 ? 
ATOM   526  O OE1 . GLU A 1 63  ? -5.208  -4.747  12.039 1.000 22.166 0 61  GLU AAA OE1 1 ? 
ATOM   527  O OE2 . GLU A 1 63  ? -6.822  -5.548  13.287 1.000 24.767 0 61  GLU AAA OE2 1 ? 
ATOM   528  N N   . GLY A 1 64  ? -3.712  -0.050  14.666 1.000 14.044 0 62  GLY AAA N   1 ? 
ATOM   529  C CA  . GLY A 1 64  ? -2.764  1.080   14.669 1.000 13.873 0 62  GLY AAA CA  1 ? 
ATOM   530  C C   . GLY A 1 64  ? -3.108  2.139   13.620 1.000 13.897 0 62  GLY AAA C   1 ? 
ATOM   531  O O   . GLY A 1 64  ? -2.165  2.818   13.146 1.000 13.304 0 62  GLY AAA O   1 ? 
ATOM   532  N N   . THR A 1 65  ? -4.396  2.302   13.291 1.000 13.137 0 63  THR AAA N   1 ? 
ATOM   533  C CA  . THR A 1 65  ? -4.925  3.259   12.285 1.000 13.183 0 63  THR AAA CA  1 ? 
ATOM   534  C C   . THR A 1 65  ? -5.523  4.477   12.983 1.000 13.693 0 63  THR AAA C   1 ? 
ATOM   535  O O   . THR A 1 65  ? -5.783  5.488   12.323 1.000 14.140 0 63  THR AAA O   1 ? 
ATOM   536  C CB  . THR A 1 65  ? -5.985  2.585   11.405 1.000 13.170 0 63  THR AAA CB  1 ? 
ATOM   537  O OG1 . THR A 1 65  ? -6.992  2.034   12.255 1.000 13.757 0 63  THR AAA OG1 1 ? 
ATOM   538  C CG2 . THR A 1 65  ? -5.409  1.479   10.547 1.000 13.430 0 63  THR AAA CG2 1 ? 
ATOM   539  N N   A ARG A 1 66  ? -5.773  4.358   14.285 0.500 13.908 0 64  ARG AAA N   1 ? 
ATOM   540  N N   B ARG A 1 66  ? -5.774  4.345   14.285 0.500 14.126 0 64  ARG AAA N   1 ? 
ATOM   541  C CA  A ARG A 1 66  ? -6.375  5.420   15.124 0.500 13.977 0 64  ARG AAA CA  1 ? 
ATOM   542  C CA  B ARG A 1 66  ? -6.364  5.390   15.153 0.500 14.320 0 64  ARG AAA CA  1 ? 
ATOM   543  C C   A ARG A 1 66  ? -5.499  5.599   16.367 0.500 13.219 0 64  ARG AAA C   1 ? 
ATOM   544  C C   B ARG A 1 66  ? -5.458  5.586   16.366 0.500 13.401 0 64  ARG AAA C   1 ? 
ATOM   545  O O   A ARG A 1 66  ? -5.282  4.611   17.068 0.500 12.817 0 64  ARG AAA O   1 ? 
ATOM   546  O O   B ARG A 1 66  ? -5.194  4.601   17.052 0.500 13.007 0 64  ARG AAA O   1 ? 
ATOM   547  C CB  A ARG A 1 66  ? -7.818  5.052   15.480 0.500 14.428 0 64  ARG AAA CB  1 ? 
ATOM   548  C CB  B ARG A 1 66  ? -7.768  4.989   15.603 0.500 15.087 0 64  ARG AAA CB  1 ? 
ATOM   549  C CG  A ARG A 1 66  ? -8.736  4.845   14.280 0.500 15.131 0 64  ARG AAA CG  1 ? 
ATOM   550  C CG  B ARG A 1 66  ? -8.823  5.166   14.524 0.500 16.116 0 64  ARG AAA CG  1 ? 
ATOM   551  C CD  A ARG A 1 66  ? -8.895  6.120   13.472 0.500 15.788 0 64  ARG AAA CD  1 ? 
ATOM   552  C CD  B ARG A 1 66  ? -8.622  6.529   13.903 0.500 16.970 0 64  ARG AAA CD  1 ? 
ATOM   553  N NE  A ARG A 1 66  ? -9.993  6.201   12.509 0.500 15.833 0 64  ARG AAA NE  1 ? 
ATOM   554  N NE  B ARG A 1 66  ? -9.729  7.004   13.094 0.500 17.983 0 64  ARG AAA NE  1 ? 
ATOM   555  C CZ  A ARG A 1 66  ? -9.899  5.899   11.216 0.500 16.686 0 64  ARG AAA CZ  1 ? 
ATOM   556  C CZ  B ARG A 1 66  ? -10.778 7.645   13.571 0.500 18.179 0 64  ARG AAA CZ  1 ? 
ATOM   557  N NH1 A ARG A 1 66  ? -10.955 6.066   10.432 0.500 18.054 0 64  ARG AAA NH1 1 ? 
ATOM   558  N NH1 B ARG A 1 66  ? -10.912 7.821   14.875 0.500 18.424 0 64  ARG AAA NH1 1 ? 
ATOM   559  N NH2 A ARG A 1 66  ? -8.776  5.404   10.712 0.500 15.835 0 64  ARG AAA NH2 1 ? 
ATOM   560  N NH2 B ARG A 1 66  ? -11.701 8.070   12.738 0.500 18.004 0 64  ARG AAA NH2 1 ? 
ATOM   561  N N   . TRP A 1 67  ? -5.013  6.820   16.601 1.000 12.777 0 65  TRP AAA N   1 ? 
ATOM   562  C CA  . TRP A 1 67  ? -4.072  7.159   17.698 1.000 12.201 0 65  TRP AAA CA  1 ? 
ATOM   563  C C   . TRP A 1 67  ? -4.727  8.207   18.590 1.000 12.104 0 65  TRP AAA C   1 ? 
ATOM   564  O O   . TRP A 1 67  ? -5.459  9.074   18.076 1.000 10.860 0 65  TRP AAA O   1 ? 
ATOM   565  C CB  . TRP A 1 67  ? -2.743  7.645   17.110 1.000 11.601 0 65  TRP AAA CB  1 ? 
ATOM   566  C CG  . TRP A 1 67  ? -2.007  6.535   16.435 1.000 11.165 0 65  TRP AAA CG  1 ? 
ATOM   567  C CD1 . TRP A 1 67  ? -2.226  5.997   15.193 1.000 11.234 0 65  TRP AAA CD1 1 ? 
ATOM   568  C CD2 . TRP A 1 67  ? -0.956  5.759   17.025 1.000 11.109 0 65  TRP AAA CD2 1 ? 
ATOM   569  N NE1 . TRP A 1 67  ? -1.370  4.938   14.972 1.000 11.251 0 65  TRP AAA NE1 1 ? 
ATOM   570  C CE2 . TRP A 1 67  ? -0.570  4.787   16.076 1.000 11.154 0 65  TRP AAA CE2 1 ? 
ATOM   571  C CE3 . TRP A 1 67  ? -0.312  5.806   18.264 1.000 11.275 0 65  TRP AAA CE3 1 ? 
ATOM   572  C CZ2 . TRP A 1 67  ? 0.443   3.873   16.339 1.000 11.608 0 65  TRP AAA CZ2 1 ? 
ATOM   573  C CZ3 . TRP A 1 67  ? 0.693   4.908   18.514 1.000 11.562 0 65  TRP AAA CZ3 1 ? 
ATOM   574  C CH2 . TRP A 1 67  ? 1.073   3.962   17.559 1.000 11.390 0 65  TRP AAA CH2 1 ? 
ATOM   575  N N   . PHE A 1 68  ? -4.472  8.132   19.885 1.000 12.063 0 66  PHE AAA N   1 ? 
ATOM   576  C CA  . PHE A 1 68  ? -5.073  9.064   20.868 1.000 13.124 0 66  PHE AAA CA  1 ? 
ATOM   577  C C   . PHE A 1 68  ? -4.250  9.035   22.149 1.000 12.604 0 66  PHE AAA C   1 ? 
ATOM   578  O O   . PHE A 1 68  ? -3.609  8.030   22.483 1.000 12.320 0 66  PHE AAA O   1 ? 
ATOM   579  C CB  . PHE A 1 68  ? -6.553  8.749   21.129 1.000 13.889 0 66  PHE AAA CB  1 ? 
ATOM   580  C CG  . PHE A 1 68  ? -6.810  7.360   21.656 1.000 14.853 0 66  PHE AAA CG  1 ? 
ATOM   581  C CD1 . PHE A 1 68  ? -6.849  7.114   23.020 1.000 15.586 0 66  PHE AAA CD1 1 ? 
ATOM   582  C CD2 . PHE A 1 68  ? -6.983  6.298   20.787 1.000 15.844 0 66  PHE AAA CD2 1 ? 
ATOM   583  C CE1 . PHE A 1 68  ? -7.049  5.829   23.499 1.000 16.912 0 66  PHE AAA CE1 1 ? 
ATOM   584  C CE2 . PHE A 1 68  ? -7.183  5.008   21.272 1.000 16.480 0 66  PHE AAA CE2 1 ? 
ATOM   585  C CZ  . PHE A 1 68  ? -7.208  4.779   22.629 1.000 16.083 0 66  PHE AAA CZ  1 ? 
ATOM   586  N N   . GLY A 1 69  ? -4.257  10.164  22.836 1.000 11.896 0 67  GLY AAA N   1 ? 
ATOM   587  C CA  . GLY A 1 69  ? -3.638  10.282  24.155 1.000 11.516 0 67  GLY AAA CA  1 ? 
ATOM   588  C C   . GLY A 1 69  ? -3.738  11.699  24.652 1.000 11.317 0 67  GLY AAA C   1 ? 
ATOM   589  O O   . GLY A 1 69  ? -4.782  12.381  24.433 1.000 10.719 0 67  GLY AAA O   1 ? 
ATOM   590  N N   . LYS A 1 70  ? -2.700  12.104  25.358 1.000 11.471 0 68  LYS AAA N   1 ? 
ATOM   591  C CA  . LYS A 1 70  ? -2.625  13.389  26.073 1.000 12.295 0 68  LYS AAA CA  1 ? 
ATOM   592  C C   . LYS A 1 70  ? -1.258  14.003  25.764 1.000 12.024 0 68  LYS AAA C   1 ? 
ATOM   593  O O   . LYS A 1 70  ? -0.306  13.255  25.538 1.000 12.346 0 68  LYS AAA O   1 ? 
ATOM   594  C CB  . LYS A 1 70  ? -2.846  13.114  27.563 1.000 12.954 0 68  LYS AAA CB  1 ? 
ATOM   595  C CG  . LYS A 1 70  ? -4.191  12.467  27.876 1.000 13.685 0 68  LYS AAA CG  1 ? 
ATOM   596  C CD  . LYS A 1 70  ? -4.389  12.109  29.340 1.000 14.763 0 68  LYS AAA CD  1 ? 
ATOM   597  C CE  . LYS A 1 70  ? -5.857  11.869  29.629 1.000 15.612 0 68  LYS AAA CE  1 ? 
ATOM   598  N NZ  . LYS A 1 70  ? -6.079  11.332  30.991 1.000 17.468 0 68  LYS AAA NZ  1 ? 
ATOM   599  N N   . CYS A 1 71  ? -1.188  15.317  25.715 1.000 11.863 0 69  CYS AAA N   1 ? 
ATOM   600  C CA  . CYS A 1 71  ? 0.082   16.067  25.798 1.000 11.967 0 69  CYS AAA CA  1 ? 
ATOM   601  C C   . CYS A 1 71  ? -0.012  17.020  26.986 1.000 12.342 0 69  CYS AAA C   1 ? 
ATOM   602  O O   . CYS A 1 71  ? -1.147  17.383  27.416 1.000 12.053 0 69  CYS AAA O   1 ? 
ATOM   603  C CB  . CYS A 1 71  ? 0.417   16.772  24.490 1.000 11.784 0 69  CYS AAA CB  1 ? 
ATOM   604  S SG  . CYS A 1 71  ? -0.680  18.159  24.139 1.000 12.122 0 69  CYS AAA SG  1 ? 
ATOM   605  N N   . TRP A 1 72  ? 1.147   17.354  27.533 1.000 12.889 0 70  TRP AAA N   1 ? 
ATOM   606  C CA  . TRP A 1 72  ? 1.292   18.299  28.663 1.000 14.879 0 70  TRP AAA CA  1 ? 
ATOM   607  C C   . TRP A 1 72  ? 2.203   19.429  28.204 1.000 14.252 0 70  TRP AAA C   1 ? 
ATOM   608  O O   . TRP A 1 72  ? 3.157   19.124  27.484 1.000 13.985 0 70  TRP AAA O   1 ? 
ATOM   609  C CB  . TRP A 1 72  ? 1.844   17.577  29.891 1.000 15.780 0 70  TRP AAA CB  1 ? 
ATOM   610  C CG  . TRP A 1 72  ? 0.882   16.529  30.333 1.000 16.946 0 70  TRP AAA CG  1 ? 
ATOM   611  C CD1 . TRP A 1 72  ? -0.207  16.744  31.123 1.000 18.111 0 70  TRP AAA CD1 1 ? 
ATOM   612  C CD2 . TRP A 1 72  ? 0.876   15.131  29.991 1.000 18.016 0 70  TRP AAA CD2 1 ? 
ATOM   613  N NE1 . TRP A 1 72  ? -0.880  15.573  31.328 1.000 18.874 0 70  TRP AAA NE1 1 ? 
ATOM   614  C CE2 . TRP A 1 72  ? -0.250  14.565  30.633 1.000 19.638 0 70  TRP AAA CE2 1 ? 
ATOM   615  C CE3 . TRP A 1 72  ? 1.707   14.293  29.235 1.000 18.190 0 70  TRP AAA CE3 1 ? 
ATOM   616  C CZ2 . TRP A 1 72  ? -0.554  13.200  30.535 1.000 19.053 0 70  TRP AAA CZ2 1 ? 
ATOM   617  C CZ3 . TRP A 1 72  ? 1.392   12.955  29.115 1.000 17.932 0 70  TRP AAA CZ3 1 ? 
ATOM   618  C CH2 . TRP A 1 72  ? 0.278   12.417  29.761 1.000 18.791 0 70  TRP AAA CH2 1 ? 
ATOM   619  N N   . TYR A 1 73  ? 1.880   20.659  28.607 1.000 13.044 0 71  TYR AAA N   1 ? 
ATOM   620  C CA  . TYR A 1 73  ? 2.670   21.867  28.293 1.000 12.133 0 71  TYR AAA CA  1 ? 
ATOM   621  C C   . TYR A 1 73  ? 2.823   22.708  29.566 1.000 12.298 0 71  TYR AAA C   1 ? 
ATOM   622  O O   . TYR A 1 73  ? 1.806   23.042  30.239 1.000 12.030 0 71  TYR AAA O   1 ? 
ATOM   623  C CB  . TYR A 1 73  ? 1.976   22.670  27.196 1.000 11.913 0 71  TYR AAA CB  1 ? 
ATOM   624  C CG  . TYR A 1 73  ? 2.825   23.824  26.775 1.000 11.589 0 71  TYR AAA CG  1 ? 
ATOM   625  C CD1 . TYR A 1 73  ? 3.818   23.621  25.846 1.000 11.251 0 71  TYR AAA CD1 1 ? 
ATOM   626  C CD2 . TYR A 1 73  ? 2.743   25.059  27.396 1.000 11.656 0 71  TYR AAA CD2 1 ? 
ATOM   627  C CE1 . TYR A 1 73  ? 4.680   24.629  25.485 1.000 11.037 0 71  TYR AAA CE1 1 ? 
ATOM   628  C CE2 . TYR A 1 73  ? 3.593   26.094  27.040 1.000 11.486 0 71  TYR AAA CE2 1 ? 
ATOM   629  C CZ  . TYR A 1 73  ? 4.561   25.874  26.070 1.000 11.571 0 71  TYR AAA CZ  1 ? 
ATOM   630  O OH  . TYR A 1 73  ? 5.413   26.869  25.693 1.000 11.420 0 71  TYR AAA OH  1 ? 
ATOM   631  N N   . ILE A 1 74  ? 4.054   23.105  29.866 1.000 11.889 0 72  ILE AAA N   1 ? 
ATOM   632  C CA  . ILE A 1 74  ? 4.398   23.792  31.138 1.000 11.576 0 72  ILE AAA CA  1 ? 
ATOM   633  C C   . ILE A 1 74  ? 4.634   25.271  30.832 1.000 11.032 0 72  ILE AAA C   1 ? 
ATOM   634  O O   . ILE A 1 74  ? 5.344   25.584  29.891 1.000 10.657 0 72  ILE AAA O   1 ? 
ATOM   635  C CB  . ILE A 1 74  ? 5.589   23.106  31.830 1.000 12.137 0 72  ILE AAA CB  1 ? 
ATOM   636  C CG1 . ILE A 1 74  ? 5.250   21.652  32.163 1.000 12.839 0 72  ILE AAA CG1 1 ? 
ATOM   637  C CG2 . ILE A 1 74  ? 6.010   23.878  33.075 1.000 12.279 0 72  ILE AAA CG2 1 ? 
ATOM   638  C CD1 . ILE A 1 74  ? 6.449   20.842  32.629 1.000 13.712 0 72  ILE AAA CD1 1 ? 
ATOM   639  N N   . HIS A 1 75  ? 3.969   26.148  31.575 1.000 11.288 0 73  HIS AAA N   1 ? 
ATOM   640  C CA  . HIS A 1 75  ? 4.073   27.618  31.412 1.000 11.207 0 73  HIS AAA CA  1 ? 
ATOM   641  C C   . HIS A 1 75  ? 3.997   28.278  32.788 1.000 10.972 0 73  HIS AAA C   1 ? 
ATOM   642  O O   . HIS A 1 75  ? 3.026   28.024  33.530 1.000 10.119 0 73  HIS AAA O   1 ? 
ATOM   643  C CB  . HIS A 1 75  ? 2.995   28.097  30.438 1.000 10.945 0 73  HIS AAA CB  1 ? 
ATOM   644  C CG  . HIS A 1 75  ? 3.189   29.515  30.058 1.000 11.258 0 73  HIS AAA CG  1 ? 
ATOM   645  N ND1 . HIS A 1 75  ? 2.483   30.522  30.662 1.000 11.398 0 73  HIS AAA ND1 1 ? 
ATOM   646  C CD2 . HIS A 1 75  ? 3.981   30.088  29.129 1.000 11.408 0 73  HIS AAA CD2 1 ? 
ATOM   647  C CE1 . HIS A 1 75  ? 2.851   31.673  30.156 1.000 11.381 0 73  HIS AAA CE1 1 ? 
ATOM   648  N NE2 . HIS A 1 75  ? 3.762   31.434  29.206 1.000 12.312 0 73  HIS AAA NE2 1 ? 
ATOM   649  N N   . ASP A 1 76  ? 5.047   29.014  33.130 1.000 11.815 0 74  ASP AAA N   1 ? 
ATOM   650  C CA  . ASP A 1 76  ? 5.234   29.665  34.458 1.000 12.551 0 74  ASP AAA CA  1 ? 
ATOM   651  C C   . ASP A 1 76  ? 5.025   28.581  35.538 1.000 12.145 0 74  ASP AAA C   1 ? 
ATOM   652  O O   . ASP A 1 76  ? 4.307   28.840  36.513 1.000 11.566 0 74  ASP AAA O   1 ? 
ATOM   653  C CB  . ASP A 1 76  ? 4.338   30.914  34.572 1.000 12.808 0 74  ASP AAA CB  1 ? 
