data_9GLI
# 
_entry.id   9GLI 
# 
_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   9GLI         pdb_00009gli 10.2210/pdb9gli/pdb 
WWPDB D_1292141244 ?            ?                   
# 
_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                        9GLI 
_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 0000-0002-4219-550X 
# 
_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' 19642.582 1   ? ? ? 
'Threonine at 106th position mutated to Cysteine' 
2 non-polymer syn GLYCEROL                                       92.094    2   ? ? ? ? 
3 water       nat water                                          18.015    169 ? ? ? ? 
# 
_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
EFDIEFDIPITYPTTAPEIAVPELDGKCAKMYRGGKICLTDHFKPLWARNVPKFGLAHLMALGLGPWLAVEIPDLIQKGV
IHHKEKCNQ
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GSMADEATRRVVSEIPVLKTNAGPRDRELWVQRLKEEYQSLIRYVENNKNADNDWFRLESNKEGTRWFGKCWYIHDLLKY
EFDIEFDIPITYPTTAPEIAVPELDGKCAKMYRGGKICLTDHFKPLWARNVPKFGLAHLMALGLGPWLAVEIPDLIQKGV
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 GLYCEROL GOL 
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 CYS 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 GLU 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  
GOL non-polymer         . GLYCEROL        'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3'       92.094  
HIS 'L-peptide linking' y HISTIDINE       ?                               'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER           ?                               'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE      ?                               'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE         ?                               'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE          ?                               'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE      ?                               'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE   ?                               'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE         ?                               'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE          ?                               'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE       ?                               'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN      ?                               'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE        ?                               'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE          ?                               'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   GLY 1   -1  ?   ?   ?   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 CYS 108 106 106 CYS CYS 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 GLU 151 149 149 GLU GLU 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 GOL 1   201 201 GOL GOL AAA . 
C 2 GOL 1   202 203 GOL GOL AAA . 
D 3 HOH 1   301 155 HOH HOH AAA . 
D 3 HOH 2   302 94  HOH HOH AAA . 
D 3 HOH 3   303 153 HOH HOH AAA . 
D 3 HOH 4   304 11  HOH HOH AAA . 
D 3 HOH 5   305 127 HOH HOH AAA . 
D 3 HOH 6   306 68  HOH HOH AAA . 
D 3 HOH 7   307 157 HOH HOH AAA . 
D 3 HOH 8   308 165 HOH HOH AAA . 
D 3 HOH 9   309 160 HOH HOH AAA . 
D 3 HOH 10  310 71  HOH HOH AAA . 
D 3 HOH 11  311 104 HOH HOH AAA . 
D 3 HOH 12  312 96  HOH HOH AAA . 
D 3 HOH 13  313 162 HOH HOH AAA . 
D 3 HOH 14  314 63  HOH HOH AAA . 
D 3 HOH 15  315 164 HOH HOH AAA . 
D 3 HOH 16  316 134 HOH HOH AAA . 
D 3 HOH 17  317 148 HOH HOH AAA . 
D 3 HOH 18  318 99  HOH HOH AAA . 
D 3 HOH 19  319 169 HOH HOH AAA . 
D 3 HOH 20  320 126 HOH HOH AAA . 
D 3 HOH 21  321 108 HOH HOH AAA . 
D 3 HOH 22  322 65  HOH HOH AAA . 
D 3 HOH 23  323 25  HOH HOH AAA . 
D 3 HOH 24  324 48  HOH HOH AAA . 
D 3 HOH 25  325 72  HOH HOH AAA . 
D 3 HOH 26  326 70  HOH HOH AAA . 
D 3 HOH 27  327 114 HOH HOH AAA . 
D 3 HOH 28  328 121 HOH HOH AAA . 
D 3 HOH 29  329 92  HOH HOH AAA . 
D 3 HOH 30  330 159 HOH HOH AAA . 
D 3 HOH 31  331 58  HOH HOH AAA . 
D 3 HOH 32  332 102 HOH HOH AAA . 
D 3 HOH 33  333 138 HOH HOH AAA . 
D 3 HOH 34  334 60  HOH HOH AAA . 
D 3 HOH 35  335 79  HOH HOH AAA . 
D 3 HOH 36  336 62  HOH HOH AAA . 
D 3 HOH 37  337 111 HOH HOH AAA . 
D 3 HOH 38  338 129 HOH HOH AAA . 
D 3 HOH 39  339 19  HOH HOH AAA . 
D 3 HOH 40  340 69  HOH HOH AAA . 
D 3 HOH 41  341 132 HOH HOH AAA . 
D 3 HOH 42  342 124 HOH HOH AAA . 
D 3 HOH 43  343 36  HOH HOH AAA . 
D 3 HOH 44  344 5   HOH HOH AAA . 
D 3 HOH 45  345 24  HOH HOH AAA . 