ATOM   654  C CG  . ASP A 1 76  ? 4.596   31.985  33.521 1.000 13.983 0 74  ASP AAA CG  1 ? 
ATOM   655  O OD1 . ASP A 1 76  ? 5.752   32.061  32.991 1.000 14.872 0 74  ASP AAA OD1 1 ? 
ATOM   656  O OD2 . ASP A 1 76  ? 3.629   32.699  33.180 1.000 15.028 0 74  ASP AAA OD2 1 ? 
ATOM   657  N N   . LEU A 1 77  ? 5.617   27.405  35.297 1.000 11.915 0 75  LEU AAA N   1 ? 
ATOM   658  C CA  . LEU A 1 77  ? 5.687   26.198  36.150 1.000 12.608 0 75  LEU AAA CA  1 ? 
ATOM   659  C C   . LEU A 1 77  ? 4.326   25.505  36.294 1.000 13.178 0 75  LEU AAA C   1 ? 
ATOM   660  O O   . LEU A 1 77  ? 4.307   24.454  36.955 1.000 14.021 0 75  LEU AAA O   1 ? 
ATOM   661  C CB  . LEU A 1 77  ? 6.297   26.552  37.515 1.000 13.060 0 75  LEU AAA CB  1 ? 
ATOM   662  C CG  . LEU A 1 77  ? 7.759   27.000  37.491 1.000 12.373 0 75  LEU AAA CG  1 ? 
ATOM   663  C CD1 . LEU A 1 77  ? 8.117   27.676  38.788 1.000 12.460 0 75  LEU AAA CD1 1 ? 
ATOM   664  C CD2 . LEU A 1 77  ? 8.699   25.835  37.228 1.000 12.784 0 75  LEU AAA CD2 1 ? 
ATOM   665  N N   . LEU A 1 78  ? 3.244   26.019  35.692 1.000 13.689 0 76  LEU AAA N   1 ? 
ATOM   666  C CA  . LEU A 1 78  ? 1.927   25.334  35.649 1.000 14.359 0 76  LEU AAA CA  1 ? 
ATOM   667  C C   . LEU A 1 78  ? 1.840   24.429  34.410 1.000 14.289 0 76  LEU AAA C   1 ? 
ATOM   668  O O   . LEU A 1 78  ? 2.221   24.857  33.325 1.000 14.765 0 76  LEU AAA O   1 ? 
ATOM   669  C CB  . LEU A 1 78  ? 0.794   26.361  35.665 1.000 14.587 0 76  LEU AAA CB  1 ? 
ATOM   670  C CG  . LEU A 1 78  ? 0.683   27.181  36.941 1.000 14.616 0 76  LEU AAA CG  1 ? 
ATOM   671  C CD1 . LEU A 1 78  ? -0.495  28.139  36.853 1.000 14.670 0 76  LEU AAA CD1 1 ? 
ATOM   672  C CD2 . LEU A 1 78  ? 0.583   26.289  38.171 1.000 14.001 0 76  LEU AAA CD2 1 ? 
ATOM   673  N N   . LYS A 1 79  ? 1.381   23.198  34.613 1.000 14.222 0 77  LYS AAA N   1 ? 
ATOM   674  C CA  . LYS A 1 79  ? 1.322   22.118  33.612 1.000 14.230 0 77  LYS AAA CA  1 ? 
ATOM   675  C C   . LYS A 1 79  ? -0.116  22.016  33.108 1.000 14.012 0 77  LYS AAA C   1 ? 
ATOM   676  O O   . LYS A 1 79  ? -1.001  21.723  33.915 1.000 13.715 0 77  LYS AAA O   1 ? 
ATOM   677  C CB  . LYS A 1 79  ? 1.799   20.788  34.192 1.000 15.158 0 77  LYS AAA CB  1 ? 
ATOM   678  C CG  . LYS A 1 79  ? 1.302   19.570  33.422 1.000 16.647 0 77  LYS AAA CG  1 ? 
ATOM   679  C CD  . LYS A 1 79  ? 2.317   18.467  33.282 1.000 18.063 0 77  LYS AAA CD  1 ? 
ATOM   680  C CE  . LYS A 1 79  ? 2.935   17.998  34.580 1.000 18.892 0 77  LYS AAA CE  1 ? 
ATOM   681  N NZ  . LYS A 1 79  ? 3.991   16.981  34.314 1.000 19.208 0 77  LYS AAA NZ  1 ? 
ATOM   682  N N   . TYR A 1 80  ? -0.305  22.250  31.809 1.000 13.512 0 78  TYR AAA N   1 ? 
ATOM   683  C CA  . TYR A 1 80  ? -1.607  22.196  31.095 1.000 13.036 0 78  TYR AAA CA  1 ? 
ATOM   684  C C   . TYR A 1 80  ? -1.686  20.906  30.290 1.000 12.211 0 78  TYR AAA C   1 ? 
ATOM   685  O O   . TYR A 1 80  ? -0.704  20.593  29.561 1.000 11.922 0 78  TYR AAA O   1 ? 
ATOM   686  C CB  . TYR A 1 80  ? -1.727  23.393  30.159 1.000 13.270 0 78  TYR AAA CB  1 ? 
ATOM   687  C CG  . TYR A 1 80  ? -1.678  24.715  30.878 1.000 14.522 0 78  TYR AAA CG  1 ? 
ATOM   688  C CD1 . TYR A 1 80  ? -2.843  25.421  31.135 1.000 14.504 0 78  TYR AAA CD1 1 ? 
ATOM   689  C CD2 . TYR A 1 80  ? -0.482  25.241  31.337 1.000 14.233 0 78  TYR AAA CD2 1 ? 
ATOM   690  C CE1 . TYR A 1 80  ? -2.814  26.633  31.799 1.000 14.418 0 78  TYR AAA CE1 1 ? 
ATOM   691  C CE2 . TYR A 1 80  ? -0.435  26.446  32.020 1.000 14.754 0 78  TYR AAA CE2 1 ? 
ATOM   692  C CZ  . TYR A 1 80  ? -1.610  27.147  32.251 1.000 15.114 0 78  TYR AAA CZ  1 ? 
ATOM   693  O OH  . TYR A 1 80  ? -1.604  28.356  32.898 1.000 13.949 0 78  TYR AAA OH  1 ? 
ATOM   694  N N   A GLU A 1 81  ? -2.826  20.209  30.374 0.500 11.722 0 79  GLU AAA N   1 ? 
ATOM   695  N N   B GLU A 1 81  ? -2.787  20.167  30.439 0.500 11.764 0 79  GLU AAA N   1 ? 
ATOM   696  C CA  A GLU A 1 81  ? -3.053  18.858  29.786 0.500 11.403 0 79  GLU AAA CA  1 ? 
ATOM   697  C CA  B GLU A 1 81  ? -3.006  18.888  29.723 0.500 11.413 0 79  GLU AAA CA  1 ? 
ATOM   698  C C   A GLU A 1 81  ? -4.079  19.002  28.652 0.500 11.421 0 79  GLU AAA C   1 ? 
ATOM   699  C C   B GLU A 1 81  ? -3.999  19.140  28.592 0.500 11.421 0 79  GLU AAA C   1 ? 
ATOM   700  O O   A GLU A 1 81  ? -5.131  19.614  28.908 0.500 11.009 0 79  GLU AAA O   1 ? 
ATOM   701  O O   B GLU A 1 81  ? -4.915  19.955  28.783 0.500 10.777 0 79  GLU AAA O   1 ? 
ATOM   702  C CB  A GLU A 1 81  ? -3.477  17.894  30.909 0.500 11.723 0 79  GLU AAA CB  1 ? 
ATOM   703  C CB  B GLU A 1 81  ? -3.526  17.786  30.646 0.500 11.786 0 79  GLU AAA CB  1 ? 
ATOM   704  C CG  A GLU A 1 81  ? -4.290  16.675  30.475 0.500 11.761 0 79  GLU AAA CG  1 ? 
ATOM   705  C CG  B GLU A 1 81  ? -3.585  16.424  29.973 0.500 11.794 0 79  GLU AAA CG  1 ? 
ATOM   706  C CD  A GLU A 1 81  ? -4.614  15.630  31.552 0.500 12.108 0 79  GLU AAA CD  1 ? 
ATOM   707  C CD  B GLU A 1 81  ? -4.868  16.047  29.240 0.500 12.485 0 79  GLU AAA CD  1 ? 
ATOM   708  O OE1 A GLU A 1 81  ? -3.726  15.286  32.353 0.500 12.171 0 79  GLU AAA OE1 1 ? 
ATOM   709  O OE1 B GLU A 1 81  ? -5.765  16.900  29.062 0.500 12.076 0 79  GLU AAA OE1 1 ? 
ATOM   710  O OE2 A GLU A 1 81  ? -5.757  15.142  31.596 0.500 11.479 0 79  GLU AAA OE2 1 ? 
ATOM   711  O OE2 B GLU A 1 81  ? -4.972  14.874  28.854 0.500 13.234 0 79  GLU AAA OE2 1 ? 
ATOM   712  N N   . PHE A 1 82  ? -3.774  18.506  27.441 1.000 10.948 0 80  PHE AAA N   1 ? 
ATOM   713  C CA  . PHE A 1 82  ? -4.691  18.553  26.280 1.000 11.476 0 80  PHE AAA CA  1 ? 
ATOM   714  C C   . PHE A 1 82  ? -4.788  17.149  25.693 1.000 11.191 0 80  PHE AAA C   1 ? 
ATOM   715  O O   . PHE A 1 82  ? -3.748  16.484  25.496 1.000 10.714 0 80  PHE AAA O   1 ? 
ATOM   716  C CB  . PHE A 1 82  ? -4.233  19.569  25.240 1.000 12.118 0 80  PHE AAA CB  1 ? 
ATOM   717  C CG  . PHE A 1 82  ? -3.993  20.937  25.819 1.000 12.164 0 80  PHE AAA CG  1 ? 
ATOM   718  C CD1 . PHE A 1 82  ? -5.058  21.791  26.086 1.000 12.232 0 80  PHE AAA CD1 1 ? 
ATOM   719  C CD2 . PHE A 1 82  ? -2.710  21.348  26.139 1.000 12.266 0 80  PHE AAA CD2 1 ? 
ATOM   720  C CE1 . PHE A 1 82  ? -4.835  23.042  26.649 1.000 12.144 0 80  PHE AAA CE1 1 ? 
ATOM   721  C CE2 . PHE A 1 82  ? -2.487  22.623  26.646 1.000 12.063 0 80  PHE AAA CE2 1 ? 
ATOM   722  C CZ  . PHE A 1 82  ? -3.553  23.456  26.916 1.000 11.782 0 80  PHE AAA CZ  1 ? 
ATOM   723  N N   . ASP A 1 83  ? -6.021  16.701  25.498 1.000 11.248 0 81  ASP AAA N   1 ? 
ATOM   724  C CA  . ASP A 1 83  ? -6.361  15.435  24.807 1.000 12.053 0 81  ASP AAA CA  1 ? 
ATOM   725  C C   . ASP A 1 83  ? -6.023  15.590  23.313 1.000 11.256 0 81  ASP AAA C   1 ? 
ATOM   726  O O   . ASP A 1 83  ? -6.341  16.652  22.735 1.000 10.866 0 81  ASP AAA O   1 ? 
ATOM   727  C CB  . ASP A 1 83  ? -7.820  15.049  25.068 1.000 13.231 0 81  ASP AAA CB  1 ? 
ATOM   728  C CG  . ASP A 1 83  ? -8.058  14.402  26.429 1.000 14.896 0 81  ASP AAA CG  1 ? 
ATOM   729  O OD1 . ASP A 1 83  ? -7.175  14.425  27.307 1.000 15.683 0 81  ASP AAA OD1 1 ? 
ATOM   730  O OD2 . ASP A 1 83  ? -9.092  13.802  26.570 1.000 17.680 0 81  ASP AAA OD2 1 ? 
ATOM   731  N N   . ILE A 1 84  ? -5.361  14.583  22.724 1.000 10.392 0 82  ILE AAA N   1 ? 
ATOM   732  C CA  . ILE A 1 84  ? -4.953  14.602  21.285 1.000 10.706 0 82  ILE AAA CA  1 ? 
ATOM   733  C C   . ILE A 1 84  ? -5.411  13.324  20.597 1.000 10.172 0 82  ILE AAA C   1 ? 
ATOM   734  O O   . ILE A 1 84  ? -5.518  12.305  21.276 1.000 10.316 0 82  ILE AAA O   1 ? 
ATOM   735  C CB  . ILE A 1 84  ? -3.433  14.805  21.122 1.000 10.497 0 82  ILE AAA CB  1 ? 
ATOM   736  C CG1 . ILE A 1 84  ? -2.635  13.620  21.678 1.000 10.151 0 82  ILE AAA CG1 1 ? 
ATOM   737  C CG2 . ILE A 1 84  ? -3.048  16.130  21.758 1.000 10.431 0 82  ILE AAA CG2 1 ? 
ATOM   738  C CD1 . ILE A 1 84  ? -1.161  13.735  21.474 1.000 10.720 0 82  ILE AAA CD1 1 ? 
ATOM   739  N N   . GLU A 1 85  ? -5.604  13.389  19.279 1.000 10.959 0 83  GLU AAA N   1 ? 
ATOM   740  C CA  . GLU A 1 85  ? -5.998  12.219  18.446 1.000 11.010 0 83  GLU AAA CA  1 ? 
ATOM   741  C C   . GLU A 1 85  ? -5.603  12.477  16.993 1.000 11.135 0 83  GLU AAA C   1 ? 
ATOM   742  O O   . GLU A 1 85  ? -5.488  13.663  16.594 1.000 10.897 0 83  GLU AAA O   1 ? 
ATOM   743  C CB  . GLU A 1 85  ? -7.493  11.936  18.622 1.000 11.518 0 83  GLU AAA CB  1 ? 
ATOM   744  C CG  . GLU A 1 85  ? -8.397  13.074  18.169 1.000 12.270 0 83  GLU AAA CG  1 ? 
ATOM   745  C CD  . GLU A 1 85  ? -9.868  12.921  18.530 1.000 13.011 0 83  GLU AAA CD  1 ? 
ATOM   746  O OE1 . GLU A 1 85  ? -10.179 12.821  19.696 1.000 13.836 0 83  GLU AAA OE1 1 ? 
ATOM   747  O OE2 . GLU A 1 85  ? -10.702 12.980  17.633 1.000 15.500 0 83  GLU AAA OE2 1 ? 
ATOM   748  N N   . PHE A 1 86  ? -5.399  11.405  16.226 1.000 11.709 0 84  PHE AAA N   1 ? 
ATOM   749  C CA  . PHE A 1 86  ? -5.250  11.453  14.746 1.000 12.190 0 84  PHE AAA CA  1 ? 
ATOM   750  C C   . PHE A 1 86  ? -5.507  10.078  14.138 1.000 13.052 0 84  PHE AAA C   1 ? 
ATOM   751  O O   . PHE A 1 86  ? -5.352  9.057   14.842 1.000 12.397 0 84  PHE AAA O   1 ? 
ATOM   752  C CB  . PHE A 1 86  ? -3.862  11.961  14.340 1.000 12.106 0 84  PHE AAA CB  1 ? 
ATOM   753  C CG  . PHE A 1 86  ? -2.691  11.277  14.999 1.000 11.699 0 84  PHE AAA CG  1 ? 
ATOM   754  C CD1 . PHE A 1 86  ? -2.069  10.195  14.398 1.000 11.655 0 84  PHE AAA CD1 1 ? 
ATOM   755  C CD2 . PHE A 1 86  ? -2.206  11.711  16.230 1.000 11.985 0 84  PHE AAA CD2 1 ? 
ATOM   756  C CE1 . PHE A 1 86  ? -0.963  9.587   14.991 1.000 11.932 0 84  PHE AAA CE1 1 ? 
ATOM   757  C CE2 . PHE A 1 86  ? -1.120  11.091  16.838 1.000 11.399 0 84  PHE AAA CE2 1 ? 
ATOM   758  C CZ  . PHE A 1 86  ? -0.496  10.029  16.214 1.000 11.619 0 84  PHE AAA CZ  1 ? 
ATOM   759  N N   . ASP A 1 87  ? -5.923  10.097  12.871 1.000 15.418 0 85  ASP AAA N   1 ? 
ATOM   760  C CA  . ASP A 1 87  ? -6.070  8.943   11.945 1.000 18.806 0 85  ASP AAA CA  1 ? 
ATOM   761  C C   . ASP A 1 87  ? -4.756  8.773   11.210 1.000 16.385 0 85  ASP AAA C   1 ? 
ATOM   762  O O   . ASP A 1 87  ? -4.090  9.814   10.941 1.000 14.936 0 85  ASP AAA O   1 ? 
ATOM   763  C CB  . ASP A 1 87  ? -7.154  9.192   10.879 1.000 25.629 0 85  ASP AAA CB  1 ? 
ATOM   764  C CG  . ASP A 1 87  ? -8.525  9.463   11.483 1.000 34.284 0 85  ASP AAA CG  1 ? 
ATOM   765  O OD1 . ASP A 1 87  ? -8.660  10.476  12.194 1.000 46.654 0 85  ASP AAA OD1 1 ? 
ATOM   766  O OD2 . ASP A 1 87  ? -9.453  8.644   11.278 1.000 48.654 0 85  ASP AAA OD2 1 ? 
ATOM   767  N N   . ILE A 1 88  ? -4.389  7.533   10.900 1.000 14.949 0 86  ILE AAA N   1 ? 
ATOM   768  C CA  . ILE A 1 88  ? -3.298  7.260   9.926  1.000 14.258 0 86  ILE AAA CA  1 ? 
ATOM   769  C C   . ILE A 1 88  ? -3.885  7.303   8.517  1.000 14.332 0 86  ILE AAA C   1 ? 
ATOM   770  O O   . ILE A 1 88  ? -4.730  6.492   8.166  1.000 12.252 0 86  ILE AAA O   1 ? 
ATOM   771  C CB  . ILE A 1 88  ? -2.584  5.932   10.224 1.000 14.137 0 86  ILE AAA CB  1 ? 
ATOM   772  C CG1 . ILE A 1 88  ? -2.007  5.914   11.647 1.000 14.643 0 86  ILE AAA CG1 1 ? 
ATOM   773  C CG2 . ILE A 1 88  ? -1.538  5.656   9.163  1.000 13.748 0 86  ILE AAA CG2 1 ? 
ATOM   774  C CD1 . ILE A 1 88  ? -1.008  7.017   11.938 1.000 14.355 0 86  ILE AAA CD1 1 ? 
ATOM   775  N N   . PRO A 1 89  ? -3.432  8.242   7.656  1.000 15.306 0 87  PRO AAA N   1 ? 
ATOM   776  C CA  . PRO A 1 89  ? -3.893  8.291   6.273  1.000 15.539 0 87  PRO AAA CA  1 ? 
ATOM   777  C C   . PRO A 1 89  ? -3.499  7.040   5.478  1.000 15.000 0 87  PRO AAA C   1 ? 
ATOM   778  O O   . PRO A 1 89  ? -2.436  6.483   5.693  1.000 13.171 0 87  PRO AAA O   1 ? 
ATOM   779  C CB  . PRO A 1 89  ? -3.188  9.505   5.629  1.000 15.228 0 87  PRO AAA CB  1 ? 
ATOM   780  C CG  . PRO A 1 89  ? -2.452  10.225  6.743  1.000 15.419 0 87  PRO AAA CG  1 ? 
ATOM   781  C CD  . PRO A 1 89  ? -2.431  9.289   7.940  1.000 15.546 0 87  PRO AAA CD  1 ? 
ATOM   782  N N   . ILE A 1 90  ? -4.336  6.720   4.506  1.000 15.171 0 88  ILE AAA N   1 ? 
ATOM   783  C CA  . ILE A 1 90  ? -4.193  5.527   3.640  1.000 16.811 0 88  ILE AAA CA  1 ? 
ATOM   784  C C   . ILE A 1 90  ? -2.821  5.572   2.973  1.000 15.279 0 88  ILE AAA C   1 ? 
ATOM   785  O O   . ILE A 1 90  ? -2.248  4.512   2.840  1.000 16.036 0 88  ILE AAA O   1 ? 
ATOM   786  C CB  . ILE A 1 90  ? -5.373  5.456   2.651  1.000 18.509 0 88  ILE AAA CB  1 ? 
ATOM   787  C CG1 . ILE A 1 90  ? -6.679  5.246   3.416  1.000 20.819 0 88  ILE AAA CG1 1 ? 
ATOM   788  C CG2 . ILE A 1 90  ? -5.167  4.405   1.583  1.000 18.602 0 88  ILE AAA CG2 1 ? 
ATOM   789  C CD1 . ILE A 1 90  ? -6.746  3.962   4.230  1.000 22.921 0 88  ILE AAA CD1 1 ? 
ATOM   790  N N   . THR A 1 91  ? -2.311  6.766   2.646  1.000 15.481 0 89  THR AAA N   1 ? 
ATOM   791  C CA  . THR A 1 91  ? -1.041  7.003   1.902  1.000 14.309 0 89  THR AAA CA  1 ? 
ATOM   792  C C   . THR A 1 91  ? 0.100   7.348   2.865  1.000 13.160 0 89  THR AAA C   1 ? 
ATOM   793  O O   . THR A 1 91  ? 1.143   7.815   2.376  1.000 12.421 0 89  THR AAA O   1 ? 
ATOM   794  C CB  . THR A 1 91  ? -1.220  8.143   0.890  1.000 14.681 0 89  THR AAA CB  1 ? 
ATOM   795  O OG1 . THR A 1 91  ? -1.623  9.274   1.660  1.000 14.052 0 89  THR AAA OG1 1 ? 
ATOM   796  C CG2 . THR A 1 91  ? -2.233  7.836   -0.192 1.000 15.181 0 89  THR AAA CG2 1 ? 
ATOM   797  N N   . TYR A 1 92  ? -0.076  7.117   4.171  1.000 12.541 0 90  TYR AAA N   1 ? 
ATOM   798  C CA  . TYR A 1 92  ? 1.022   7.091   5.173  1.000 12.089 0 90  TYR AAA CA  1 ? 
ATOM   799  C C   . TYR A 1 92  ? 2.042   6.059   4.701  1.000 12.142 0 90  TYR AAA C   1 ? 
ATOM   800  O O   . TYR A 1 92  ? 1.642   5.011   4.196  1.000 12.146 0 90  TYR AAA O   1 ? 
ATOM   801  C CB  . TYR A 1 92  ? 0.465   6.791   6.574  1.000 11.960 0 90  TYR AAA CB  1 ? 
ATOM   802  C CG  . TYR A 1 92  ? 1.465   6.981   7.688  1.000 11.517 0 90  TYR AAA CG  1 ? 
ATOM   803  C CD1 . TYR A 1 92  ? 1.757   8.236   8.192  1.000 10.731 0 90  TYR AAA CD1 1 ? 
ATOM   804  C CD2 . TYR A 1 92  ? 2.169   5.909   8.199  1.000 11.460 0 90  TYR AAA CD2 1 ? 
ATOM   805  C CE1 . TYR A 1 92  ? 2.701   8.417   9.184  1.000 10.451 0 90  TYR AAA CE1 1 ? 
ATOM   806  C CE2 . TYR A 1 92  ? 3.097   6.068   9.214  1.000 11.170 0 90  TYR AAA CE2 1 ? 
ATOM   807  C CZ  . TYR A 1 92  ? 3.376   7.330   9.698  1.000 10.532 0 90  TYR AAA CZ  1 ? 
ATOM   808  O OH  . TYR A 1 92  ? 4.298   7.527   10.673 1.000 9.451  0 90  TYR AAA OH  1 ? 
ATOM   809  N N   . PRO A 1 93  ? 3.374   6.264   4.847  1.000 12.296 0 91  PRO AAA N   1 ? 
ATOM   810  C CA  . PRO A 1 93  ? 3.963   7.430   5.514  1.000 12.338 0 91  PRO AAA CA  1 ? 
ATOM   811  C C   . PRO A 1 93  ? 4.460   8.549   4.580  1.000 13.006 0 91  PRO AAA C   1 ? 
ATOM   812  O O   . PRO A 1 93  ? 5.039   9.527   5.059  1.000 11.644 0 91  PRO AAA O   1 ? 
ATOM   813  C CB  . PRO A 1 93  ? 5.156   6.773   6.185  1.000 12.574 0 91  PRO AAA CB  1 ? 
ATOM   814  C CG  . PRO A 1 93  ? 5.663   5.818   5.110  1.000 13.000 0 91  PRO AAA CG  1 ? 
ATOM   815  C CD  . PRO A 1 93  ? 4.401   5.294   4.441  1.000 12.890 0 91  PRO AAA CD  1 ? 
ATOM   816  N N   . THR A 1 94  ? 4.218   8.424   3.269  1.000 12.957 0 92  THR AAA N   1 ? 
ATOM   817  C CA  . THR A 1 94  ? 4.484   9.544   2.332  1.000 12.768 0 92  THR AAA CA  1 ? 
ATOM   818  C C   . THR A 1 94  ? 3.639   10.763  2.754  1.000 13.008 0 92  THR AAA C   1 ? 
ATOM   819  O O   . THR A 1 94  ? 4.178   11.892  2.746  1.000 13.400 0 92  THR AAA O   1 ? 
ATOM   820  C CB  . THR A 1 94  ? 4.232   9.162   0.869  1.000 12.166 0 92  THR AAA CB  1 ? 
ATOM   821  O OG1 . THR A 1 94  ? 5.043   8.010   0.652  1.000 11.834 0 92  THR AAA OG1 1 ? 
ATOM   822  C CG2 . THR A 1 94  ? 4.572   10.281  -0.094 1.000 11.626 0 92  THR AAA CG2 1 ? 
ATOM   823  N N   . THR A 1 95  ? 2.366   10.562  3.079  1.000 12.827 0 93  THR AAA N   1 ? 
ATOM   824  C CA  . THR A 1 95  ? 1.474   11.626  3.584  1.000 13.461 0 93  THR AAA CA  1 ? 
ATOM   825  C C   . THR A 1 95  ? 1.540   11.662  5.105  1.000 13.177 0 93  THR AAA C   1 ? 
ATOM   826  O O   . THR A 1 95  ? 1.563   10.569  5.691  1.000 13.096 0 93  THR AAA O   1 ? 
ATOM   827  C CB  . THR A 1 95  ? 0.013   11.384  3.215  1.000 15.128 0 93  THR AAA CB  1 ? 
ATOM   828  O OG1 . THR A 1 95  ? -0.059  11.184  1.808  1.000 18.254 0 93  THR AAA OG1 1 ? 
ATOM   829  C CG2 . THR A 1 95  ? -0.883  12.539  3.589  1.000 15.700 0 93  THR AAA CG2 1 ? 
ATOM   830  N N   . ALA A 1 96  ? 1.530   12.861  5.697  1.000 12.555 0 94  ALA AAA N   1 ? 
ATOM   831  C CA  . ALA A 1 96  ? 1.687   13.079  7.156  1.000 12.689 0 94  ALA AAA CA  1 ? 
ATOM   832  C C   . ALA A 1 96  ? 0.309   13.095  7.803  1.000 12.224 0 94  ALA AAA C   1 ? 
ATOM   833  O O   . ALA A 1 96  ? -0.621  13.652  7.230  1.000 11.614 0 94  ALA AAA O   1 ? 
ATOM   834  C CB  . ALA A 1 96  ? 2.404   14.370  7.427  1.000 13.201 0 94  ALA AAA CB  1 ? 
ATOM   835  N N   . PRO A 1 97  ? 0.135   12.499  9.004  1.000 11.865 0 95  PRO AAA N   1 ? 
ATOM   836  C CA  . PRO A 1 97  ? -1.139  12.558  9.723  1.000 11.304 0 95  PRO AAA CA  1 ? 
ATOM   837  C C   . PRO A 1 97  ? -1.446  14.001  10.138 1.000 11.533 0 95  PRO AAA C   1 ? 
ATOM   838  O O   . PRO A 1 97  ? -0.571  14.825  10.083 1.000 10.926 0 95  PRO AAA O   1 ? 
ATOM   839  C CB  . PRO A 1 97  ? -0.951  11.655  10.948 1.000 11.259 0 95  PRO AAA CB  1 ? 
ATOM   840  C CG  . PRO A 1 97  ? 0.234   10.797  10.609 1.000 11.717 0 95  PRO AAA CG  1 ? 
ATOM   841  C CD  . PRO A 1 97  ? 1.102   11.644  9.698  1.000 11.970 0 95  PRO AAA CD  1 ? 
ATOM   842  N N   . GLU A 1 98  ? -2.686  14.250  10.529 1.000 11.784 0 96  GLU AAA N   1 ? 
ATOM   843  C CA  . GLU A 1 98  ? -3.176  15.565  10.997 1.000 12.940 0 96  GLU AAA CA  1 ? 
ATOM   844  C C   . GLU A 1 98  ? -3.586  15.393  12.450 1.000 12.875 0 96  GLU AAA C   1 ? 
ATOM   845  O O   . GLU A 1 98  ? -4.618  14.750  12.720 1.000 13.711 0 96  GLU AAA O   1 ? 
ATOM   846  C CB  . GLU A 1 98  ? -4.367  16.057  10.189 1.000 14.305 0 96  GLU AAA CB  1 ? 
ATOM   847  C CG  . GLU A 1 98  ? -4.074  16.250  8.705  1.000 16.084 0 96  GLU AAA CG  1 ? 
ATOM   848  C CD  . GLU A 1 98  ? -5.348  16.233  7.871  1.000 17.510 0 96  GLU AAA CD  1 ? 
ATOM   849  O OE1 . GLU A 1 98  ? -6.206  15.324  8.063  1.000 23.067 0 96  GLU AAA OE1 1 ? 
ATOM   850  O OE2 . GLU A 1 98  ? -5.504  17.111  7.047  1.000 19.848 0 96  GLU AAA OE2 1 ? 
ATOM   851  N N   . ILE A 1 99  ? -2.778  15.928  13.343 1.000 12.441 0 97  ILE AAA N   1 ? 
ATOM   852  C CA  . ILE A 1 99  ? -3.090  15.946  14.791 1.000 12.906 0 97  ILE AAA CA  1 ? 
ATOM   853  C C   . ILE A 1 99  ? -4.311  16.822  15.023 1.000 12.453 0 97  ILE AAA C   1 ? 
ATOM   854  O O   . ILE A 1 99  ? -4.347  17.934  14.481 1.000 12.811 0 97  ILE AAA O   1 ? 
ATOM   855  C CB  . ILE A 1 99  ? -1.878  16.407  15.605 1.000 13.525 0 97  ILE AAA CB  1 ? 
ATOM   856  C CG1 . ILE A 1 99  ? -0.731  15.398  15.462 1.000 14.635 0 97  ILE AAA CG1 1 ? 
ATOM   857  C CG2 . ILE A 1 99  ? -2.282  16.602  17.057 1.000 13.559 0 97  ILE AAA CG2 1 ? 
ATOM   858  C CD1 . ILE A 1 99  ? 0.580   15.902  16.003 1.000 14.808 0 97  ILE AAA CD1 1 ? 
ATOM   859  N N   . ALA A 1 100 ? -5.249  16.337  15.831 1.000 11.981 0 98  ALA AAA N   1 ? 
ATOM   860  C CA  . ALA A 1 100 ? -6.346  17.148  16.393 1.000 12.051 0 98  ALA AAA CA  1 ? 
ATOM   861  C C   . ALA A 1 100 ? -6.110  17.354  17.898 1.000 11.758 0 98  ALA AAA C   1 ? 
ATOM   862  O O   . ALA A 1 100 ? -5.593  16.439  18.582 1.000 10.788 0 98  ALA AAA O   1 ? 
ATOM   863  C CB  . ALA A 1 100 ? -7.690  16.519  16.108 1.000 11.940 0 98  ALA AAA CB  1 ? 
ATOM   864  N N   . VAL A 1 101 ? -6.447  18.547  18.376 1.000 11.768 0 99  VAL AAA N   1 ? 
ATOM   865  C CA  . VAL A 1 101 ? -6.537  18.887  19.827 1.000 12.235 0 99  VAL AAA CA  1 ? 
ATOM   866  C C   . VAL A 1 101 ? -7.957  19.403  20.047 1.000 12.773 0 99  VAL AAA C   1 ? 
ATOM   867  O O   . VAL A 1 101 ? -8.207  20.603  20.103 1.000 12.602 0 99  VAL AAA O   1 ? 
ATOM   868  C CB  . VAL A 1 101 ? -5.442  19.887  20.243 1.000 11.989 0 99  VAL AAA CB  1 ? 
ATOM   869  C CG1 . VAL A 1 101 ? -5.343  20.010  21.750 1.000 12.411 0 99  VAL AAA CG1 1 ? 
ATOM   870  C CG2 . VAL A 1 101 ? -4.095  19.525  19.646 1.000 11.884 0 99  VAL AAA CG2 1 ? 
ATOM   871  N N   . PRO A 1 102 ? -8.961  18.504  20.070 1.000 13.507 0 100 PRO AAA N   1 ? 
ATOM   872  C CA  . PRO A 1 102 ? -10.365 18.914  19.927 1.000 14.010 0 100 PRO AAA CA  1 ? 
ATOM   873  C C   . PRO A 1 102 ? -10.830 20.026  20.867 1.000 13.773 0 100 PRO AAA C   1 ? 
ATOM   874  O O   . PRO A 1 102 ? -11.609 20.866  20.455 1.000 13.852 0 100 PRO AAA O   1 ? 
ATOM   875  C CB  . PRO A 1 102 ? -11.128 17.645  20.278 1.000 13.910 0 100 PRO AAA CB  1 ? 
ATOM   876  C CG  . PRO A 1 102 ? -10.195 16.560  19.799 1.000 14.631 0 100 PRO AAA CG  1 ? 
ATOM   877  C CD  . PRO A 1 102 ? -8.806  17.051  20.159 1.000 13.753 0 100 PRO AAA CD  1 ? 
ATOM   878  N N   . GLU A 1 103 ? -10.339 20.005  22.103 1.000 14.383 0 101 GLU AAA N   1 ? 
ATOM   879  C CA  . GLU A 1 103 ? -10.805 20.970  23.122 1.000 14.798 0 101 GLU AAA CA  1 ? 
ATOM   880  C C   . GLU A 1 103 ? -10.454 22.395  22.669 1.000 14.498 0 101 GLU AAA C   1 ? 
ATOM   881  O O   . GLU A 1 103 ? -11.155 23.322  23.096 1.000 14.200 0 101 GLU AAA O   1 ? 
ATOM   882  C CB  . GLU A 1 103 ? -10.317 20.577  24.514 1.000 15.705 0 101 GLU AAA CB  1 ? 
ATOM   883  C CG  . GLU A 1 103 ? -8.863  20.861  24.809 1.000 17.236 0 101 GLU AAA CG  1 ? 
ATOM   884  C CD  . GLU A 1 103 ? -8.352  20.108  26.043 1.000 19.486 0 101 GLU AAA CD  1 ? 
ATOM   885  O OE1 . GLU A 1 103 ? -8.230  18.820  25.999 1.000 19.015 0 101 GLU AAA OE1 1 ? 
ATOM   886  O OE2 . GLU A 1 103 ? -8.103  20.790  27.065 1.000 19.691 0 101 GLU AAA OE2 1 ? 
ATOM   887  N N   . LEU A 1 104 ? -9.441  22.592  21.822 1.000 14.123 0 102 LEU AAA N   1 ? 
ATOM   888  C CA  . LEU A 1 104 ? -9.056  23.969  21.416 1.000 14.010 0 102 LEU AAA CA  1 ? 
ATOM   889  C C   . LEU A 1 104 ? -9.780  24.367  20.138 1.000 14.374 0 102 LEU AAA C   1 ? 
ATOM   890  O O   . LEU A 1 104 ? -9.426  25.426  19.612 1.000 14.773 0 102 LEU AAA O   1 ? 
ATOM   891  C CB  . LEU A 1 104 ? -7.539  24.088  21.258 1.000 13.783 0 102 LEU AAA CB  1 ? 
ATOM   892  C CG  . LEU A 1 104 ? -6.726  23.835  22.532 1.000 13.710 0 102 LEU AAA CG  1 ? 
ATOM   893  C CD1 . LEU A 1 104 ? -5.234  23.898  22.238 1.000 13.107 0 102 LEU AAA CD1 1 ? 
ATOM   894  C CD2 . LEU A 1 104 ? -7.104  24.802  23.652 1.000 13.589 0 102 LEU AAA CD2 1 ? 
ATOM   895  N N   . ASP A 1 105 ? -10.735 23.565  19.646 1.000 15.025 0 103 ASP AAA N   1 ? 
ATOM   896  C CA  . ASP A 1 105 ? -11.539 23.925  18.443 1.000 15.499 0 103 ASP AAA CA  1 ? 
ATOM   897  C C   . ASP A 1 105 ? -12.231 25.266  18.724 1.000 15.619 0 103 ASP AAA C   1 ? 
ATOM   898  O O   . ASP A 1 105 ? -12.773 25.457  19.826 1.000 16.057 0 103 ASP AAA O   1 ? 
ATOM   899  C CB  . ASP A 1 105 ? -12.497 22.795  18.060 1.000 15.933 0 103 ASP AAA CB  1 ? 
ATOM   900  C CG  . ASP A 1 105 ? -13.386 23.063  16.854 1.000 16.180 0 103 ASP AAA CG  1 ? 
ATOM   901  O OD1 . ASP A 1 105 ? -12.972 23.822  15.992 1.000 16.094 0 103 ASP AAA OD1 1 ? 
ATOM   902  O OD2 . ASP A 1 105 ? -14.539 22.516  16.821 1.000 17.923 0 103 ASP AAA OD2 1 ? 
ATOM   903  N N   . GLY A 1 106 ? -12.122 26.199  17.788 1.000 16.921 0 104 GLY AAA N   1 ? 
ATOM   904  C CA  . GLY A 1 106 ? -12.716 27.547  17.875 1.000 17.661 0 104 GLY AAA CA  1 ? 
ATOM   905  C C   . GLY A 1 106 ? -11.935 28.526  18.753 1.000 18.468 0 104 GLY AAA C   1 ? 
ATOM   906  O O   . GLY A 1 106 ? -12.416 29.671  18.863 1.000 18.713 0 104 GLY AAA O   1 ? 
ATOM   907  N N   . LYS A 1 107 ? -10.806 28.144  19.373 1.000 18.352 0 105 LYS AAA N   1 ? 
ATOM   908  C CA  . LYS A 1 107 ? -10.108 29.027  20.352 1.000 19.466 0 105 LYS AAA CA  1 ? 
ATOM   909  C C   . LYS A 1 107 ? -8.840  29.674  19.772 1.000 18.709 0 105 LYS AAA C   1 ? 
ATOM   910  O O   . LYS A 1 107 ? -8.279  30.540  20.451 1.000 19.506 0 105 LYS AAA O   1 ? 
ATOM   911  C CB  . LYS A 1 107 ? -9.836  28.266  21.645 1.000 21.552 0 105 LYS AAA CB  1 ? 