D 3 HOH 46  346 3   HOH HOH AAA . 
D 3 HOH 47  347 6   HOH HOH AAA . 
D 3 HOH 48  348 67  HOH HOH AAA . 
D 3 HOH 49  349 82  HOH HOH AAA . 
D 3 HOH 50  350 40  HOH HOH AAA . 
D 3 HOH 51  351 74  HOH HOH AAA . 
D 3 HOH 52  352 37  HOH HOH AAA . 
D 3 HOH 53  353 136 HOH HOH AAA . 
D 3 HOH 54  354 14  HOH HOH AAA . 
D 3 HOH 55  355 9   HOH HOH AAA . 
D 3 HOH 56  356 137 HOH HOH AAA . 
D 3 HOH 57  357 75  HOH HOH AAA . 
D 3 HOH 58  358 28  HOH HOH AAA . 
D 3 HOH 59  359 16  HOH HOH AAA . 
D 3 HOH 60  360 41  HOH HOH AAA . 
D 3 HOH 61  361 125 HOH HOH AAA . 
D 3 HOH 62  362 83  HOH HOH AAA . 
D 3 HOH 63  363 8   HOH HOH AAA . 
D 3 HOH 64  364 171 HOH HOH AAA . 
D 3 HOH 65  365 13  HOH HOH AAA . 
D 3 HOH 66  366 46  HOH HOH AAA . 
D 3 HOH 67  367 90  HOH HOH AAA . 
D 3 HOH 68  368 26  HOH HOH AAA . 
D 3 HOH 69  369 21  HOH HOH AAA . 
D 3 HOH 70  370 23  HOH HOH AAA . 
D 3 HOH 71  371 43  HOH HOH AAA . 
D 3 HOH 72  372 52  HOH HOH AAA . 
D 3 HOH 73  373 172 HOH HOH AAA . 
D 3 HOH 74  374 122 HOH HOH AAA . 
D 3 HOH 75  375 89  HOH HOH AAA . 
D 3 HOH 76  376 131 HOH HOH AAA . 
D 3 HOH 77  377 105 HOH HOH AAA . 
D 3 HOH 78  378 44  HOH HOH AAA . 
D 3 HOH 79  379 59  HOH HOH AAA . 
D 3 HOH 80  380 107 HOH HOH AAA . 
D 3 HOH 81  381 15  HOH HOH AAA . 
D 3 HOH 82  382 95  HOH HOH AAA . 
D 3 HOH 83  383 76  HOH HOH AAA . 
D 3 HOH 84  384 32  HOH HOH AAA . 
D 3 HOH 85  385 17  HOH HOH AAA . 
D 3 HOH 86  386 98  HOH HOH AAA . 
D 3 HOH 87  387 12  HOH HOH AAA . 
D 3 HOH 88  388 4   HOH HOH AAA . 
D 3 HOH 89  389 27  HOH HOH AAA . 
D 3 HOH 90  390 45  HOH HOH AAA . 
D 3 HOH 91  391 56  HOH HOH AAA . 
D 3 HOH 92  392 34  HOH HOH AAA . 
D 3 HOH 93  393 113 HOH HOH AAA . 
D 3 HOH 94  394 1   HOH HOH AAA . 
D 3 HOH 95  395 80  HOH HOH AAA . 
D 3 HOH 96  396 50  HOH HOH AAA . 
D 3 HOH 97  397 39  HOH HOH AAA . 
D 3 HOH 98  398 73  HOH HOH AAA . 
D 3 HOH 99  399 18  HOH HOH AAA . 
D 3 HOH 100 400 86  HOH HOH AAA . 
D 3 HOH 101 401 84  HOH HOH AAA . 
D 3 HOH 102 402 54  HOH HOH AAA . 
D 3 HOH 103 403 106 HOH HOH AAA . 
D 3 HOH 104 404 88  HOH HOH AAA . 
D 3 HOH 105 405 33  HOH HOH AAA . 
D 3 HOH 106 406 123 HOH HOH AAA . 
D 3 HOH 107 407 110 HOH HOH AAA . 
D 3 HOH 108 408 156 HOH HOH AAA . 
D 3 HOH 109 409 77  HOH HOH AAA . 
D 3 HOH 110 410 87  HOH HOH AAA . 
D 3 HOH 111 411 64  HOH HOH AAA . 
D 3 HOH 112 412 10  HOH HOH AAA . 
D 3 HOH 113 413 101 HOH HOH AAA . 
D 3 HOH 114 414 31  HOH HOH AAA . 
D 3 HOH 115 415 81  HOH HOH AAA . 
D 3 HOH 116 416 53  HOH HOH AAA . 
D 3 HOH 117 417 7   HOH HOH AAA . 
D 3 HOH 118 418 35  HOH HOH AAA . 
D 3 HOH 119 419 20  HOH HOH AAA . 
D 3 HOH 120 420 112 HOH HOH AAA . 
D 3 HOH 121 421 22  HOH HOH AAA . 
D 3 HOH 122 422 29  HOH HOH AAA . 
D 3 HOH 123 423 49  HOH HOH AAA . 
D 3 HOH 124 424 97  HOH HOH AAA . 
D 3 HOH 125 425 103 HOH HOH AAA . 
D 3 HOH 126 426 93  HOH HOH AAA . 
D 3 HOH 127 427 133 HOH HOH AAA . 
D 3 HOH 128 428 78  HOH HOH AAA . 
D 3 HOH 129 429 135 HOH HOH AAA . 
D 3 HOH 130 430 42  HOH HOH AAA . 
D 3 HOH 131 431 55  HOH HOH AAA . 
D 3 HOH 132 432 118 HOH HOH AAA . 
D 3 HOH 133 433 66  HOH HOH AAA . 
D 3 HOH 134 434 30  HOH HOH AAA . 
D 3 HOH 135 435 2   HOH HOH AAA . 
D 3 HOH 136 436 51  HOH HOH AAA . 
D 3 HOH 137 437 140 HOH HOH AAA . 
D 3 HOH 138 438 38  HOH HOH AAA . 
D 3 HOH 139 439 147 HOH HOH AAA . 
D 3 HOH 140 440 130 HOH HOH AAA . 
D 3 HOH 141 441 57  HOH HOH AAA . 
D 3 HOH 142 442 100 HOH HOH AAA . 
D 3 HOH 143 443 142 HOH HOH AAA . 
D 3 HOH 144 444 109 HOH HOH AAA . 
D 3 HOH 145 445 115 HOH HOH AAA . 
D 3 HOH 146 446 61  HOH HOH AAA . 
D 3 HOH 147 447 174 HOH HOH AAA . 
D 3 HOH 148 448 119 HOH HOH AAA . 
D 3 HOH 149 449 176 HOH HOH AAA . 
D 3 HOH 150 450 139 HOH HOH AAA . 
D 3 HOH 151 451 178 HOH HOH AAA . 
D 3 HOH 152 452 151 HOH HOH AAA . 
D 3 HOH 153 453 179 HOH HOH AAA . 
D 3 HOH 154 454 47  HOH HOH AAA . 
D 3 HOH 155 455 175 HOH HOH AAA . 
D 3 HOH 156 456 170 HOH HOH AAA . 
D 3 HOH 157 457 116 HOH HOH AAA . 
D 3 HOH 158 458 85  HOH HOH AAA . 
D 3 HOH 159 459 141 HOH HOH AAA . 
D 3 HOH 160 460 117 HOH HOH AAA . 
D 3 HOH 161 461 173 HOH HOH AAA . 
D 3 HOH 162 462 91  HOH HOH AAA . 
D 3 HOH 163 463 145 HOH HOH AAA . 
D 3 HOH 164 464 128 HOH HOH AAA . 
D 3 HOH 165 465 149 HOH HOH AAA . 
D 3 HOH 166 466 120 HOH HOH AAA . 
D 3 HOH 167 467 168 HOH HOH AAA . 
D 3 HOH 168 468 177 HOH HOH AAA . 
D 3 HOH 169 469 154 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 25 ? NE  ? A ARG 27 NE  
2 1 Y 1 AAA ARG 25 ? CZ  ? A ARG 27 CZ  
3 1 Y 1 AAA ARG 25 ? NH1 ? A ARG 27 NH1 
4 1 Y 1 AAA ARG 25 ? NH2 ? A ARG 27 NH2 
# 
_software.citation_id            ? 
_software.classification         refinement 
_software.compiler_name          ? 
_software.compiler_version       ? 
_software.contact_author         ? 
_software.contact_author_email   ? 
_software.date                   ? 
_software.description            ? 
_software.dependencies           ? 
_software.hardware               ? 
_software.language               ? 
_software.location               ? 
_software.mods                   ? 
_software.name                   REFMAC 
_software.os                     ? 
_software.os_version             ? 
_software.type                   ? 
_software.version                5.8.0267 
_software.pdbx_ordinal           1 
# 
_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                     9GLI 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     47.014 
_cell.length_a_esd                 ? 
_cell.length_b                     47.014 
_cell.length_b_esd                 ? 
_cell.length_c                     142.729 
_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                         9GLI 
_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                   9GLI 
_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             2.01 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          38.73 
_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              7.0 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '1M Ammonium Citrate tribasic pH 7.0, 0.1M Bis-Tris Propane pH 7.0.' 