ATOM   912  C CG  . LYS A 1 107 ? -11.078 27.619  22.217 1.000 24.607 0 105 LYS AAA CG  1 ? 
ATOM   913  C CD  . LYS A 1 107 ? -11.025 27.322  23.696 1.000 26.860 0 105 LYS AAA CD  1 ? 
ATOM   914  C CE  . LYS A 1 107 ? -11.800 26.063  24.038 1.000 29.059 0 105 LYS AAA CE  1 ? 
ATOM   915  N NZ  . LYS A 1 107 ? -12.824 26.286  25.083 1.000 31.757 0 105 LYS AAA NZ  1 ? 
ATOM   916  N N   . THR A 1 108 ? -8.422  29.319  18.560 1.000 17.634 0 106 THR AAA N   1 ? 
ATOM   917  C CA  . THR A 1 108 ? -7.236  29.904  17.881 1.000 16.531 0 106 THR AAA CA  1 ? 
ATOM   918  C C   . THR A 1 108 ? -7.416  29.813  16.371 1.000 15.644 0 106 THR AAA C   1 ? 
ATOM   919  O O   . THR A 1 108 ? -7.928  28.787  15.892 1.000 14.929 0 106 THR AAA O   1 ? 
ATOM   920  C CB  . THR A 1 108 ? -5.923  29.231  18.316 1.000 17.117 0 106 THR AAA CB  1 ? 
ATOM   921  O OG1 . THR A 1 108 ? -4.817  29.768  17.587 1.000 16.849 0 106 THR AAA OG1 1 ? 
ATOM   922  C CG2 . THR A 1 108 ? -5.921  27.732  18.101 1.000 16.894 0 106 THR AAA CG2 1 ? 
ATOM   923  N N   . ALA A 1 109 ? -6.907  30.829  15.677 1.000 16.720 0 107 ALA AAA N   1 ? 
ATOM   924  C CA  . ALA A 1 109 ? -6.794  30.937  14.212 1.000 18.125 0 107 ALA AAA CA  1 ? 
ATOM   925  C C   . ALA A 1 109 ? -5.894  29.815  13.678 1.000 19.118 0 107 ALA AAA C   1 ? 
ATOM   926  O O   . ALA A 1 109 ? -6.077  29.470  12.491 1.000 19.577 0 107 ALA AAA O   1 ? 
ATOM   927  C CB  . ALA A 1 109 ? -6.263  32.307  13.823 1.000 18.030 0 107 ALA AAA CB  1 ? 
ATOM   928  N N   . LYS A 1 110 ? -4.993  29.267  14.511 1.000 18.372 0 108 LYS AAA N   1 ? 
ATOM   929  C CA  . LYS A 1 110 ? -3.963  28.272  14.085 1.000 19.481 0 108 LYS AAA CA  1 ? 
ATOM   930  C C   . LYS A 1 110 ? -4.525  26.858  14.178 1.000 17.792 0 108 LYS AAA C   1 ? 
ATOM   931  O O   . LYS A 1 110 ? -3.767  25.946  14.469 1.000 14.918 0 108 LYS AAA O   1 ? 
ATOM   932  C CB  . LYS A 1 110 ? -2.663  28.425  14.884 1.000 20.404 0 108 LYS AAA CB  1 ? 
ATOM   933  C CG  . LYS A 1 110 ? -1.897  29.703  14.557 1.000 23.519 0 108 LYS AAA CG  1 ? 
ATOM   934  C CD  . LYS A 1 110 ? -1.783  29.961  13.061 1.000 24.570 0 108 LYS AAA CD  1 ? 
ATOM   935  C CE  . LYS A 1 110 ? -1.888  31.417  12.666 1.000 26.356 0 108 LYS AAA CE  1 ? 
ATOM   936  N NZ  . LYS A 1 110 ? -0.598  32.107  12.892 1.000 27.496 0 108 LYS AAA NZ  1 ? 
ATOM   937  N N   . MET A 1 111 ? -5.777  26.693  13.781 1.000 19.195 0 109 MET AAA N   1 ? 
ATOM   938  C CA  . MET A 1 111 ? -6.518  25.413  13.844 1.000 20.828 0 109 MET AAA CA  1 ? 
ATOM   939  C C   . MET A 1 111 ? -7.605  25.465  12.774 1.000 21.348 0 109 MET AAA C   1 ? 
ATOM   940  O O   . MET A 1 111 ? -8.175  26.563  12.566 1.000 21.683 0 109 MET AAA O   1 ? 
ATOM   941  C CB  . MET A 1 111 ? -7.121  25.228  15.246 1.000 22.496 0 109 MET AAA CB  1 ? 
ATOM   942  C CG  . MET A 1 111 ? -7.806  23.886  15.471 1.000 23.295 0 109 MET AAA CG  1 ? 
ATOM   943  S SD  . MET A 1 111 ? -8.117  23.561  17.216 1.000 25.598 0 109 MET AAA SD  1 ? 
ATOM   944  C CE  . MET A 1 111 ? -6.590  22.734  17.656 1.000 24.782 0 109 MET AAA CE  1 ? 
ATOM   945  N N   . TYR A 1 112 ? -7.821  24.357  12.071 1.000 21.792 0 110 TYR AAA N   1 ? 
ATOM   946  C CA  . TYR A 1 112 ? -8.947  24.157  11.125 1.000 23.554 0 110 TYR AAA CA  1 ? 
ATOM   947  C C   . TYR A 1 112 ? -10.195 23.879  11.977 1.000 26.238 0 110 TYR AAA C   1 ? 
ATOM   948  O O   . TYR A 1 112 ? -10.058 23.327  13.102 1.000 26.836 0 110 TYR AAA O   1 ? 
ATOM   949  C CB  . TYR A 1 112 ? -8.616  23.045  10.123 1.000 24.061 0 110 TYR AAA CB  1 ? 
ATOM   950  C CG  . TYR A 1 112 ? -7.302  23.200  9.403  1.000 25.406 0 110 TYR AAA CG  1 ? 
ATOM   951  C CD1 . TYR A 1 112 ? -7.103  24.210  8.471  1.000 27.119 0 110 TYR AAA CD1 1 ? 
ATOM   952  C CD2 . TYR A 1 112 ? -6.243  22.340  9.654  1.000 26.854 0 110 TYR AAA CD2 1 ? 
ATOM   953  C CE1 . TYR A 1 112 ? -5.893  24.354  7.805  1.000 26.530 0 110 TYR AAA CE1 1 ? 
ATOM   954  C CE2 . TYR A 1 112 ? -5.026  22.478  8.999  1.000 27.898 0 110 TYR AAA CE2 1 ? 
ATOM   955  C CZ  . TYR A 1 112 ? -4.849  23.498  8.077  1.000 26.304 0 110 TYR AAA CZ  1 ? 
ATOM   956  O OH  . TYR A 1 112 ? -3.659  23.667  7.429  1.000 28.922 0 110 TYR AAA OH  1 ? 
ATOM   957  N N   . ARG A 1 113 ? -11.377 24.274  11.495 1.000 27.955 0 111 ARG AAA N   1 ? 
ATOM   958  C CA  . ARG A 1 113 ? -12.690 23.922  12.114 1.000 29.384 0 111 ARG AAA CA  1 ? 
ATOM   959  C C   . ARG A 1 113 ? -12.715 22.401  12.308 1.000 27.214 0 111 ARG AAA C   1 ? 
ATOM   960  O O   . ARG A 1 113 ? -12.238 21.687  11.395 1.000 27.668 0 111 ARG AAA O   1 ? 
ATOM   961  C CB  . ARG A 1 113 ? -13.847 24.419  11.239 1.000 32.930 0 111 ARG AAA CB  1 ? 
ATOM   962  C CG  . ARG A 1 113 ? -15.229 24.032  11.752 1.000 38.921 0 111 ARG AAA CG  1 ? 
ATOM   963  N N   . GLY A 1 114 ? -13.138 21.915  13.473 1.000 23.857 0 112 GLY AAA N   1 ? 
ATOM   964  C CA  . GLY A 1 114 ? -13.081 20.475  13.792 1.000 23.473 0 112 GLY AAA CA  1 ? 
ATOM   965  C C   . GLY A 1 114 ? -11.887 20.067  14.665 1.000 25.232 0 112 GLY AAA C   1 ? 
ATOM   966  O O   . GLY A 1 114 ? -11.943 18.936  15.203 1.000 28.573 0 112 GLY AAA O   1 ? 
ATOM   967  N N   . GLY A 1 115 ? -10.836 20.897  14.827 1.000 21.370 0 113 GLY AAA N   1 ? 
ATOM   968  C CA  . GLY A 1 115 ? -9.794  20.657  15.844 1.000 18.952 0 113 GLY AAA CA  1 ? 
ATOM   969  C C   . GLY A 1 115 ? -8.450  20.196  15.299 1.000 18.149 0 113 GLY AAA C   1 ? 
ATOM   970  O O   . GLY A 1 115 ? -7.532  20.000  16.127 1.000 16.433 0 113 GLY AAA O   1 ? 
ATOM   971  N N   . LYS A 1 116 ? -8.287  20.039  13.983 1.000 16.698 0 114 LYS AAA N   1 ? 
ATOM   972  C CA  . LYS A 1 116 ? -6.968  19.702  13.389 1.000 16.202 0 114 LYS AAA CA  1 ? 
ATOM   973  C C   . LYS A 1 116 ? -6.036  20.913  13.516 1.000 15.716 0 114 LYS AAA C   1 ? 
ATOM   974  O O   . LYS A 1 116 ? -6.433  22.000  13.072 1.000 13.359 0 114 LYS AAA O   1 ? 
ATOM   975  C CB  . LYS A 1 116 ? -7.127  19.233  11.944 1.000 17.499 0 114 LYS AAA CB  1 ? 
ATOM   976  C CG  . LYS A 1 116 ? -7.454  17.752  11.858 1.000 18.094 0 114 LYS AAA CG  1 ? 
ATOM   977  C CD  . LYS A 1 116 ? -7.936  17.285  10.518 1.000 18.878 0 114 LYS AAA CD  1 ? 
ATOM   978  C CE  . LYS A 1 116 ? -8.611  15.940  10.625 1.000 18.748 0 114 LYS AAA CE  1 ? 
ATOM   979  N NZ  . LYS A 1 116 ? -8.539  15.230  9.335  1.000 21.111 0 114 LYS AAA NZ  1 ? 
ATOM   980  N N   . ILE A 1 117 ? -4.854  20.738  14.126 1.000 14.270 0 115 ILE AAA N   1 ? 
ATOM   981  C CA  . ILE A 1 117 ? -3.899  21.863  14.330 1.000 14.208 0 115 ILE AAA CA  1 ? 
ATOM   982  C C   . ILE A 1 117 ? -3.440  22.336  12.953 1.000 13.691 0 115 ILE AAA C   1 ? 
ATOM   983  O O   . ILE A 1 117 ? -3.409  21.527  12.012 1.000 12.080 0 115 ILE AAA O   1 ? 
ATOM   984  C CB  . ILE A 1 117 ? -2.686  21.524  15.221 1.000 14.281 0 115 ILE AAA CB  1 ? 
ATOM   985  C CG1 . ILE A 1 117 ? -1.753  20.493  14.573 1.000 14.060 0 115 ILE AAA CG1 1 ? 
ATOM   986  C CG2 . ILE A 1 117 ? -3.149  21.120  16.611 1.000 14.488 0 115 ILE AAA CG2 1 ? 
ATOM   987  C CD1 . ILE A 1 117 ? -0.527  20.141  15.426 1.000 13.950 0 115 ILE AAA CD1 1 ? 
ATOM   988  N N   . CYS A 1 118 ? -3.088  23.609  12.868 1.000 14.275 0 116 CYS AAA N   1 ? 
ATOM   989  C CA  . CYS A 1 118 ? -2.604  24.230  11.619 1.000 15.539 0 116 CYS AAA CA  1 ? 
ATOM   990  C C   . CYS A 1 118 ? -1.119  24.551  11.762 1.000 15.990 0 116 CYS AAA C   1 ? 
ATOM   991  O O   . CYS A 1 118 ? -0.769  25.508  12.519 1.000 15.316 0 116 CYS AAA O   1 ? 
ATOM   992  C CB  . CYS A 1 118 ? -3.395  25.476  11.289 1.000 16.588 0 116 CYS AAA CB  1 ? 
ATOM   993  S SG  . CYS A 1 118 ? -2.908  26.078  9.668  1.000 19.489 0 116 CYS AAA SG  1 ? 
ATOM   994  N N   . LEU A 1 119 ? -0.280  23.746  11.105 1.000 16.608 0 117 LEU AAA N   1 ? 
ATOM   995  C CA  . LEU A 1 119 ? 1.193   23.875  11.173 1.000 16.354 0 117 LEU AAA CA  1 ? 
ATOM   996  C C   . LEU A 1 119 ? 1.625   24.943  10.162 1.000 17.249 0 117 LEU AAA C   1 ? 
ATOM   997  O O   . LEU A 1 119 ? 0.858   25.222  9.227  1.000 17.604 0 117 LEU AAA O   1 ? 
ATOM   998  C CB  . LEU A 1 119 ? 1.828   22.524  10.836 1.000 17.085 0 117 LEU AAA CB  1 ? 
ATOM   999  C CG  . LEU A 1 119 ? 1.404   21.343  11.712 1.000 17.242 0 117 LEU AAA CG  1 ? 
ATOM   1000 C CD1 . LEU A 1 119 ? 2.143   20.065  11.306 1.000 16.399 0 117 LEU AAA CD1 1 ? 
ATOM   1001 C CD2 . LEU A 1 119 ? 1.638   21.644  13.188 1.000 17.084 0 117 LEU AAA CD2 1 ? 
ATOM   1002 N N   . THR A 1 120 ? 2.810   25.530  10.328 1.000 16.432 0 118 THR AAA N   1 ? 
ATOM   1003 C CA  . THR A 1 120 ? 3.374   26.458  9.321  1.000 15.998 0 118 THR AAA CA  1 ? 
ATOM   1004 C C   . THR A 1 120 ? 3.688   25.656  8.048  1.000 16.508 0 118 THR AAA C   1 ? 
ATOM   1005 O O   . THR A 1 120 ? 3.779   24.399  8.107  1.000 15.628 0 118 THR AAA O   1 ? 
ATOM   1006 C CB  . THR A 1 120 ? 4.598   27.225  9.842  1.000 15.766 0 118 THR AAA CB  1 ? 
ATOM   1007 O OG1 . THR A 1 120 ? 5.699   26.318  9.893  1.000 13.689 0 118 THR AAA OG1 1 ? 
ATOM   1008 C CG2 . THR A 1 120 ? 4.340   27.911  11.170 1.000 15.944 0 118 THR AAA CG2 1 ? 
ATOM   1009 N N   . ASP A 1 121 ? 3.874   26.362  6.939  1.000 17.196 0 119 ASP AAA N   1 ? 
ATOM   1010 C CA  . ASP A 1 121 ? 4.081   25.771  5.595  1.000 18.619 0 119 ASP AAA CA  1 ? 
ATOM   1011 C C   . ASP A 1 121 ? 5.408   25.011  5.527  1.000 19.576 0 119 ASP AAA C   1 ? 
ATOM   1012 O O   . ASP A 1 121 ? 5.653   24.401  4.474  1.000 19.190 0 119 ASP AAA O   1 ? 
ATOM   1013 C CB  . ASP A 1 121 ? 4.052   26.851  4.514  1.000 19.972 0 119 ASP AAA CB  1 ? 
ATOM   1014 C CG  . ASP A 1 121 ? 2.659   27.111  3.982  1.000 21.435 0 119 ASP AAA CG  1 ? 
ATOM   1015 O OD1 . ASP A 1 121 ? 1.753   26.332  4.306  1.000 22.016 0 119 ASP AAA OD1 1 ? 
ATOM   1016 O OD2 . ASP A 1 121 ? 2.504   28.096  3.234  1.000 26.403 0 119 ASP AAA OD2 1 ? 
ATOM   1017 N N   . HIS A 1 122 ? 6.251   25.074  6.566  1.000 19.589 0 120 HIS AAA N   1 ? 
ATOM   1018 C CA  . HIS A 1 122 ? 7.589   24.436  6.561  1.000 20.733 0 120 HIS AAA CA  1 ? 
ATOM   1019 C C   . HIS A 1 122 ? 7.503   22.960  6.993  1.000 19.342 0 120 HIS AAA C   1 ? 
ATOM   1020 O O   . HIS A 1 122 ? 8.371   22.159  6.524  1.000 17.222 0 120 HIS AAA O   1 ? 
ATOM   1021 C CB  . HIS A 1 122 ? 8.585   25.286  7.367  1.000 24.256 0 120 HIS AAA CB  1 ? 
ATOM   1022 C CG  . HIS A 1 122 ? 9.044   26.496  6.605  1.000 29.270 0 120 HIS AAA CG  1 ? 
ATOM   1023 N ND1 . HIS A 1 122 ? 8.339   27.708  6.625  1.000 31.350 0 120 HIS AAA ND1 1 ? 
ATOM   1024 C CD2 . HIS A 1 122 ? 10.093  26.673  5.761  1.000 28.437 0 120 HIS AAA CD2 1 ? 
ATOM   1025 C CE1 . HIS A 1 122 ? 8.976   28.578  5.859  1.000 32.461 0 120 HIS AAA CE1 1 ? 
ATOM   1026 N NE2 . HIS A 1 122 ? 10.067  27.970  5.332  1.000 29.899 0 120 HIS AAA NE2 1 ? 
ATOM   1027 N N   . PHE A 1 123 ? 6.502   22.574  7.800  1.000 16.625 0 121 PHE AAA N   1 ? 
ATOM   1028 C CA  . PHE A 1 123 ? 6.366   21.170  8.273  1.000 15.957 0 121 PHE AAA CA  1 ? 
ATOM   1029 C C   . PHE A 1 123 ? 6.257   20.204  7.083  1.000 14.933 0 121 PHE AAA C   1 ? 
ATOM   1030 O O   . PHE A 1 123 ? 7.017   19.241  7.019  1.000 14.988 0 121 PHE AAA O   1 ? 
ATOM   1031 C CB  . PHE A 1 123 ? 5.160   20.945  9.187  1.000 15.662 0 121 PHE AAA CB  1 ? 
ATOM   1032 C CG  . PHE A 1 123 ? 5.097   19.513  9.658  1.000 15.061 0 121 PHE AAA CG  1 ? 
ATOM   1033 C CD1 . PHE A 1 123 ? 5.987   19.053  10.610 1.000 14.978 0 121 PHE AAA CD1 1 ? 
ATOM   1034 C CD2 . PHE A 1 123 ? 4.276   18.594  9.035  1.000 15.517 0 121 PHE AAA CD2 1 ? 
ATOM   1035 C CE1 . PHE A 1 123 ? 5.997   17.726  10.995 1.000 14.879 0 121 PHE AAA CE1 1 ? 
ATOM   1036 C CE2 . PHE A 1 123 ? 4.278   17.260  9.422  1.000 15.811 0 121 PHE AAA CE2 1 ? 
ATOM   1037 C CZ  . PHE A 1 123 ? 5.136   16.825  10.408 1.000 15.178 0 121 PHE AAA CZ  1 ? 
ATOM   1038 N N   . LYS A 1 124 ? 5.317   20.448  6.181  1.000 14.826 0 122 LYS AAA N   1 ? 
ATOM   1039 C CA  . LYS A 1 124 ? 4.925   19.444  5.159  1.000 15.883 0 122 LYS AAA CA  1 ? 