_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 EIGER2 XE 16M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-03-25 
_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   1.34767 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'DIAMOND BEAMLINE I03' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.34767 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   I03 
_diffrn_source.pdbx_synchrotron_site       Diamond 
# 
_reflns.B_iso_Wilson_estimate                          15.12 
_reflns.entry_id                                       9GLI 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.426 
_reflns.d_resolution_low                               44.654 
_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                                     29760 
_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                           96.5 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                21.3 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          12.1 
_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                                0.02949 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.426 
_reflns_shell.d_res_low                                     1.451 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           0.7 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1017 
_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                               5.0 
_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                               0.8167 
_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                                  0.333 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          68.6 
_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]                            -0.333 
_refine.aniso_B[1][2]                            0.000 
_refine.aniso_B[1][3]                            0.000 
_refine.aniso_B[2][2]                            -0.333 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            0.667 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               16.107 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.966 
_refine.correlation_coeff_Fo_to_Fc_free          0.956 
_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                                 9GLI 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.426 
_refine.ls_d_res_low                             44.654 
_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                     29636 
_refine.ls_number_reflns_R_free                  1403 
_refine.ls_number_reflns_R_work                  28233 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    96.055 
_refine.ls_percent_reflns_R_free                 4.734 
_refine.ls_R_factor_all                          0.176 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2080 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1745 
_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                       0.068 
_refine.pdbx_overall_ESU_R_Free                  0.071 
_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                             1.312 
_refine.overall_SU_ML                            0.049 
_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        1358 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         12 
_refine_hist.number_atoms_solvent             169 
_refine_hist.number_atoms_total               1539 
_refine_hist.d_res_high                       1.426 
_refine_hist.d_res_low                        44.654 
# 
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' ? 0.012  0.013  1406 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.015  1336 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.837  1.645  1902 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 1.510  1.585  3086 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 6.577  5.000  165  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 31.905 22.133 75   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 12.689 15.000 244  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 14.019 15.000 9    ? r_dihedral_angle_4_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.101  0.200  174  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.012  0.020  1546 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  320  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.216  0.200  275  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.186  0.200  1217 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.178  0.200  688  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.084  0.200  612  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.126  0.200  102  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.301  0.200  24   ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.192  0.200  61   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.197  0.200  31   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 1.501  1.417  663  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.385  1.417  662  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.124  2.123  827  ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 2.153  2.126  828  ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 2.602  1.713  743  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.600  1.714  744  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 3.895  2.437  1075 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.893  2.438  1076 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 5.061  17.666 1638 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 4.853  17.124 1609 ? 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' 1.426 1.463  2210 . 73  1398 66.5611  . 0.348 . . 0.348 . . . . . 0.347 . 20 . 0.585 0.550 0.358 
'X-RAY DIFFRACTION' 1.463 1.503  2184 . 92  1770 85.2564  . 0.306 . . 0.305 . . . . . 0.302 . 20 . 0.759 0.765 0.322 
'X-RAY DIFFRACTION' 1.503 1.547  2117 . 109 1863 93.1507  . 0.254 . . 0.250 . . . . . 0.244 . 20 . 0.860 0.845 0.318 
'X-RAY DIFFRACTION' 1.547 1.594  2045 . 82  1952 99.4621  . 0.204 . . 0.202 . . . . . 0.190 . 20 . 0.916 0.890 0.269 
'X-RAY DIFFRACTION' 1.594 1.646  1988 . 83  1905 100.0000 . 0.182 . . 0.181 . . . . . 0.164 . 20 . 0.944 0.934 0.202 
'X-RAY DIFFRACTION' 1.646 1.704  1950 . 111 1839 100.0000 . 0.166 . . 0.165 . . . . . 0.149 . 20 . 0.954 0.954 0.184 
'X-RAY DIFFRACTION' 1.704 1.768  1874 . 87  1787 100.0000 . 0.156 . . 0.154 . . . . . 0.136 . 20 . 0.962 0.953 0.203 
'X-RAY DIFFRACTION' 1.768 1.840  1814 . 97  1717 100.0000 . 0.160 . . 0.158 . . . . . 0.141 . 20 . 0.960 0.954 0.198 
'X-RAY DIFFRACTION' 1.840 1.922  1727 . 89  1638 100.0000 . 0.154 . . 0.151 . . . . . 0.138 . 20 . 0.962 0.956 0.194 
'X-RAY DIFFRACTION' 1.922 2.016  1676 . 67  1609 100.0000 . 0.162 . . 0.159 . . . . . 0.145 . 20 . 0.959 0.944 0.233 
'X-RAY DIFFRACTION' 2.016 2.124  1584 . 67  1517 100.0000 . 0.159 . . 0.158 . . . . . 0.148 . 20 . 0.964 0.958 0.185 
'X-RAY DIFFRACTION' 2.124 2.253  1518 . 60  1458 100.0000 . 0.143 . . 0.141 . . . . . 0.135 . 20 . 0.970 0.961 0.197 
'X-RAY DIFFRACTION' 2.253 2.408  1422 . 70  1352 100.0000 . 0.161 . . 0.160 . . . . . 0.157 . 20 . 0.966 0.963 0.177 
'X-RAY DIFFRACTION' 2.408 2.600  1341 . 50  1291 100.0000 . 0.166 . . 0.164 . . . . . 0.165 . 20 . 0.959 0.946 0.222 
'X-RAY DIFFRACTION' 2.600 2.848  1239 . 61  1178 100.0000 . 0.176 . . 0.172 . . . . . 0.178 . 20 . 0.957 0.937 0.243 
'X-RAY DIFFRACTION' 2.848 3.182  1132 . 59  1073 100.0000 . 0.177 . . 0.177 . . . . . 0.189 . 20 . 0.957 0.960 0.174 
'X-RAY DIFFRACTION' 3.182 3.671  1018 . 43  975  100.0000 . 0.165 . . 0.163 . . . . . 0.185 . 20 . 0.964 0.957 0.207 
'X-RAY DIFFRACTION' 3.671 4.489  865  . 39  826  100.0000 . 0.149 . . 0.147 . . . . . 0.180 . 20 . 0.975 0.965 0.201 
'X-RAY DIFFRACTION' 4.489 6.317  704  . 39  665  100.0000 . 0.200 . . 0.202 . . . . . 0.251 . 20 . 0.968 0.977 0.172 