ATOM   1040 C C   . LYS A 1 124 ? 6.087   19.172  4.196  1.000 15.099 0 122 LYS AAA C   1 ? 
ATOM   1041 O O   . LYS A 1 124 ? 6.423   18.015  3.960  1.000 15.418 0 122 LYS AAA O   1 ? 
ATOM   1042 C CB  . LYS A 1 124 ? 3.651   19.890  4.450  1.000 16.667 0 122 LYS AAA CB  1 ? 
ATOM   1043 C CG  . LYS A 1 124 ? 2.365   19.555  5.192  1.000 18.154 0 122 LYS AAA CG  1 ? 
ATOM   1044 C CD  . LYS A 1 124 ? 1.135   19.722  4.321  1.000 19.492 0 122 LYS AAA CD  1 ? 
ATOM   1045 C CE  . LYS A 1 124 ? -0.151  19.363  5.033  1.000 21.571 0 122 LYS AAA CE  1 ? 
ATOM   1046 N NZ  . LYS A 1 124 ? -1.337  19.669  4.195  1.000 22.356 0 122 LYS AAA NZ  1 ? 
ATOM   1047 N N   . PRO A 1 125 ? 6.761   20.189  3.607  1.000 14.454 0 123 PRO AAA N   1 ? 
ATOM   1048 C CA  . PRO A 1 125 ? 7.956   19.932  2.790  1.000 14.063 0 123 PRO AAA CA  1 ? 
ATOM   1049 C C   . PRO A 1 125 ? 9.085   19.241  3.577  1.000 13.367 0 123 PRO AAA C   1 ? 
ATOM   1050 O O   . PRO A 1 125 ? 9.791   18.407  2.979  1.000 13.243 0 123 PRO AAA O   1 ? 
ATOM   1051 C CB  . PRO A 1 125 ? 8.404   21.308  2.264  1.000 14.125 0 123 PRO AAA CB  1 ? 
ATOM   1052 C CG  . PRO A 1 125 ? 7.170   22.196  2.451  1.000 14.198 0 123 PRO AAA CG  1 ? 
ATOM   1053 C CD  . PRO A 1 125 ? 6.394   21.611  3.617  1.000 14.481 0 123 PRO AAA CD  1 ? 
ATOM   1054 N N   . LEU A 1 126 ? 9.243   19.542  4.870  1.000 11.441 0 124 LEU AAA N   1 ? 
ATOM   1055 C CA  . LEU A 1 126 ? 10.271  18.836  5.703  1.000 11.700 0 124 LEU AAA CA  1 ? 
ATOM   1056 C C   . LEU A 1 126 ? 9.915   17.349  5.837  1.000 11.205 0 124 LEU AAA C   1 ? 
ATOM   1057 O O   . LEU A 1 126 ? 10.810  16.480  5.720  1.000 11.874 0 124 LEU AAA O   1 ? 
ATOM   1058 C CB  . LEU A 1 126 ? 10.370  19.541  7.053  1.000 11.679 0 124 LEU AAA CB  1 ? 
ATOM   1059 C CG  . LEU A 1 126 ? 11.301  18.916  8.078  1.000 12.446 0 124 LEU AAA CG  1 ? 
ATOM   1060 C CD1 . LEU A 1 126 ? 12.709  18.762  7.533  1.000 12.662 0 124 LEU AAA CD1 1 ? 
ATOM   1061 C CD2 . LEU A 1 126 ? 11.292  19.754  9.349  1.000 12.419 0 124 LEU AAA CD2 1 ? 
ATOM   1062 N N   . TRP A 1 127 ? 8.640   17.037  6.026  1.000 10.758 0 125 TRP AAA N   1 ? 
ATOM   1063 C CA  . TRP A 1 127 ? 8.177   15.627  6.044  1.000 10.875 0 125 TRP AAA CA  1 ? 
ATOM   1064 C C   . TRP A 1 127 ? 8.467   14.970  4.686  1.000 10.961 0 125 TRP AAA C   1 ? 
ATOM   1065 O O   . TRP A 1 127 ? 9.031   13.844  4.660  1.000 10.537 0 125 TRP AAA O   1 ? 
ATOM   1066 C CB  . TRP A 1 127 ? 6.700   15.556  6.425  1.000 10.949 0 125 TRP AAA CB  1 ? 
ATOM   1067 C CG  . TRP A 1 127 ? 6.193   14.158  6.554  1.000 10.587 0 125 TRP AAA CG  1 ? 
ATOM   1068 C CD1 . TRP A 1 127 ? 5.688   13.393  5.549  1.000 10.772 0 125 TRP AAA CD1 1 ? 
ATOM   1069 C CD2 . TRP A 1 127 ? 6.085   13.373  7.753  1.000 10.741 0 125 TRP AAA CD2 1 ? 
ATOM   1070 N NE1 . TRP A 1 127 ? 5.279   12.185  6.031  1.000 10.730 0 125 TRP AAA NE1 1 ? 
ATOM   1071 C CE2 . TRP A 1 127 ? 5.513   12.140  7.379  1.000 10.544 0 125 TRP AAA CE2 1 ? 
ATOM   1072 C CE3 . TRP A 1 127 ? 6.393   13.594  9.098  1.000 10.330 0 125 TRP AAA CE3 1 ? 
ATOM   1073 C CZ2 . TRP A 1 127 ? 5.261   11.136  8.298  1.000 10.488 0 125 TRP AAA CZ2 1 ? 
ATOM   1074 C CZ3 . TRP A 1 127 ? 6.139   12.601  10.009 1.000 10.119 0 125 TRP AAA CZ3 1 ? 
ATOM   1075 C CH2 . TRP A 1 127 ? 5.605   11.378  9.610  1.000 10.543 0 125 TRP AAA CH2 1 ? 
ATOM   1076 N N   . ALA A 1 128 ? 8.070   15.632  3.600  1.000 11.179 0 126 ALA AAA N   1 ? 
ATOM   1077 C CA  . ALA A 1 128 ? 8.165   15.095  2.221  1.000 12.253 0 126 ALA AAA CA  1 ? 
ATOM   1078 C C   . ALA A 1 128 ? 9.637   14.806  1.903  1.000 13.015 0 126 ALA AAA C   1 ? 
ATOM   1079 O O   . ALA A 1 128 ? 9.892   13.729  1.350  1.000 12.900 0 126 ALA AAA O   1 ? 
ATOM   1080 C CB  . ALA A 1 128 ? 7.510   16.014  1.206  1.000 12.018 0 126 ALA AAA CB  1 ? 
ATOM   1081 N N   . ARG A 1 129 ? 10.543  15.690  2.343  1.000 14.220 0 127 ARG AAA N   1 ? 
ATOM   1082 C CA  . ARG A 1 129 ? 12.014  15.604  2.164  1.000 16.009 0 127 ARG AAA CA  1 ? 
ATOM   1083 C C   . ARG A 1 129 ? 12.535  14.285  2.756  1.000 15.163 0 127 ARG AAA C   1 ? 
ATOM   1084 O O   . ARG A 1 129 ? 13.564  13.795  2.287  1.000 14.725 0 127 ARG AAA O   1 ? 
ATOM   1085 C CB  . ARG A 1 129 ? 12.660  16.792  2.897  1.000 20.192 0 127 ARG AAA CB  1 ? 
ATOM   1086 C CG  . ARG A 1 129 ? 13.967  17.311  2.326  1.000 22.960 0 127 ARG AAA CG  1 ? 
ATOM   1087 C CD  . ARG A 1 129 ? 14.405  18.597  3.030  1.000 25.776 0 127 ARG AAA CD  1 ? 
ATOM   1088 N NE  . ARG A 1 129 ? 13.345  19.600  2.989  1.000 28.529 0 127 ARG AAA NE  1 ? 
ATOM   1089 C CZ  . ARG A 1 129 ? 13.060  20.511  3.940  1.000 30.556 0 127 ARG AAA CZ  1 ? 
ATOM   1090 N NH1 . ARG A 1 129 ? 12.017  21.316  3.785  1.000 29.129 0 127 ARG AAA NH1 1 ? 
ATOM   1091 N NH2 . ARG A 1 129 ? 13.798  20.623  5.039  1.000 34.864 0 127 ARG AAA NH2 1 ? 
ATOM   1092 N N   . ASN A 1 130 ? 11.896  13.761  3.810  1.000 13.266 0 128 ASN AAA N   1 ? 
ATOM   1093 C CA  . ASN A 1 130 ? 12.510  12.731  4.690  1.000 11.950 0 128 ASN AAA CA  1 ? 
ATOM   1094 C C   . ASN A 1 130 ? 11.793  11.395  4.513  1.000 11.790 0 128 ASN AAA C   1 ? 
ATOM   1095 O O   . ASN A 1 130 ? 12.284  10.391  5.082  1.000 12.282 0 128 ASN AAA O   1 ? 
ATOM   1096 C CB  . ASN A 1 130 ? 12.574  13.229  6.143  1.000 11.361 0 128 ASN AAA CB  1 ? 
ATOM   1097 C CG  . ASN A 1 130 ? 13.740  14.174  6.341  1.000 10.488 0 128 ASN AAA CG  1 ? 
ATOM   1098 O OD1 . ASN A 1 130 ? 14.880  13.741  6.352  1.000 9.386  0 128 ASN AAA OD1 1 ? 
ATOM   1099 N ND2 . ASN A 1 130 ? 13.474  15.463  6.439  1.000 10.120 0 128 ASN AAA ND2 1 ? 
ATOM   1100 N N   . VAL A 1 131 ? 10.720  11.331  3.721  1.000 11.417 0 129 VAL AAA N   1 ? 
ATOM   1101 C CA  . VAL A 1 131 ? 9.943   10.060  3.529  1.000 10.959 0 129 VAL AAA CA  1 ? 
ATOM   1102 C C   . VAL A 1 131 ? 10.909  8.931   3.148  1.000 11.326 0 129 VAL AAA C   1 ? 
ATOM   1103 O O   . VAL A 1 131 ? 11.845  9.128   2.353  1.000 11.221 0 129 VAL AAA O   1 ? 
ATOM   1104 C CB  . VAL A 1 131 ? 8.829   10.226  2.484  1.000 10.919 0 129 VAL AAA CB  1 ? 
ATOM   1105 C CG1 . VAL A 1 131 ? 8.235   8.894   2.036  1.000 10.669 0 129 VAL AAA CG1 1 ? 
ATOM   1106 C CG2 . VAL A 1 131 ? 7.744   11.169  2.987  1.000 10.906 0 129 VAL AAA CG2 1 ? 
ATOM   1107 N N   . PRO A 1 132 ? 10.751  7.710   3.711  1.000 10.777 0 130 PRO AAA N   1 ? 
ATOM   1108 C CA  . PRO A 1 132 ? 9.811   7.418   4.795  1.000 10.376 0 130 PRO AAA CA  1 ? 
ATOM   1109 C C   . PRO A 1 132 ? 10.518  7.320   6.157  1.000 10.232 0 130 PRO AAA C   1 ? 
ATOM   1110 O O   . PRO A 1 132 ? 10.115  6.527   6.981  1.000 10.152 0 130 PRO AAA O   1 ? 
ATOM   1111 C CB  . PRO A 1 132 ? 9.325   6.056   4.296  1.000 10.240 0 130 PRO AAA CB  1 ? 
ATOM   1112 C CG  . PRO A 1 132 ? 10.619  5.380   3.887  1.000 10.416 0 130 PRO AAA CG  1 ? 
ATOM   1113 C CD  . PRO A 1 132 ? 11.452  6.491   3.277  1.000 10.503 0 130 PRO AAA CD  1 ? 
ATOM   1114 N N   . LYS A 1 133 ? 11.580  8.099   6.357  1.000 10.288 0 131 LYS AAA N   1 ? 
ATOM   1115 C CA  . LYS A 1 133 ? 12.430  8.013   7.574  1.000 10.312 0 131 LYS AAA CA  1 ? 
ATOM   1116 C C   . LYS A 1 133 ? 11.701  8.577   8.807  1.000 9.627  0 131 LYS AAA C   1 ? 
ATOM   1117 O O   . LYS A 1 133 ? 12.010  8.149   9.922  1.000 9.479  0 131 LYS AAA O   1 ? 
ATOM   1118 C CB  . LYS A 1 133 ? 13.765  8.704   7.299  1.000 10.718 0 131 LYS AAA CB  1 ? 
ATOM   1119 C CG  . LYS A 1 133 ? 14.578  8.021   6.213  1.000 11.164 0 131 LYS AAA CG  1 ? 
ATOM   1120 C CD  . LYS A 1 133 ? 15.897  8.673   5.951  1.000 11.747 0 131 LYS AAA CD  1 ? 
ATOM   1121 C CE  . LYS A 1 133 ? 15.802  9.897   5.064  1.000 12.637 0 131 LYS AAA CE  1 ? 
ATOM   1122 N NZ  . LYS A 1 133 ? 17.167  10.336  4.675  1.000 13.688 0 131 LYS AAA NZ  1 ? 
ATOM   1123 N N   . PHE A 1 134 ? 10.761  9.499   8.635  1.000 9.492  0 132 PHE AAA N   1 ? 
ATOM   1124 C CA  . PHE A 1 134 ? 10.047  10.142  9.769  1.000 9.408  0 132 PHE AAA CA  1 ? 
ATOM   1125 C C   . PHE A 1 134 ? 8.755   9.357   10.038 1.000 9.052  0 132 PHE AAA C   1 ? 
ATOM   1126 O O   . PHE A 1 134 ? 8.110   8.911   9.088  1.000 8.370  0 132 PHE AAA O   1 ? 
ATOM   1127 C CB  . PHE A 1 134 ? 9.748   11.626  9.517  1.000 9.270  0 132 PHE AAA CB  1 ? 
ATOM   1128 C CG  . PHE A 1 134 ? 10.924  12.572  9.608  1.000 9.301  0 132 PHE AAA CG  1 ? 
ATOM   1129 C CD1 . PHE A 1 134 ? 12.216  12.115  9.778  1.000 9.747  0 132 PHE AAA CD1 1 ? 
ATOM   1130 C CD2 . PHE A 1 134 ? 10.737  13.937  9.462  1.000 9.720  0 132 PHE AAA CD2 1 ? 
ATOM   1131 C CE1 . PHE A 1 134 ? 13.288  12.995  9.829  1.000 9.650  0 132 PHE AAA CE1 1 ? 
ATOM   1132 C CE2 . PHE A 1 134 ? 11.809  14.817  9.482  1.000 9.665  0 132 PHE AAA CE2 1 ? 
ATOM   1133 C CZ  . PHE A 1 134 ? 13.084  14.345  9.685  1.000 9.649  0 132 PHE AAA CZ  1 ? 
ATOM   1134 N N   . GLY A 1 135 ? 8.378   9.248   11.309 1.000 8.797  0 133 GLY AAA N   1 ? 
ATOM   1135 C CA  . GLY A 1 135 ? 7.076   8.678   11.706 1.000 8.963  0 133 GLY AAA CA  1 ? 
ATOM   1136 C C   . GLY A 1 135 ? 6.424   9.483   12.799 1.000 8.601  0 133 GLY AAA C   1 ? 
ATOM   1137 O O   . GLY A 1 135 ? 6.670   10.697  12.908 1.000 9.471  0 133 GLY AAA O   1 ? 
ATOM   1138 N N   . LEU A 1 136 ? 5.638   8.821   13.617 1.000 8.569  0 134 LEU AAA N   1 ? 
ATOM   1139 C CA  . LEU A 1 136 ? 4.792   9.481   14.641 1.000 8.070  0 134 LEU AAA CA  1 ? 
ATOM   1140 C C   . LEU A 1 136 ? 5.665   10.218  15.667 1.000 8.034  0 134 LEU AAA C   1 ? 
ATOM   1141 O O   . LEU A 1 136 ? 5.246   11.328  16.071 1.000 7.865  0 134 LEU AAA O   1 ? 
ATOM   1142 C CB  . LEU A 1 136 ? 3.886   8.420   15.265 1.000 8.080  0 134 LEU AAA CB  1 ? 
ATOM   1143 C CG  . LEU A 1 136 ? 2.967   7.713   14.270 1.000 7.899  0 134 LEU AAA CG  1 ? 
ATOM   1144 C CD1 . LEU A 1 136 ? 1.919   6.878   14.988 1.000 8.033  0 134 LEU AAA CD1 1 ? 
ATOM   1145 C CD2 . LEU A 1 136 ? 2.305   8.695   13.317 1.000 8.029  0 134 LEU AAA CD2 1 ? 
ATOM   1146 N N   . ALA A 1 137 ? 6.852   9.706   16.020 1.000 7.926  0 135 ALA AAA N   1 ? 
ATOM   1147 C CA  . ALA A 1 137 ? 7.764   10.373  16.995 1.000 7.870  0 135 ALA AAA CA  1 ? 
ATOM   1148 C C   . ALA A 1 137 ? 8.181   11.747  16.435 1.000 7.777  0 135 ALA AAA C   1 ? 
ATOM   1149 O O   . ALA A 1 137 ? 8.111   12.783  17.181 1.000 7.184  0 135 ALA AAA O   1 ? 
ATOM   1150 C CB  . ALA A 1 137 ? 8.965   9.506   17.326 1.000 7.965  0 135 ALA AAA CB  1 ? 
ATOM   1151 N N   . HIS A 1 138 ? 8.547   11.757  15.151 1.000 7.458  0 136 HIS AAA N   1 ? 
ATOM   1152 C CA  . HIS A 1 138 ? 8.963   12.955  14.396 1.000 7.387  0 136 HIS AAA CA  1 ? 
ATOM   1153 C C   . HIS A 1 138 ? 7.787   13.926  14.266 1.000 7.604  0 136 HIS AAA C   1 ? 
ATOM   1154 O O   . HIS A 1 138 ? 8.002   15.100  14.454 1.000 7.784  0 136 HIS AAA O   1 ? 
ATOM   1155 C CB  . HIS A 1 138 ? 9.521   12.562  13.030 1.000 7.599  0 136 HIS AAA CB  1 ? 
ATOM   1156 C CG  . HIS A 1 138 ? 10.667  11.615  13.102 1.000 7.491  0 136 HIS AAA CG  1 ? 
ATOM   1157 N ND1 . HIS A 1 138 ? 10.461  10.266  13.247 1.000 7.850  0 136 HIS AAA ND1 1 ? 
ATOM   1158 C CD2 . HIS A 1 138 ? 11.993  11.824  13.151 1.000 7.313  0 136 HIS AAA CD2 1 ? 
ATOM   1159 C CE1 . HIS A 1 138 ? 11.619  9.649   13.297 1.000 8.088  0 136 HIS AAA CE1 1 ? 
ATOM   1160 N NE2 . HIS A 1 138 ? 12.585  10.598  13.249 1.000 7.912  0 136 HIS AAA NE2 1 ? 
ATOM   1161 N N   . LEU A 1 139 ? 6.593   13.442  13.917 1.000 7.795  0 137 LEU AAA N   1 ? 
ATOM   1162 C CA  . LEU A 1 139 ? 5.335   14.240  13.832 1.000 7.834  0 137 LEU AAA CA  1 ? 
ATOM   1163 C C   . LEU A 1 139 ? 5.097   15.005  15.133 1.000 7.739  0 137 LEU AAA C   1 ? 
ATOM   1164 O O   . LEU A 1 139 ? 4.698   16.200  15.070 1.000 7.727  0 137 LEU AAA O   1 ? 
ATOM   1165 C CB  . LEU A 1 139 ? 4.184   13.274  13.544 1.000 8.070  0 137 LEU AAA CB  1 ? 
ATOM   1166 C CG  . LEU A 1 139 ? 2.785   13.859  13.561 1.000 8.150  0 137 LEU AAA CG  1 ? 