'X-RAY DIFFRACTION' 6.317 44.654 445  . 25  420  100.0000 . 0.218 . . 0.218 . . . . . 0.283 . 20 . 0.956 0.962 0.215 
# 
_struct.entry_id                     9GLI 
_struct.title                        'Crystal Structure of UFC1 T106C' 
_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        9GLI 
_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 2 ? 
D 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              9GLI 
_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 9GLI GLY AAA 1   ? UNP Q9Y3C8 ?   ?   'expression tag'      -1  1 
1 9GLI SER AAA 2   ? UNP Q9Y3C8 ?   ?   'expression tag'      0   2 
1 9GLI CYS AAA 108 ? UNP Q9Y3C8 THR 106 'engineered mutation' 106 3 
1 9GLI 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,D 
# 
_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 ARG A 27  ? ALA A 51  ? ARG AAA 25  ALA AAA 49  1 ? 25 
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 ? ARG A 129 ? HIS AAA 120 ARG AAA 127 1 ? 8  
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   ? 
# 
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 4.12  
2 VAL 131 A . ? VAL 129 AAA PRO 132 A ? PRO 130 AAA 1 -1.95 
# 
_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 TRP A 67 ? N TRP AAA 65 O PHE A 86 ? O PHE AAA 84 
# 
_pdbx_entry_details.entry_id                   9GLI 
_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   N 
# 
loop_
_pdbx_validate_symm_contact.id 
_pdbx_validate_symm_contact.PDB_model_num 
_pdbx_validate_symm_contact.auth_atom_id_1 
_pdbx_validate_symm_contact.auth_asym_id_1 
_pdbx_validate_symm_contact.auth_comp_id_1 
_pdbx_validate_symm_contact.auth_seq_id_1 
_pdbx_validate_symm_contact.PDB_ins_code_1 
_pdbx_validate_symm_contact.label_alt_id_1 
_pdbx_validate_symm_contact.site_symmetry_1 
_pdbx_validate_symm_contact.auth_atom_id_2 
_pdbx_validate_symm_contact.auth_asym_id_2 
_pdbx_validate_symm_contact.auth_comp_id_2 
_pdbx_validate_symm_contact.auth_seq_id_2 
_pdbx_validate_symm_contact.PDB_ins_code_2 
_pdbx_validate_symm_contact.label_alt_id_2 
_pdbx_validate_symm_contact.site_symmetry_2 
_pdbx_validate_symm_contact.dist 
1 1 O  AAA HOH 420 ? ? 1_555 O AAA HOH 420 ? ? 7_555 1.29 
2 1 SG AAA CYS 116 ? ? 1_555 O AAA CYS 165 ? ? 4_454 2.19 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ARG AAA 25  ? ? 57.95  -126.61 
2 1 LEU AAA 75  ? ? 75.00  -9.17   
3 1 LYS AAA 108 ? ? -91.72 54.51   
# 
_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     320 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   D 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
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 GLY -1  ? A GLY 1   
2 1 Y 1 AAA ASN 166 ? A ASN 168 
3 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 
GOL C1   C N N 137 
GOL O1   O N N 138 
GOL C2   C N N 139 
GOL O2   O N N 140 
GOL C3   C N N 141 
GOL O3   O N N 142 
GOL H11  H N N 143 
GOL H12  H N N 144 
GOL HO1  H N N 145 
GOL H2   H N N 146 
GOL HO2  H N N 147 
GOL H31  H N N 148 
GOL H32  H N N 149 
GOL HO3  H N N 150 
HIS N    N N N 151 
HIS CA   C N S 152 
HIS C    C N N 153 
HIS O    O N N 154 
HIS CB   C N N 155 
HIS CG   C Y N 156 
HIS ND1  N Y N 157 
HIS CD2  C Y N 158 
HIS CE1  C Y N 159 
HIS NE2  N Y N 160 
HIS OXT  O N N 161 
HIS H    H N N 162 
HIS H2   H N N 163 
HIS HA   H N N 164 
HIS HB2  H N N 165 
HIS HB3  H N N 166 
HIS HD1  H N N 167 
HIS HD2  H N N 168 
HIS HE1  H N N 169 
HIS HE2  H N N 170 
HIS HXT  H N N 171 
HOH O    O N N 172 
HOH H1   H N N 173 
HOH H2   H N N 174 
ILE N    N N N 175 
ILE CA   C N S 176 
ILE C    C N N 177 
ILE O    O N N 178 
ILE CB   C N S 179 
ILE CG1  C N N 180 
ILE CG2  C N N 181 
ILE CD1  C N N 182 
ILE OXT  O N N 183 
ILE H    H N N 184 
ILE H2   H N N 185 
ILE HA   H N N 186 
ILE HB   H N N 187 
ILE HG12 H N N 188 
ILE HG13 H N N 189 
ILE HG21 H N N 190 
ILE HG22 H N N 191 
ILE HG23 H N N 192 
ILE HD11 H N N 193 
ILE HD12 H N N 194 
ILE HD13 H N N 195 
ILE HXT  H N N 196 