ATOM   1167 C CD1 . LEU A 1 139 ? 2.621   14.923  12.495 1.000 8.231  0 137 LEU AAA CD1 1 ? 
ATOM   1168 C CD2 . LEU A 1 139 ? 1.774   12.744  13.376 1.000 8.377  0 137 LEU AAA CD2 1 ? 
ATOM   1169 N N   . MET A 1 140 ? 5.354   14.359  16.268 1.000 7.748  0 138 MET AAA N   1 ? 
ATOM   1170 C CA  . MET A 1 140 ? 5.207   14.981  17.609 1.000 7.686  0 138 MET AAA CA  1 ? 
ATOM   1171 C C   . MET A 1 140 ? 6.354   15.969  17.844 1.000 7.732  0 138 MET AAA C   1 ? 
ATOM   1172 O O   . MET A 1 140 ? 6.064   17.106  18.223 1.000 7.066  0 138 MET AAA O   1 ? 
ATOM   1173 C CB  . MET A 1 140 ? 5.198   13.921  18.710 1.000 7.927  0 138 MET AAA CB  1 ? 
ATOM   1174 C CG  . MET A 1 140 ? 4.038   12.955  18.616 1.000 7.929  0 138 MET AAA CG  1 ? 
ATOM   1175 S SD  . MET A 1 140 ? 2.445   13.707  19.004 1.000 7.902  0 138 MET AAA SD  1 ? 
ATOM   1176 C CE  . MET A 1 140 ? 2.496   13.790  20.791 1.000 7.655  0 138 MET AAA CE  1 ? 
ATOM   1177 N N   . ALA A 1 141 ? 7.600   15.575  17.560 1.000 7.948  0 139 ALA AAA N   1 ? 
ATOM   1178 C CA  . ALA A 1 141 ? 8.801   16.398  17.855 1.000 8.309  0 139 ALA AAA CA  1 ? 
ATOM   1179 C C   . ALA A 1 141 ? 8.784   17.671  17.008 1.000 8.455  0 139 ALA AAA C   1 ? 
ATOM   1180 O O   . ALA A 1 141 ? 9.167   18.714  17.530 1.000 8.870  0 139 ALA AAA O   1 ? 
ATOM   1181 C CB  . ALA A 1 141 ? 10.060  15.608  17.602 1.000 8.171  0 139 ALA AAA CB  1 ? 
ATOM   1182 N N   . LEU A 1 142 ? 8.366   17.572  15.746 1.000 8.739  0 140 LEU AAA N   1 ? 
ATOM   1183 C CA  . LEU A 1 142 ? 8.549   18.599  14.691 1.000 9.278  0 140 LEU AAA CA  1 ? 
ATOM   1184 C C   . LEU A 1 142 ? 7.218   19.281  14.357 1.000 9.602  0 140 LEU AAA C   1 ? 
ATOM   1185 O O   . LEU A 1 142 ? 7.231   20.411  13.812 1.000 8.967  0 140 LEU AAA O   1 ? 
ATOM   1186 C CB  . LEU A 1 142 ? 9.104   17.894  13.453 1.000 9.991  0 140 LEU AAA CB  1 ? 
ATOM   1187 C CG  . LEU A 1 142 ? 10.564  17.453  13.499 1.000 9.947  0 140 LEU AAA CG  1 ? 
ATOM   1188 C CD1 . LEU A 1 142 ? 10.945  16.663  12.238 1.000 9.945  0 140 LEU AAA CD1 1 ? 
ATOM   1189 C CD2 . LEU A 1 142 ? 11.463  18.675  13.636 1.000 10.374 0 140 LEU AAA CD2 1 ? 
ATOM   1190 N N   . GLY A 1 143 ? 6.097   18.600  14.618 1.000 10.184 0 141 GLY AAA N   1 ? 
ATOM   1191 C CA  . GLY A 1 143 ? 4.750   19.124  14.336 1.000 10.580 0 141 GLY AAA CA  1 ? 
ATOM   1192 C C   . GLY A 1 143 ? 4.086   19.682  15.576 1.000 10.441 0 141 GLY AAA C   1 ? 
ATOM   1193 O O   . GLY A 1 143 ? 4.002   20.893  15.704 1.000 11.051 0 141 GLY AAA O   1 ? 
ATOM   1194 N N   . LEU A 1 144 ? 3.593   18.833  16.458 1.000 10.293 0 142 LEU AAA N   1 ? 
ATOM   1195 C CA  . LEU A 1 144 ? 2.764   19.292  17.592 1.000 10.235 0 142 LEU AAA CA  1 ? 
ATOM   1196 C C   . LEU A 1 144 ? 3.626   20.091  18.571 1.000 10.294 0 142 LEU AAA C   1 ? 
ATOM   1197 O O   . LEU A 1 144 ? 3.076   21.071  19.133 1.000 10.071 0 142 LEU AAA O   1 ? 
ATOM   1198 C CB  . LEU A 1 144 ? 2.108   18.099  18.282 1.000 10.759 0 142 LEU AAA CB  1 ? 
ATOM   1199 C CG  . LEU A 1 144 ? 1.310   18.443  19.535 1.000 10.681 0 142 LEU AAA CG  1 ? 
ATOM   1200 C CD1 . LEU A 1 144 ? 0.178   19.389  19.196 1.000 10.575 0 142 LEU AAA CD1 1 ? 
ATOM   1201 C CD2 . LEU A 1 144 ? 0.813   17.187  20.241 1.000 10.720 0 142 LEU AAA CD2 1 ? 
ATOM   1202 N N   . GLY A 1 145 ? 4.897   19.701  18.770 1.000 9.912  0 143 GLY AAA N   1 ? 
ATOM   1203 C CA  . GLY A 1 145 ? 5.762   20.311  19.794 1.000 9.853  0 143 GLY AAA CA  1 ? 
ATOM   1204 C C   . GLY A 1 145 ? 5.886   21.812  19.573 1.000 10.063 0 143 GLY AAA C   1 ? 
ATOM   1205 O O   . GLY A 1 145 ? 5.633   22.600  20.479 1.000 9.384  0 143 GLY AAA O   1 ? 
ATOM   1206 N N   . PRO A 1 146 ? 6.354   22.222  18.372 1.000 10.593 0 144 PRO AAA N   1 ? 
ATOM   1207 C CA  . PRO A 1 146 ? 6.515   23.640  18.026 1.000 10.538 0 144 PRO AAA CA  1 ? 
ATOM   1208 C C   . PRO A 1 146 ? 5.193   24.419  18.014 1.000 10.903 0 144 PRO AAA C   1 ? 
ATOM   1209 O O   . PRO A 1 146 ? 5.178   25.564  18.418 1.000 11.336 0 144 PRO AAA O   1 ? 
ATOM   1210 C CB  . PRO A 1 146 ? 7.112   23.600  16.603 1.000 10.786 0 144 PRO AAA CB  1 ? 
ATOM   1211 C CG  . PRO A 1 146 ? 7.791   22.234  16.539 1.000 11.092 0 144 PRO AAA CG  1 ? 
ATOM   1212 C CD  . PRO A 1 146 ? 6.898   21.319  17.343 1.000 10.368 0 144 PRO AAA CD  1 ? 
ATOM   1213 N N   . TRP A 1 147 ? 4.115   23.794  17.532 1.000 10.264 0 145 TRP AAA N   1 ? 
ATOM   1214 C CA  . TRP A 1 147 ? 2.762   24.398  17.556 1.000 10.018 0 145 TRP AAA CA  1 ? 
ATOM   1215 C C   . TRP A 1 147 ? 2.400   24.770  18.992 1.000 9.507  0 145 TRP AAA C   1 ? 
ATOM   1216 O O   . TRP A 1 147 ? 1.965   25.897  19.205 1.000 8.839  0 145 TRP AAA O   1 ? 
ATOM   1217 C CB  . TRP A 1 147 ? 1.708   23.450  16.984 1.000 10.625 0 145 TRP AAA CB  1 ? 
ATOM   1218 C CG  . TRP A 1 147 ? 0.356   24.072  16.768 1.000 10.536 0 145 TRP AAA CG  1 ? 
ATOM   1219 C CD1 . TRP A 1 147 ? -0.047  24.746  15.659 1.000 10.885 0 145 TRP AAA CD1 1 ? 
ATOM   1220 C CD2 . TRP A 1 147 ? -0.782  24.045  17.646 1.000 10.799 0 145 TRP AAA CD2 1 ? 
ATOM   1221 N NE1 . TRP A 1 147 ? -1.363  25.114  15.764 1.000 11.242 0 145 TRP AAA NE1 1 ? 
ATOM   1222 C CE2 . TRP A 1 147 ? -1.843  24.708  16.977 1.000 10.975 0 145 TRP AAA CE2 1 ? 
ATOM   1223 C CE3 . TRP A 1 147 ? -1.015  23.532  18.924 1.000 11.600 0 145 TRP AAA CE3 1 ? 
ATOM   1224 C CZ2 . TRP A 1 147 ? -3.092  24.908  17.548 1.000 10.798 0 145 TRP AAA CZ2 1 ? 
ATOM   1225 C CZ3 . TRP A 1 147 ? -2.263  23.712  19.490 1.000 11.711 0 145 TRP AAA CZ3 1 ? 
ATOM   1226 C CH2 . TRP A 1 147 ? -3.286  24.376  18.801 1.000 11.736 0 145 TRP AAA CH2 1 ? 
ATOM   1227 N N   . LEU A 1 148 ? 2.537   23.846  19.936 1.000 9.231  0 146 LEU AAA N   1 ? 
ATOM   1228 C CA  . LEU A 1 148 ? 2.147   24.115  21.346 1.000 9.572  0 146 LEU AAA CA  1 ? 
ATOM   1229 C C   . LEU A 1 148 ? 2.984   25.286  21.874 1.000 10.016 0 146 LEU AAA C   1 ? 
ATOM   1230 O O   . LEU A 1 148 ? 2.432   26.117  22.599 1.000 10.027 0 146 LEU AAA O   1 ? 
ATOM   1231 C CB  . LEU A 1 148 ? 2.398   22.878  22.211 1.000 9.732  0 146 LEU AAA CB  1 ? 
ATOM   1232 C CG  . LEU A 1 148 ? 1.442   21.715  22.012 1.000 9.442  0 146 LEU AAA CG  1 ? 
ATOM   1233 C CD1 . LEU A 1 148 ? 1.940   20.467  22.725 1.000 9.597  0 146 LEU AAA CD1 1 ? 
ATOM   1234 C CD2 . LEU A 1 148 ? 0.039   22.091  22.463 1.000 9.370  0 146 LEU AAA CD2 1 ? 
ATOM   1235 N N   . ALA A 1 149 ? 4.282   25.330  21.538 1.000 10.742 0 147 ALA AAA N   1 ? 
ATOM   1236 C CA  . ALA A 1 149 ? 5.239   26.298  22.129 1.000 11.196 0 147 ALA AAA CA  1 ? 
ATOM   1237 C C   . ALA A 1 149 ? 4.968   27.722  21.627 1.000 10.585 0 147 ALA AAA C   1 ? 
ATOM   1238 O O   . ALA A 1 149 ? 5.552   28.625  22.191 1.000 11.291 0 147 ALA AAA O   1 ? 
ATOM   1239 C CB  . ALA A 1 149 ? 6.674   25.867  21.884 1.000 11.292 0 147 ALA AAA CB  1 ? 
ATOM   1240 N N   . VAL A 1 150 ? 4.159   27.917  20.591 1.000 10.759 0 148 VAL AAA N   1 ? 
ATOM   1241 C CA  . VAL A 1 150 ? 3.676   29.273  20.185 1.000 11.480 0 148 VAL AAA CA  1 ? 
ATOM   1242 C C   . VAL A 1 150 ? 2.246   29.438  20.711 1.000 11.699 0 148 VAL AAA C   1 ? 
ATOM   1243 O O   . VAL A 1 150 ? 1.954   30.470  21.354 1.000 11.424 0 148 VAL AAA O   1 ? 
ATOM   1244 C CB  . VAL A 1 150 ? 3.750   29.487  18.659 1.000 11.235 0 148 VAL AAA CB  1 ? 
ATOM   1245 C CG1 . VAL A 1 150 ? 2.972   30.726  18.213 1.000 11.628 0 148 VAL AAA CG1 1 ? 
ATOM   1246 C CG2 . VAL A 1 150 ? 5.191   29.562  18.185 1.000 11.631 0 148 VAL AAA CG2 1 ? 
ATOM   1247 N N   . ILE A 1 151 ? 1.362   28.485  20.419 1.000 12.267 0 149 ILE AAA N   1 ? 
ATOM   1248 C CA  . ILE A 1 151 ? -0.104  28.705  20.613 1.000 13.081 0 149 ILE AAA CA  1 ? 
ATOM   1249 C C   . ILE A 1 151 ? -0.442  28.717  22.106 1.000 12.733 0 149 ILE AAA C   1 ? 
ATOM   1250 O O   . ILE A 1 151 ? -1.288  29.534  22.513 1.000 13.065 0 149 ILE AAA O   1 ? 
ATOM   1251 C CB  . ILE A 1 151 ? -0.936  27.669  19.827 1.000 14.085 0 149 ILE AAA CB  1 ? 
ATOM   1252 C CG1 . ILE A 1 151 ? -0.864  27.942  18.321 1.000 14.685 0 149 ILE AAA CG1 1 ? 
ATOM   1253 C CG2 . ILE A 1 151 ? -2.383  27.602  20.305 1.000 14.401 0 149 ILE AAA CG2 1 ? 
ATOM   1254 C CD1 . ILE A 1 151 ? -1.103  29.409  17.959 1.000 16.047 0 149 ILE AAA CD1 1 ? 
ATOM   1255 N N   . ILE A 1 152 ? 0.128   27.816  22.903 1.000 12.470 0 150 ILE AAA N   1 ? 
ATOM   1256 C CA  . ILE A 1 152 ? -0.358  27.674  24.301 1.000 12.540 0 150 ILE AAA CA  1 ? 
ATOM   1257 C C   . ILE A 1 152 ? -0.050  28.960  25.068 1.000 12.810 0 150 ILE AAA C   1 ? 
ATOM   1258 O O   . ILE A 1 152 ? -0.955  29.474  25.716 1.000 11.922 0 150 ILE AAA O   1 ? 
ATOM   1259 C CB  . ILE A 1 152 ? 0.146   26.399  24.997 1.000 12.108 0 150 ILE AAA CB  1 ? 
ATOM   1260 C CG1 . ILE A 1 152 ? -0.179  25.143  24.181 1.000 12.560 0 150 ILE AAA CG1 1 ? 
ATOM   1261 C CG2 . ILE A 1 152 ? -0.435  26.340  26.390 1.000 11.776 0 150 ILE AAA CG2 1 ? 
ATOM   1262 C CD1 . ILE A 1 152 ? -1.670  24.978  23.826 1.000 12.045 0 150 ILE AAA CD1 1 ? 
ATOM   1263 N N   . PRO A 1 153 ? 1.203   29.482  25.031 1.000 12.716 0 151 PRO AAA N   1 ? 
ATOM   1264 C CA  . PRO A 1 153 ? 1.554   30.732  25.721 1.000 13.298 0 151 PRO AAA CA  1 ? 
ATOM   1265 C C   . PRO A 1 153 ? 0.645   31.905  25.304 1.000 14.420 0 151 PRO AAA C   1 ? 
ATOM   1266 O O   . PRO A 1 153 ? 0.276   32.734  26.145 1.000 14.702 0 151 PRO AAA O   1 ? 
ATOM   1267 C CB  . PRO A 1 153 ? 3.020   30.983  25.303 1.000 12.775 0 151 PRO AAA CB  1 ? 
ATOM   1268 C CG  . PRO A 1 153 ? 3.548   29.596  25.002 1.000 13.015 0 151 PRO AAA CG  1 ? 
ATOM   1269 C CD  . PRO A 1 153 ? 2.376   28.857  24.387 1.000 12.763 0 151 PRO AAA CD  1 ? 
ATOM   1270 N N   . ASP A 1 154 ? 0.304   31.951  24.021 1.000 14.592 0 152 ASP AAA N   1 ? 
ATOM   1271 C CA  . ASP A 1 154 ? -0.616  32.955  23.441 1.000 16.790 0 152 ASP AAA CA  1 ? 
ATOM   1272 C C   . ASP A 1 154 ? -1.986  32.788  24.116 1.000 17.136 0 152 ASP AAA C   1 ? 
ATOM   1273 O O   . ASP A 1 154 ? -2.501  33.776  24.684 1.000 18.548 0 152 ASP AAA O   1 ? 
ATOM   1274 C CB  . ASP A 1 154 ? -0.690  32.825  21.910 1.000 17.135 0 152 ASP AAA CB  1 ? 
ATOM   1275 C CG  . ASP A 1 154 ? -1.593  33.848  21.242 1.000 17.939 0 152 ASP AAA CG  1 ? 
ATOM   1276 O OD1 . ASP A 1 154 ? -1.371  35.055  21.474 1.000 18.473 0 152 ASP AAA OD1 1 ? 
ATOM   1277 O OD2 . ASP A 1 154 ? -2.527  33.431  20.511 1.000 18.684 0 152 ASP AAA OD2 1 ? 
ATOM   1278 N N   . LEU A 1 155 ? -2.571  31.597  24.059 1.000 16.877 0 153 LEU AAA N   1 ? 
ATOM   1279 C CA  . LEU A 1 155 ? -3.936  31.398  24.595 1.000 17.096 0 153 LEU AAA CA  1 ? 
ATOM   1280 C C   . LEU A 1 155 ? -3.932  31.694  26.101 1.000 17.806 0 153 LEU AAA C   1 ? 
ATOM   1281 O O   . LEU A 1 155 ? -4.903  32.329  26.577 1.000 17.495 0 153 LEU AAA O   1 ? 
ATOM   1282 C CB  . LEU A 1 155 ? -4.434  29.989  24.264 1.000 18.630 0 153 LEU AAA CB  1 ? 
ATOM   1283 C CG  . LEU A 1 155 ? -4.676  29.737  22.776 1.000 20.249 0 153 LEU AAA CG  1 ? 
ATOM   1284 C CD1 . LEU A 1 155 ? -5.372  28.401  22.548 1.000 22.342 0 153 LEU AAA CD1 1 ? 
ATOM   1285 C CD2 . LEU A 1 155 ? -5.456  30.866  22.120 1.000 20.561 0 153 LEU AAA CD2 1 ? 
ATOM   1286 N N   . ILE A 1 156 ? -2.878  31.342  26.844 1.000 16.615 0 154 ILE AAA N   1 ? 
ATOM   1287 C CA  . ILE A 1 156 ? -2.879  31.645  28.306 1.000 16.791 0 154 ILE AAA CA  1 ? 
ATOM   1288 C C   . ILE A 1 156 ? -2.848  33.168  28.506 1.000 18.749 0 154 ILE AAA C   1 ? 
ATOM   1289 O O   . ILE A 1 156 ? -3.555  33.685  29.399 1.000 18.335 0 154 ILE AAA O   1 ? 
ATOM   1290 C CB  . ILE A 1 156 ? -1.732  30.930  29.032 1.000 16.266 0 154 ILE AAA CB  1 ? 
ATOM   1291 C CG1 . ILE A 1 156 ? -1.899  29.408  28.972 1.000 15.918 0 154 ILE AAA CG1 1 ? 
ATOM   1292 C CG2 . ILE A 1 156 ? -1.608  31.423  30.467 1.000 15.752 0 154 ILE AAA CG2 1 ? 
ATOM   1293 C CD1 . ILE A 1 156 ? -0.613  28.640  29.230 1.000 16.203 0 154 ILE AAA CD1 1 ? 