LEU N    N N N 197 
LEU CA   C N S 198 
LEU C    C N N 199 
LEU O    O N N 200 
LEU CB   C N N 201 
LEU CG   C N N 202 
LEU CD1  C N N 203 
LEU CD2  C N N 204 
LEU OXT  O N N 205 
LEU H    H N N 206 
LEU H2   H N N 207 
LEU HA   H N N 208 
LEU HB2  H N N 209 
LEU HB3  H N N 210 
LEU HG   H N N 211 
LEU HD11 H N N 212 
LEU HD12 H N N 213 
LEU HD13 H N N 214 
LEU HD21 H N N 215 
LEU HD22 H N N 216 
LEU HD23 H N N 217 
LEU HXT  H N N 218 
LYS N    N N N 219 
LYS CA   C N S 220 
LYS C    C N N 221 
LYS O    O N N 222 
LYS CB   C N N 223 
LYS CG   C N N 224 
LYS CD   C N N 225 
LYS CE   C N N 226 
LYS NZ   N N N 227 
LYS OXT  O N N 228 
LYS H    H N N 229 
LYS H2   H N N 230 
LYS HA   H N N 231 
LYS HB2  H N N 232 
LYS HB3  H N N 233 
LYS HG2  H N N 234 
LYS HG3  H N N 235 
LYS HD2  H N N 236 
LYS HD3  H N N 237 
LYS HE2  H N N 238 
LYS HE3  H N N 239 
LYS HZ1  H N N 240 
LYS HZ2  H N N 241 
LYS HZ3  H N N 242 
LYS HXT  H N N 243 
MET N    N N N 244 
MET CA   C N S 245 
MET C    C N N 246 
MET O    O N N 247 
MET CB   C N N 248 
MET CG   C N N 249 
MET SD   S N N 250 
MET CE   C N N 251 
MET OXT  O N N 252 
MET H    H N N 253 
MET H2   H N N 254 
MET HA   H N N 255 
MET HB2  H N N 256 
MET HB3  H N N 257 
MET HG2  H N N 258 
MET HG3  H N N 259 
MET HE1  H N N 260 
MET HE2  H N N 261 
MET HE3  H N N 262 
MET HXT  H N N 263 
PHE N    N N N 264 
PHE CA   C N S 265 
PHE C    C N N 266 
PHE O    O N N 267 
PHE CB   C N N 268 
PHE CG   C Y N 269 
PHE CD1  C Y N 270 
PHE CD2  C Y N 271 
PHE CE1  C Y N 272 
PHE CE2  C Y N 273 
PHE CZ   C Y N 274 
PHE OXT  O N N 275 
PHE H    H N N 276 
PHE H2   H N N 277 
PHE HA   H N N 278 
PHE HB2  H N N 279 
PHE HB3  H N N 280 
PHE HD1  H N N 281 
PHE HD2  H N N 282 
PHE HE1  H N N 283 
PHE HE2  H N N 284 
PHE HZ   H N N 285 
PHE HXT  H N N 286 
PRO N    N N N 287 
PRO CA   C N S 288 
PRO C    C N N 289 
PRO O    O N N 290 
PRO CB   C N N 291 
PRO CG   C N N 292 
PRO CD   C N N 293 
PRO OXT  O N N 294 
PRO H    H N N 295 
PRO HA   H N N 296 
PRO HB2  H N N 297 
PRO HB3  H N N 298 
PRO HG2  H N N 299 
PRO HG3  H N N 300 
PRO HD2  H N N 301 
PRO HD3  H N N 302 
PRO HXT  H N N 303 
SER N    N N N 304 
SER CA   C N S 305 
SER C    C N N 306 
SER O    O N N 307 
SER CB   C N N 308 
SER OG   O N N 309 
SER OXT  O N N 310 
SER H    H N N 311 
SER H2   H N N 312 
SER HA   H N N 313 
SER HB2  H N N 314 
SER HB3  H N N 315 
SER HG   H N N 316 
SER HXT  H N N 317 
THR N    N N N 318 
THR CA   C N S 319 
THR C    C N N 320 
THR O    O N N 321 
THR CB   C N R 322 
THR OG1  O N N 323 
THR CG2  C N N 324 
THR OXT  O N N 325 
THR H    H N N 326 
THR H2   H N N 327 
THR HA   H N N 328 
THR HB   H N N 329 
THR HG1  H N N 330 
THR HG21 H N N 331 
THR HG22 H N N 332 
THR HG23 H N N 333 
THR HXT  H N N 334 
TRP N    N N N 335 
TRP CA   C N S 336 
TRP C    C N N 337 
TRP O    O N N 338 
TRP CB   C N N 339 
TRP CG   C Y N 340 
TRP CD1  C Y N 341 
TRP CD2  C Y N 342 
TRP NE1  N Y N 343 
TRP CE2  C Y N 344 
TRP CE3  C Y N 345 
TRP CZ2  C Y N 346 
TRP CZ3  C Y N 347 
TRP CH2  C Y N 348 
TRP OXT  O N N 349 
TRP H    H N N 350 
TRP H2   H N N 351 
TRP HA   H N N 352 
TRP HB2  H N N 353 
TRP HB3  H N N 354 
TRP HD1  H N N 355 
TRP HE1  H N N 356 
TRP HE3  H N N 357 
TRP HZ2  H N N 358 
TRP HZ3  H N N 359 
TRP HH2  H N N 360 
TRP HXT  H N N 361 
TYR N    N N N 362 
TYR CA   C N S 363 
TYR C    C N N 364 
TYR O    O N N 365 
TYR CB   C N N 366 
TYR CG   C Y N 367 
TYR CD1  C Y N 368 
TYR CD2  C Y N 369 
TYR CE1  C Y N 370 
TYR CE2  C Y N 371 
TYR CZ   C Y N 372 
TYR OH   O N N 373 
TYR OXT  O N N 374 
TYR H    H N N 375 
TYR H2   H N N 376 
TYR HA   H N N 377 
TYR HB2  H N N 378 
TYR HB3  H N N 379 
TYR HD1  H N N 380 
TYR HD2  H N N 381 
TYR HE1  H N N 382 
TYR HE2  H N N 383 
TYR HH   H N N 384 
TYR HXT  H N N 385 
VAL N    N N N 386 
VAL CA   C N S 387 
VAL C    C N N 388 
VAL O    O N N 389 
VAL CB   C N N 390 
VAL CG1  C N N 391 
VAL CG2  C N N 392 
VAL OXT  O N N 393 