ATOM   1294 N N   . GLN A 1 157 ? -2.016  33.870  27.749 1.000 19.880 0 155 GLN AAA N   1 ? 
ATOM   1295 C CA  . GLN A 1 157 ? -1.865  35.337  27.890 1.000 22.361 0 155 GLN AAA CA  1 ? 
ATOM   1296 C C   . GLN A 1 157 ? -3.191  36.020  27.560 1.000 23.676 0 155 GLN AAA C   1 ? 
ATOM   1297 O O   . GLN A 1 157 ? -3.515  36.984  28.252 1.000 23.771 0 155 GLN AAA O   1 ? 
ATOM   1298 C CB  . GLN A 1 157 ? -0.761  35.874  26.984 1.000 23.310 0 155 GLN AAA CB  1 ? 
ATOM   1299 C CG  . GLN A 1 157 ? -0.625  37.397  27.017 1.000 24.680 0 155 GLN AAA CG  1 ? 
ATOM   1300 C CD  . GLN A 1 157 ? -1.441  38.145  25.981 1.000 26.986 0 155 GLN AAA CD  1 ? 
ATOM   1301 O OE1 . GLN A 1 157 ? -1.924  39.251  26.232 1.000 27.931 0 155 GLN AAA OE1 1 ? 
ATOM   1302 N NE2 . GLN A 1 157 ? -1.563  37.587  24.784 1.000 29.337 0 155 GLN AAA NE2 1 ? 
ATOM   1303 N N   . LYS A 1 158 ? -3.916  35.541  26.540 1.000 24.328 0 156 LYS AAA N   1 ? 
ATOM   1304 C CA  . LYS A 1 158 ? -5.222  36.118  26.117 1.000 23.933 0 156 LYS AAA CA  1 ? 
ATOM   1305 C C   . LYS A 1 158 ? -6.350  35.657  27.044 1.000 23.356 0 156 LYS AAA C   1 ? 
ATOM   1306 O O   . LYS A 1 158 ? -7.511  35.964  26.726 1.000 24.290 0 156 LYS AAA O   1 ? 
ATOM   1307 C CB  . LYS A 1 158 ? -5.531  35.724  24.673 1.000 25.432 0 156 LYS AAA CB  1 ? 
ATOM   1308 C CG  . LYS A 1 158 ? -4.775  36.548  23.641 1.000 27.472 0 156 LYS AAA CG  1 ? 
ATOM   1309 C CD  . LYS A 1 158 ? -4.764  35.950  22.246 1.000 29.773 0 156 LYS AAA CD  1 ? 
ATOM   1310 C CE  . LYS A 1 158 ? -4.194  36.902  21.212 1.000 31.586 0 156 LYS AAA CE  1 ? 
ATOM   1311 N NZ  . LYS A 1 158 ? -4.033  36.236  19.895 1.000 36.564 0 156 LYS AAA NZ  1 ? 
ATOM   1312 N N   . GLY A 1 159 ? -6.037  34.930  28.117 1.000 23.422 0 157 GLY AAA N   1 ? 
ATOM   1313 C CA  . GLY A 1 159 ? -7.013  34.343  29.053 1.000 23.913 0 157 GLY AAA CA  1 ? 
ATOM   1314 C C   . GLY A 1 159 ? -8.035  33.427  28.370 1.000 26.205 0 157 GLY AAA C   1 ? 
ATOM   1315 O O   . GLY A 1 159 ? -9.133  33.201  28.964 1.000 25.752 0 157 GLY AAA O   1 ? 
ATOM   1316 N N   . VAL A 1 160 ? -7.718  32.890  27.187 1.000 25.281 0 158 VAL AAA N   1 ? 
ATOM   1317 C CA  . VAL A 1 160 ? -8.625  31.997  26.400 1.000 26.157 0 158 VAL AAA CA  1 ? 
ATOM   1318 C C   . VAL A 1 160 ? -8.622  30.605  27.035 1.000 26.280 0 158 VAL AAA C   1 ? 
ATOM   1319 O O   . VAL A 1 160 ? -9.655  29.924  26.964 1.000 30.698 0 158 VAL AAA O   1 ? 
ATOM   1320 C CB  . VAL A 1 160 ? -8.200  31.951  24.913 1.000 27.595 0 158 VAL AAA CB  1 ? 
ATOM   1321 C CG1 . VAL A 1 160 ? -8.897  30.852  24.120 1.000 27.738 0 158 VAL AAA CG1 1 ? 
ATOM   1322 C CG2 . VAL A 1 160 ? -8.428  33.287  24.237 1.000 28.000 0 158 VAL AAA CG2 1 ? 
ATOM   1323 N N   . ILE A 1 161 ? -7.494  30.178  27.603 1.000 24.506 0 159 ILE AAA N   1 ? 
ATOM   1324 C CA  . ILE A 1 161 ? -7.389  28.856  28.285 1.000 25.651 0 159 ILE AAA CA  1 ? 
ATOM   1325 C C   . ILE A 1 161 ? -6.865  29.093  29.704 1.000 25.789 0 159 ILE AAA C   1 ? 
ATOM   1326 O O   . ILE A 1 161 ? -5.986  29.965  29.895 1.000 27.330 0 159 ILE AAA O   1 ? 
ATOM   1327 C CB  . ILE A 1 161 ? -6.581  27.842  27.441 1.000 24.253 0 159 ILE AAA CB  1 ? 
ATOM   1328 C CG1 . ILE A 1 161 ? -5.091  27.803  27.761 1.000 23.317 0 159 ILE AAA CG1 1 ? 
ATOM   1329 C CD1 . ILE A 1 161 ? -4.740  26.770  28.798 1.000 24.110 0 159 ILE AAA CD1 1 ? 
ATOM   1330 N N   . HIS A 1 162 ? -7.452  28.389  30.668 1.000 27.273 0 160 HIS AAA N   1 ? 
ATOM   1331 C CA  . HIS A 1 162 ? -7.200  28.598  32.113 1.000 29.268 0 160 HIS AAA CA  1 ? 
ATOM   1332 C C   . HIS A 1 162 ? -6.712  27.284  32.696 1.000 27.675 0 160 HIS AAA C   1 ? 
ATOM   1333 O O   . HIS A 1 162 ? -7.084  26.219  32.179 1.000 28.257 0 160 HIS AAA O   1 ? 
ATOM   1334 C CB  . HIS A 1 162 ? -8.443  29.138  32.851 1.000 31.391 0 160 HIS AAA CB  1 ? 
ATOM   1335 C CG  . HIS A 1 162 ? -9.199  30.190  32.113 1.000 34.869 0 160 HIS AAA CG  1 ? 
ATOM   1336 N ND1 . HIS A 1 162 ? -9.993  29.898  31.008 1.000 39.482 0 160 HIS AAA ND1 1 ? 
ATOM   1337 C CD2 . HIS A 1 162 ? -9.312  31.521  32.317 1.000 35.804 0 160 HIS AAA CD2 1 ? 
ATOM   1338 C CE1 . HIS A 1 162 ? -10.542 31.010  30.556 1.000 36.986 0 160 HIS AAA CE1 1 ? 
ATOM   1339 N NE2 . HIS A 1 162 ? -10.149 32.013  31.351 1.000 35.672 0 160 HIS AAA NE2 1 ? 
ATOM   1340 N N   . HIS A 1 163 ? -5.924  27.383  33.754 1.000 28.448 0 161 HIS AAA N   1 ? 
ATOM   1341 C CA  . HIS A 1 163 ? -5.283  26.216  34.405 1.000 29.917 0 161 HIS AAA CA  1 ? 
ATOM   1342 C C   . HIS A 1 163 ? -6.298  25.488  35.305 1.000 30.540 0 161 HIS AAA C   1 ? 
ATOM   1343 O O   . HIS A 1 163 ? -6.904  26.132  36.179 1.000 26.140 0 161 HIS AAA O   1 ? 
ATOM   1344 C CB  . HIS A 1 163 ? -4.005  26.628  35.141 1.000 27.635 0 161 HIS AAA CB  1 ? 
ATOM   1345 C CG  . HIS A 1 163 ? -3.364  25.434  35.747 1.000 26.733 0 161 HIS AAA CG  1 ? 
ATOM   1346 N ND1 . HIS A 1 163 ? -2.720  24.484  34.978 1.000 27.211 0 161 HIS AAA ND1 1 ? 
ATOM   1347 C CD2 . HIS A 1 163 ? -3.358  24.979  37.010 1.000 26.353 0 161 HIS AAA CD2 1 ? 
ATOM   1348 C CE1 . HIS A 1 163 ? -2.326  23.499  35.749 1.000 26.878 0 161 HIS AAA CE1 1 ? 
ATOM   1349 N NE2 . HIS A 1 163 ? -2.679  23.793  37.017 1.000 27.691 0 161 HIS AAA NE2 1 ? 
ATOM   1350 N N   . LYS A 1 164 ? -6.456  24.177  35.092 1.000 36.595 0 162 LYS AAA N   1 ? 
ATOM   1351 C CA  . LYS A 1 164 ? -7.314  23.279  35.912 1.000 39.975 0 162 LYS AAA CA  1 ? 
ATOM   1352 C C   . LYS A 1 164 ? -6.623  23.068  37.267 1.000 42.459 0 162 LYS AAA C   1 ? 
ATOM   1353 O O   . LYS A 1 164 ? -5.664  22.267  37.313 1.000 47.390 0 162 LYS AAA O   1 ? 
ATOM   1354 C CB  . LYS A 1 164 ? -7.549  21.954  35.175 1.000 37.783 0 162 LYS AAA CB  1 ? 
ATOM   1355 N N   . GLU A 1 165 ? -7.070  23.775  38.312 1.000 42.730 0 163 GLU AAA N   1 ? 
ATOM   1356 C CA  . GLU A 1 165 ? -6.529  23.647  39.695 1.000 48.047 0 163 GLU AAA CA  1 ? 
ATOM   1357 C C   . GLU A 1 165 ? -6.862  22.260  40.279 1.000 48.312 0 163 GLU AAA C   1 ? 
ATOM   1358 O O   . GLU A 1 165 ? -8.038  21.869  40.241 1.000 49.009 0 163 GLU AAA O   1 ? 
ATOM   1359 C CB  . GLU A 1 165 ? -7.075  24.761  40.588 1.000 46.299 0 163 GLU AAA CB  1 ? 
ATOM   1360 C CG  . GLU A 1 165 ? -6.294  24.904  41.883 1.000 47.564 0 163 GLU AAA CG  1 ? 
ATOM   1361 C CD  . GLU A 1 165 ? -6.042  26.337  42.303 1.000 46.066 0 163 GLU AAA CD  1 ? 
ATOM   1362 O OE1 . GLU A 1 165 ? -6.760  27.224  41.807 1.000 52.735 0 163 GLU AAA OE1 1 ? 
ATOM   1363 O OE2 . GLU A 1 165 ? -5.123  26.562  43.101 1.000 38.616 0 163 GLU AAA OE2 1 ? 
ATOM   1364 N N   . LYS A 1 166 ? -5.867  21.557  40.834 1.000 49.431 0 164 LYS AAA N   1 ? 
ATOM   1365 C CA  . LYS A 1 166 ? -5.977  20.114  41.191 1.000 51.995 0 164 LYS AAA CA  1 ? 
ATOM   1366 C C   . LYS A 1 166 ? -4.967  19.752  42.294 1.000 52.750 0 164 LYS AAA C   1 ? 
ATOM   1367 O O   . LYS A 1 166 ? -3.925  20.447  42.400 1.000 58.994 0 164 LYS AAA O   1 ? 
ATOM   1368 C CB  . LYS A 1 166 ? -5.767  19.253  39.935 1.000 45.010 0 164 LYS AAA CB  1 ? 
ATOM   1369 N N   . CYS A 1 167 ? -5.282  18.714  43.088 1.000 51.615 0 165 CYS AAA N   1 ? 
ATOM   1370 C CA  . CYS A 1 167 ? -4.375  18.032  44.058 1.000 47.920 0 165 CYS AAA CA  1 ? 
ATOM   1371 C C   . CYS A 1 167 ? -4.597  16.509  44.015 1.000 50.214 0 165 CYS AAA C   1 ? 
ATOM   1372 O O   . CYS A 1 167 ? -4.422  15.807  43.015 1.000 48.228 0 165 CYS AAA O   1 ? 
ATOM   1373 C CB  . CYS A 1 167 ? -4.616  18.497  45.490 1.000 45.495 0 165 CYS AAA CB  1 ? 
ATOM   1374 S SG  . CYS A 1 167 ? -4.730  20.298  45.709 1.000 38.952 0 165 CYS AAA SG  1 ? 
HETATM 1375 N N1  . IMD B 2 .   ? -0.625  21.727  37.140 1.000 37.064 0 201 IMD AAA N1  1 ? 
HETATM 1376 C C2  . IMD B 2 .   ? -0.881  21.391  38.390 1.000 38.284 0 201 IMD AAA C2  1 ? 
HETATM 1377 N N3  . IMD B 2 .   ? 0.273   21.432  39.037 1.000 36.527 0 201 IMD AAA N3  1 ? 
HETATM 1378 C C4  . IMD B 2 .   ? 1.225   21.824  38.162 1.000 35.471 0 201 IMD AAA C4  1 ? 
HETATM 1379 C C5  . IMD B 2 .   ? 0.560   22.384  37.167 1.000 34.603 0 201 IMD AAA C5  1 ? 
HETATM 1380 O O   . HOH C 3 .   ? 3.765   34.897  32.244 1.000 25.061 0 301 HOH AAA O   1 ? 
HETATM 1381 O O   . HOH C 3 .   ? -3.706  12.940  32.855 1.000 38.749 0 302 HOH AAA O   1 ? 
HETATM 1382 O O   . HOH C 3 .   ? -5.853  -9.711  18.688 1.000 43.470 0 303 HOH AAA O   1 ? 
HETATM 1383 O O   . HOH C 3 .   ? 7.645   11.473  33.325 1.000 25.898 0 304 HOH AAA O   1 ? 
HETATM 1384 O O   . HOH C 3 .   ? -3.945  8.813   2.236  1.000 36.974 0 305 HOH AAA O   1 ? 
HETATM 1385 O O   . HOH C 3 .   ? -5.867  27.974  37.423 1.000 41.083 0 306 HOH AAA O   1 ? 
HETATM 1386 O O   . HOH C 3 .   ? 15.550  2.226   10.341 1.000 14.284 0 307 HOH AAA O   1 ? 
HETATM 1387 O O   . HOH C 3 .   ? -1.866  20.078  41.060 1.000 27.054 0 308 HOH AAA O   1 ? 
HETATM 1388 O O   . HOH C 3 .   ? 2.973   22.444  6.787  1.000 8.788  0 309 HOH AAA O   1 ? 
HETATM 1389 O O   . HOH C 3 .   ? 10.169  19.256  19.750 1.000 23.548 0 310 HOH AAA O   1 ? 
HETATM 1390 O O   . HOH C 3 .   ? 13.970  2.368   23.693 1.000 27.630 0 311 HOH AAA O   1 ? 
HETATM 1391 O O   . HOH C 3 .   ? -7.949  12.797  9.356  1.000 26.957 0 312 HOH AAA O   1 ? 
HETATM 1392 O O   . HOH C 3 .   ? 3.637   -0.855  1.161  1.000 27.743 0 313 HOH AAA O   1 ? 
HETATM 1393 O O   . HOH C 3 .   ? -6.284  13.076  11.850 1.000 13.469 0 314 HOH AAA O   1 ? 
HETATM 1394 O O   . HOH C 3 .   ? -5.356  32.161  31.015 1.000 31.191 0 315 HOH AAA O   1 ? 
HETATM 1395 O O   . HOH C 3 .   ? 2.179   33.765  27.490 1.000 40.982 0 316 HOH AAA O   1 ? 
HETATM 1396 O O   . HOH C 3 .   ? -6.051  29.668  41.573 1.000 29.712 0 317 HOH AAA O   1 ? 
HETATM 1397 O O   . HOH C 3 .   ? 4.552   16.407  30.997 1.000 31.184 0 318 HOH AAA O   1 ? 
HETATM 1398 O O   . HOH C 3 .   ? -5.674  34.282  19.712 1.000 34.520 0 319 HOH AAA O   1 ? 
HETATM 1399 O O   . HOH C 3 .   ? -3.237  -4.094  6.337  1.000 25.398 0 320 HOH AAA O   1 ? 
HETATM 1400 O O   . HOH C 3 .   ? -0.949  1.411   21.870 1.000 5.708  0 321 HOH AAA O   1 ? 
HETATM 1401 O O   . HOH C 3 .   ? 6.169   22.122  22.952 1.000 7.441  0 322 HOH AAA O   1 ? 
HETATM 1402 O O   . HOH C 3 .   ? 10.097  18.503  0.411  1.000 19.876 0 323 HOH AAA O   1 ? 
HETATM 1403 O O   . HOH C 3 .   ? 11.538  16.785  21.179 1.000 11.266 0 324 HOH AAA O   1 ? 
HETATM 1404 O O   . HOH C 3 .   ? 13.031  20.959  32.775 1.000 11.511 0 325 HOH AAA O   1 ? 
HETATM 1405 O O   . HOH C 3 .   ? 7.601   26.986  33.636 1.000 23.437 0 326 HOH AAA O   1 ? 
HETATM 1406 O O   . HOH C 3 .   ? -10.136 20.121  11.527 1.000 21.817 0 327 HOH AAA O   1 ? 
HETATM 1407 O O   . HOH C 3 .   ? -6.394  1.593   22.236 1.000 38.187 0 328 HOH AAA O   1 ? 
HETATM 1408 O O   . HOH C 3 .   ? 11.824  16.463  24.213 1.000 16.342 0 329 HOH AAA O   1 ? 
HETATM 1409 O O   . HOH C 3 .   ? 7.305   -7.602  10.797 1.000 21.671 0 330 HOH AAA O   1 ? 
HETATM 1410 O O   . HOH C 3 .   ? -0.857  25.483  7.234  1.000 44.608 0 331 HOH AAA O   1 ? 
HETATM 1411 O O   . HOH C 3 .   ? -13.988 19.851  19.914 1.000 15.141 0 332 HOH AAA O   1 ? 
HETATM 1412 O O   . HOH C 3 .   ? 17.837  8.840   26.840 1.000 46.226 0 333 HOH AAA O   1 ? 
HETATM 1413 O O   . HOH C 3 .   ? 26.282  22.722  14.880 1.000 23.470 0 334 HOH AAA O   1 ? 
HETATM 1414 O O   . HOH C 3 .   ? 12.612  11.342  1.115  1.000 26.333 0 335 HOH AAA O   1 ? 
HETATM 1415 O O   . HOH C 3 .   ? 12.431  2.255   2.637  1.000 13.860 0 336 HOH AAA O   1 ? 
HETATM 1416 O O   . HOH C 3 .   ? 10.344  23.044  4.986  1.000 21.583 0 337 HOH AAA O   1 ? 
HETATM 1417 O O   . HOH C 3 .   ? 3.697   2.450   -1.887 1.000 12.370 0 338 HOH AAA O   1 ? 
HETATM 1418 O O   . HOH C 3 .   ? -4.515  -1.680  9.245  1.000 21.458 0 339 HOH AAA O   1 ? 
HETATM 1419 O O   . HOH C 3 .   ? -10.082 35.286  26.776 1.000 41.768 0 340 HOH AAA O   1 ? 
HETATM 1420 O O   . HOH C 3 .   ? 3.295   32.684  21.965 1.000 16.508 0 341 HOH AAA O   1 ? 
HETATM 1421 O O   . HOH C 3 .   ? 0.995   27.449  12.972 1.000 21.950 0 342 HOH AAA O   1 ? 
HETATM 1422 O O   . HOH C 3 .   ? 5.969   5.477   31.621 1.000 36.929 0 343 HOH AAA O   1 ? 
HETATM 1423 O O   . HOH C 3 .   ? 15.418  10.502  13.645 1.000 19.513 0 344 HOH AAA O   1 ? 
HETATM 1424 O O   . HOH C 3 .   ? 23.416  19.684  9.775  1.000 21.883 0 345 HOH AAA O   1 ? 
HETATM 1425 O O   . HOH C 3 .   ? 6.103   6.955   -1.559 1.000 23.007 0 346 HOH AAA O   1 ? 
HETATM 1426 O O   . HOH C 3 .   ? 14.268  7.739   30.478 1.000 20.907 0 347 HOH AAA O   1 ? 
HETATM 1427 O O   . HOH C 3 .   ? 0.775   24.164  5.525  1.000 40.572 0 348 HOH AAA O   1 ? 
HETATM 1428 O O   . HOH C 3 .   ? -13.785 23.501  22.646 1.000 28.635 0 349 HOH AAA O   1 ? 
HETATM 1429 O O   . HOH C 3 .   ? 26.291  19.339  12.236 1.000 25.136 0 350 HOH AAA O   1 ? 
HETATM 1430 O O   . HOH C 3 .   ? 6.013   23.724  10.489 1.000 35.893 0 351 HOH AAA O   1 ? 
HETATM 1431 O O   . HOH C 3 .   ? 12.779  7.880   0.169  1.000 13.041 0 352 HOH AAA O   1 ? 
HETATM 1432 O O   . HOH C 3 .   ? -3.095  18.868  11.819 1.000 16.945 0 353 HOH AAA O   1 ? 
HETATM 1433 O O   . HOH C 3 .   ? 20.137  25.897  12.638 1.000 16.045 0 354 HOH AAA O   1 ? 
HETATM 1434 O O   . HOH C 3 .   ? -9.928  12.020  10.390 1.000 36.128 0 355 HOH AAA O   1 ? 
HETATM 1435 O O   . HOH C 3 .   ? 13.631  15.440  20.356 1.000 15.838 0 356 HOH AAA O   1 ? 
HETATM 1436 O O   . HOH C 3 .   ? 9.275   21.718  12.641 1.000 14.030 0 357 HOH AAA O   1 ? 
HETATM 1437 O O   . HOH C 3 .   ? -4.535  12.211  9.774  1.000 12.184 0 358 HOH AAA O   1 ? 
HETATM 1438 O O   . HOH C 3 .   ? 18.324  17.298  9.009  1.000 20.541 0 359 HOH AAA O   1 ? 
HETATM 1439 O O   . HOH C 3 .   ? 8.104   30.728  33.058 1.000 26.867 0 360 HOH AAA O   1 ? 
HETATM 1440 O O   . HOH C 3 .   ? -7.862  8.615   16.906 1.000 19.339 0 361 HOH AAA O   1 ? 
HETATM 1441 O O   . HOH C 3 .   ? 7.108   11.953  26.252 1.000 9.072  0 362 HOH AAA O   1 ? 
HETATM 1442 O O   . HOH C 3 .   ? -10.448 27.391  26.370 1.000 52.805 0 363 HOH AAA O   1 ? 
HETATM 1443 O O   . HOH C 3 .   ? 16.748  13.366  8.295  1.000 20.297 0 364 HOH AAA O   1 ? 
HETATM 1444 O O   . HOH C 3 .   ? 15.258  4.289   6.682  1.000 20.648 0 365 HOH AAA O   1 ? 
HETATM 1445 O O   . HOH C 3 .   ? 9.201   11.650  6.276  1.000 7.812  0 366 HOH AAA O   1 ? 
HETATM 1446 O O   . HOH C 3 .   ? -13.926 31.105  17.096 1.000 19.759 0 367 HOH AAA O   1 ? 
HETATM 1447 O O   . HOH C 3 .   ? 7.049   6.781   15.568 1.000 10.756 0 368 HOH AAA O   1 ? 
HETATM 1448 O O   . HOH C 3 .   ? -11.054 34.897  29.940 1.000 38.970 0 369 HOH AAA O   1 ? 
HETATM 1449 O O   . HOH C 3 .   ? -8.489  13.077  13.050 1.000 30.986 0 370 HOH AAA O   1 ? 
HETATM 1450 O O   . HOH C 3 .   ? -6.801  16.545  41.854 1.000 54.710 0 371 HOH AAA O   1 ? 
HETATM 1451 O O   . HOH C 3 .   ? 1.600   1.600   -0.000 0.500 15.085 0 372 HOH AAA O   1 ? 
HETATM 1452 O O   . HOH C 3 .   ? -3.235  17.074  5.490  1.000 38.222 0 373 HOH AAA O   1 ? 
HETATM 1453 O O   . HOH C 3 .   ? -8.569  18.150  23.343 1.000 16.432 0 374 HOH AAA O   1 ? 
HETATM 1454 O O   . HOH C 3 .   ? 18.550  10.697  7.030  1.000 35.098 0 375 HOH AAA O   1 ? 
HETATM 1455 O O   . HOH C 3 .   ? -2.265  1.770   3.139  1.000 19.288 0 376 HOH AAA O   1 ? 
HETATM 1456 O O   . HOH C 3 .   ? 10.459  -3.630  5.467  1.000 11.879 0 377 HOH AAA O   1 ? 
HETATM 1457 O O   . HOH C 3 .   ? -10.833 25.385  14.792 1.000 27.779 0 378 HOH AAA O   1 ? 
HETATM 1458 O O   . HOH C 3 .   ? -9.268  24.904  33.305 1.000 47.385 0 379 HOH AAA O   1 ? 
HETATM 1459 O O   . HOH C 3 .   ? 18.176  12.147  23.908 1.000 21.970 0 380 HOH AAA O   1 ? 
HETATM 1460 O O   . HOH C 3 .   ? -11.329 15.059  9.440  1.000 31.931 0 381 HOH AAA O   1 ? 
HETATM 1461 O O   . HOH C 3 .   ? 7.767   9.494   6.372  1.000 12.576 0 382 HOH AAA O   1 ? 
HETATM 1462 O O   . HOH C 3 .   ? -0.585  17.457  12.478 1.000 19.756 0 383 HOH AAA O   1 ? 
HETATM 1463 O O   . HOH C 3 .   ? -8.189  23.434  28.031 1.000 23.918 0 384 HOH AAA O   1 ? 
HETATM 1464 O O   . HOH C 3 .   ? -4.204  24.031  43.955 1.000 47.400 0 385 HOH AAA O   1 ? 
HETATM 1465 O O   . HOH C 3 .   ? -0.871  16.351  6.430  1.000 44.896 0 386 HOH AAA O   1 ? 
HETATM 1466 O O   . HOH C 3 .   ? 9.471   -0.330  2.117  1.000 12.411 0 387 HOH AAA O   1 ? 
HETATM 1467 O O   . HOH C 3 .   ? 0.919   -5.179  1.426  1.000 22.149 0 388 HOH AAA O   1 ? 
HETATM 1468 O O   . HOH C 3 .   ? -6.716  8.251   4.382  1.000 20.103 0 389 HOH AAA O   1 ? 
HETATM 1469 O O   . HOH C 3 .   ? -1.011  26.943  4.457  1.000 28.977 0 390 HOH AAA O   1 ? 
HETATM 1470 O O   . HOH C 3 .   ? 15.887  20.069  7.078  1.000 13.812 0 391 HOH AAA O   1 ? 
HETATM 1471 O O   . HOH C 3 .   ? -7.295  11.292  25.187 1.000 23.519 0 392 HOH AAA O   1 ? 
HETATM 1472 O O   . HOH C 3 .   ? -10.533 29.921  15.663 1.000 33.165 0 393 HOH AAA O   1 ? 
HETATM 1473 O O   . HOH C 3 .   ? -2.272  20.043  1.511  1.000 26.585 0 394 HOH AAA O   1 ? 
HETATM 1474 O O   . HOH C 3 .   ? -7.945  30.621  10.645 1.000 27.103 0 395 HOH AAA O   1 ? 
HETATM 1475 O O   . HOH C 3 .   ? 3.584   -4.012  15.040 1.000 27.383 0 396 HOH AAA O   1 ? 
HETATM 1476 O O   . HOH C 3 .   ? 12.210  2.844   14.555 1.000 20.289 0 397 HOH AAA O   1 ? 
HETATM 1477 O O   . HOH C 3 .   ? -8.138  18.353  43.217 1.000 53.278 0 398 HOH AAA O   1 ? 
HETATM 1478 O O   . HOH C 3 .   ? -8.250  -1.621  15.354 1.000 12.524 0 399 HOH AAA O   1 ? 
HETATM 1479 O O   . HOH C 3 .   ? 0.511   15.287  4.508  1.000 16.126 0 400 HOH AAA O   1 ? 
HETATM 1480 O O   . HOH C 3 .   ? -9.525  26.667  29.625 1.000 26.872 0 401 HOH AAA O   1 ? 
HETATM 1481 O O   . HOH C 3 .   ? 0.617   2.751   23.727 1.000 15.455 0 402 HOH AAA O   1 ? 
HETATM 1482 O O   . HOH C 3 .   ? 13.410  21.969  11.763 1.000 28.128 0 403 HOH AAA O   1 ? 
HETATM 1483 O O   . HOH C 3 .   ? 5.294   22.509  13.314 1.000 22.885 0 404 HOH AAA O   1 ? 
HETATM 1484 O O   . HOH C 3 .   ? 16.598  13.228  19.162 1.000 22.561 0 405 HOH AAA O   1 ? 
HETATM 1485 O O   . HOH C 3 .   ? 17.647  26.954  6.350  1.000 28.233 0 406 HOH AAA O   1 ? 
HETATM 1486 O O   . HOH C 3 .   ? 23.594  25.991  9.503  1.000 25.598 0 407 HOH AAA O   1 ? 
HETATM 1487 O O   . HOH C 3 .   ? 3.874   16.839  37.220 1.000 29.571 0 408 HOH AAA O   1 ? 
HETATM 1488 O O   . HOH C 3 .   ? -4.075  29.686  33.682 1.000 22.104 0 409 HOH AAA O   1 ? 
HETATM 1489 O O   . HOH C 3 .   ? 6.066   27.993  28.310 1.000 25.845 0 410 HOH AAA O   1 ? 
HETATM 1490 O O   . HOH C 3 .   ? 9.390   15.212  32.483 1.000 8.970  0 411 HOH AAA O   1 ? 
HETATM 1491 O O   . HOH C 3 .   ? -2.446  -4.061  11.309 1.000 24.842 0 412 HOH AAA O   1 ? 
HETATM 1492 O O   . HOH C 3 .   ? -1.172  21.854  9.030  1.000 22.263 0 413 HOH AAA O   1 ? 
HETATM 1493 O O   . HOH C 3 .   ? 14.849  12.110  21.195 1.000 15.079 0 414 HOH AAA O   1 ? 
HETATM 1494 O O   . HOH C 3 .   ? 7.558   28.910  31.564 1.000 13.713 0 415 HOH AAA O   1 ? 
HETATM 1495 O O   . HOH C 3 .   ? 1.933   14.859  33.996 1.000 33.337 0 416 HOH AAA O   1 ? 
HETATM 1496 O O   . HOH C 3 .   ? 9.131   19.071  33.569 1.000 36.982 0 417 HOH AAA O   1 ? 
HETATM 1497 O O   . HOH C 3 .   ? 15.720  17.500  6.687  1.000 14.121 0 418 HOH AAA O   1 ? 
HETATM 1498 O O   . HOH C 3 .   ? 22.662  10.201  17.149 1.000 20.214 0 419 HOH AAA O   1 ? 
HETATM 1499 O O   . HOH C 3 .   ? -6.190  33.490  17.060 1.000 19.559 0 420 HOH AAA O   1 ? 
HETATM 1500 O O   . HOH C 3 .   ? -10.766 17.137  8.375  1.000 38.622 0 421 HOH AAA O   1 ? 
HETATM 1501 O O   . HOH C 3 .   ? 5.561   3.307   21.906 1.000 21.965 0 422 HOH AAA O   1 ? 
HETATM 1502 O O   . HOH C 3 .   ? 12.681  23.096  6.592  1.000 27.144 0 423 HOH AAA O   1 ? 
HETATM 1503 O O   . HOH C 3 .   ? 11.394  20.357  0.630  1.000 35.229 0 424 HOH AAA O   1 ? 
HETATM 1504 O O   . HOH C 3 .   ? -7.829  2.106   26.510 1.000 37.130 0 425 HOH AAA O   1 ? 
HETATM 1505 O O   . HOH C 3 .   ? -2.913  1.100   26.630 1.000 32.476 0 426 HOH AAA O   1 ? 
HETATM 1506 O O   . HOH C 3 .   ? -11.883 10.262  9.824  1.000 38.691 0 427 HOH AAA O   1 ? 
HETATM 1507 O O   . HOH C 3 .   ? -0.543  5.545   26.456 1.000 25.826 0 428 HOH AAA O   1 ? 
HETATM 1508 O O   . HOH C 3 .   ? -9.367  -8.169  15.007 1.000 28.504 0 429 HOH AAA O   1 ? 
HETATM 1509 O O   . HOH C 3 .   ? -11.972 27.472  30.009 1.000 31.996 0 430 HOH AAA O   1 ? 
HETATM 1510 O O   . HOH C 3 .   ? 3.868   12.838  32.032 1.000 36.242 0 431 HOH AAA O   1 ? 
HETATM 1511 O O   . HOH C 3 .   ? -12.906 15.563  17.711 1.000 25.018 0 432 HOH AAA O   1 ? 
HETATM 1512 O O   . HOH C 3 .   ? -5.867  11.990  7.477  1.000 35.116 0 433 HOH AAA O   1 ? 
HETATM 1513 O O   . HOH C 3 .   ? -1.933  13.952  1.004  1.000 38.672 0 434 HOH AAA O   1 ? 
HETATM 1514 O O   . HOH C 3 .   ? -5.351  -11.428 16.629 1.000 30.370 0 435 HOH AAA O   1 ? 
HETATM 1515 O O   . HOH C 3 .   ? -1.585  -5.348  0.595  1.000 35.171 0 436 HOH AAA O   1 ? 
HETATM 1516 O O   . HOH C 3 .   ? -1.422  -8.041  8.764  1.000 41.295 0 437 HOH AAA O   1 ? 
HETATM 1517 O O   . HOH C 3 .   ? 5.887   5.785   28.875 1.000 37.491 0 438 HOH AAA O   1 ? 
HETATM 1518 O O   . HOH C 3 .   ? -10.491 16.867  23.705 1.000 55.036 0 439 HOH AAA O   1 ? 
HETATM 1519 O O   . HOH C 3 .   ? 4.009   5.890   32.668 1.000 46.745 0 440 HOH AAA O   1 ? 
HETATM 1520 O O   . HOH C 3 .   ? 17.173  8.658   34.881 1.000 60.310 0 441 HOH AAA O   1 ? 
HETATM 1521 O O   . HOH C 3 .   ? 16.785  5.894   32.406 1.000 40.920 0 442 HOH AAA O   1 ? 
HETATM 1522 O O   . HOH C 3 .   ? -6.775  20.429  7.217  1.000 35.127 0 443 HOH AAA O   1 ? 
HETATM 1523 O O   . HOH C 3 .   ? -9.929  20.413  8.940  1.000 29.942 0 444 HOH AAA O   1 ? 
HETATM 1524 O O   . HOH C 3 .   ? 21.839  5.657   20.522 1.000 23.168 0 445 HOH AAA O   1 ? 
HETATM 1525 O O   . HOH C 3 .   ? 10.523  24.510  2.690  1.000 29.076 0 446 HOH AAA O   1 ? 
HETATM 1526 O O   . HOH C 3 .   ? 2.183   7.414   33.119 1.000 48.752 0 447 HOH AAA O   1 ? 
HETATM 1527 O O   . HOH C 3 .   ? 17.902  10.996  12.213 1.000 22.782 0 448 HOH AAA O   1 ? 
HETATM 1528 O O   . HOH C 3 .   ? 2.213   -3.393  -0.019 1.000 42.633 0 449 HOH AAA O   1 ? 
HETATM 1529 O O   . HOH C 3 .   ? 1.508   34.474  29.612 1.000 37.232 0 450 HOH AAA O   1 ? 
HETATM 1530 O O   . HOH C 3 .   ? 5.220   19.077  37.342 1.000 42.400 0 451 HOH AAA O   1 ? 
HETATM 1531 O O   . HOH C 3 .   ? 17.643  15.068  10.193 1.000 27.192 0 452 HOH AAA O   1 ? 
HETATM 1532 O O   . HOH C 3 .   ? 0.538   28.999  10.561 1.000 46.308 0 453 HOH AAA O   1 ? 
HETATM 1533 O O   . HOH C 3 .   ? -0.879  15.932  2.704  1.000 44.465 0 454 HOH AAA O   1 ? 
HETATM 1534 O O   . HOH C 3 .   ? 3.177   14.665  37.553 1.000 77.951 0 455 HOH AAA O   1 ? 
HETATM 1535 O O   . HOH C 3 .   ? 18.946  13.496  12.116 1.000 21.453 0 456 HOH AAA O   1 ? 
HETATM 1536 O O   . HOH C 3 .   ? 6.837   13.959  33.781 1.000 30.157 0 457 HOH AAA O   1 ? 
HETATM 1537 O O   . HOH C 3 .   ? -7.117  10.001  6.964  1.000 28.922 0 458 HOH AAA O   1 ? 
HETATM 1538 O O   . HOH C 3 .   ? -2.103  19.107  8.867  1.000 23.277 0 459 HOH AAA O   1 ? 
HETATM 1539 O O   . HOH C 3 .   ? 15.490  -0.258  11.852 1.000 20.181 0 460 HOH AAA O   1 ? 
HETATM 1540 O O   . HOH C 3 .   ? 0.761   9.945   32.543 1.000 26.287 0 461 HOH AAA O   1 ? 
HETATM 1541 O O   . HOH C 3 .   ? 0.994   21.094  7.673  1.000 25.340 0 462 HOH AAA O   1 ? 
HETATM 1542 O O   . HOH C 3 .   ? -10.591 36.195  32.539 1.000 31.408 0 463 HOH AAA O   1 ? 
HETATM 1543 O O   . HOH C 3 .   ? 14.211  0.616   2.130  1.000 33.576 0 464 HOH AAA O   1 ? 
HETATM 1544 O O   . HOH C 3 .   ? -5.312  11.239  3.313  1.000 25.450 0 465 HOH AAA O   1 ? 
HETATM 1545 O O   . HOH C 3 .   ? -8.959  4.229   27.242 1.000 34.694 0 466 HOH AAA O   1 ? 
HETATM 1546 O O   . HOH C 3 .   ? -7.034  22.015  4.867  1.000 33.603 0 467 HOH AAA O   1 ? 
HETATM 1547 O O   . HOH C 3 .   ? -10.513 31.011  11.986 1.000 45.692 0 468 HOH AAA O   1 ? 
HETATM 1548 O O   . HOH C 3 .   ? 2.356   12.450  33.625 1.000 28.408 0 469 HOH AAA O   1 ? 
HETATM 1549 O O   . HOH C 3 .   ? -9.018  22.373  6.452  1.000 58.464 0 470 HOH AAA O   1 ? 
HETATM 1550 O O   . HOH C 3 .   ? -14.138 25.386  30.934 1.000 37.029 0 471 HOH AAA O   1 ? 
# 