VAL H    H N N 394 
VAL H2   H N N 395 
VAL HA   H N N 396 
VAL HB   H N N 397 
VAL HG11 H N N 398 
VAL HG12 H N N 399 
VAL HG13 H N N 400 
VAL HG21 H N N 401 
VAL HG22 H N N 402 
VAL HG23 H N N 403 
VAL HXT  H N N 404 
# 
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 
GOL C1  O1   sing N N 129 
GOL C1  C2   sing N N 130 
GOL C1  H11  sing N N 131 
GOL C1  H12  sing N N 132 
GOL O1  HO1  sing N N 133 
GOL C2  O2   sing N N 134 
GOL C2  C3   sing N N 135 
GOL C2  H2   sing N N 136 
GOL O2  HO2  sing N N 137 
GOL C3  O3   sing N N 138 
GOL C3  H31  sing N N 139 
GOL C3  H32  sing N N 140 
GOL O3  HO3  sing N N 141 
HIS N   CA   sing N N 142 
HIS N   H    sing N N 143 
HIS N   H2   sing N N 144 
HIS CA  C    sing N N 145 
HIS CA  CB   sing N N 146 
HIS CA  HA   sing N N 147 
HIS C   O    doub N N 148 
HIS C   OXT  sing N N 149 
HIS CB  CG   sing N N 150 
HIS CB  HB2  sing N N 151 
HIS CB  HB3  sing N N 152 
HIS CG  ND1  sing Y N 153 
HIS CG  CD2  doub Y N 154 
HIS ND1 CE1  doub Y N 155 
HIS ND1 HD1  sing N N 156 
HIS CD2 NE2  sing Y N 157 
HIS CD2 HD2  sing N N 158 
HIS CE1 NE2  sing Y N 159 
HIS CE1 HE1  sing N N 160 
HIS NE2 HE2  sing N N 161 
HIS OXT HXT  sing N N 162 
HOH O   H1   sing N N 163 
HOH O   H2   sing N N 164 
ILE N   CA   sing N N 165 
ILE N   H    sing N N 166 
ILE N   H2   sing N N 167 
ILE CA  C    sing N N 168 
ILE CA  CB   sing N N 169 
ILE CA  HA   sing N N 170 
ILE C   O    doub N N 171 
ILE C   OXT  sing N N 172 
ILE CB  CG1  sing N N 173 
ILE CB  CG2  sing N N 174 
ILE CB  HB   sing N N 175 
ILE CG1 CD1  sing N N 176 
ILE CG1 HG12 sing N N 177 
ILE CG1 HG13 sing N N 178 
ILE CG2 HG21 sing N N 179 
ILE CG2 HG22 sing N N 180 
ILE CG2 HG23 sing N N 181 
ILE CD1 HD11 sing N N 182 
ILE CD1 HD12 sing N N 183 
ILE CD1 HD13 sing N N 184 
ILE OXT HXT  sing N N 185 
LEU N   CA   sing N N 186 
LEU N   H    sing N N 187 
LEU N   H2   sing N N 188 
LEU CA  C    sing N N 189 
LEU CA  CB   sing N N 190 
LEU CA  HA   sing N N 191 
LEU C   O    doub N N 192 
LEU C   OXT  sing N N 193 
LEU CB  CG   sing N N 194 
LEU CB  HB2  sing N N 195 
LEU CB  HB3  sing N N 196 
LEU CG  CD1  sing N N 197 
LEU CG  CD2  sing N N 198 
LEU CG  HG   sing N N 199 
LEU CD1 HD11 sing N N 200 
LEU CD1 HD12 sing N N 201 
LEU CD1 HD13 sing N N 202 
LEU CD2 HD21 sing N N 203 
LEU CD2 HD22 sing N N 204 
LEU CD2 HD23 sing N N 205 
LEU OXT HXT  sing N N 206 
LYS N   CA   sing N N 207 
LYS N   H    sing N N 208 
LYS N   H2   sing N N 209 
LYS CA  C    sing N N 210 
LYS CA  CB   sing N N 211 
LYS CA  HA   sing N N 212 
LYS C   O    doub N N 213 
LYS C   OXT  sing N N 214 
LYS CB  CG   sing N N 215 
LYS CB  HB2  sing N N 216 
LYS CB  HB3  sing N N 217 
LYS CG  CD   sing N N 218 
LYS CG  HG2  sing N N 219 
LYS CG  HG3  sing N N 220 
LYS CD  CE   sing N N 221 
LYS CD  HD2  sing N N 222 
LYS CD  HD3  sing N N 223 
LYS CE  NZ   sing N N 224 
LYS CE  HE2  sing N N 225 
LYS CE  HE3  sing N N 226 
LYS NZ  HZ1  sing N N 227 
LYS NZ  HZ2  sing N N 228 
LYS NZ  HZ3  sing N N 229 
LYS OXT HXT  sing N N 230 
MET N   CA   sing N N 231 
MET N   H    sing N N 232 
MET N   H2   sing N N 233 
MET CA  C    sing N N 234 
MET CA  CB   sing N N 235 
MET CA  HA   sing N N 236 
MET C   O    doub N N 237 
MET C   OXT  sing N N 238 
MET CB  CG   sing N N 239 
MET CB  HB2  sing N N 240 
MET CB  HB3  sing N N 241 
MET CG  SD   sing N N 242 
MET CG  HG2  sing N N 243 
MET CG  HG3  sing N N 244 
MET SD  CE   sing N N 245 
MET CE  HE1  sing N N 246 
MET CE  HE2  sing N N 247 
MET CE  HE3  sing N N 248 
MET OXT HXT  sing N N 249 
PHE N   CA   sing N N 250 
PHE N   H    sing N N 251 
PHE N   H2   sing N N 252 
PHE CA  C    sing N N 253 
PHE CA  CB   sing N N 254 
PHE CA  HA   sing N N 255 
PHE C   O    doub N N 256 
PHE C   OXT  sing N N 257 
PHE CB  CG   sing N N 258 
PHE CB  HB2  sing N N 259 
PHE CB  HB3  sing N N 260 
PHE CG  CD1  doub Y N 261 
PHE CG  CD2  sing Y N 262 
PHE CD1 CE1  sing Y N 263 
PHE CD1 HD1  sing N N 264 
PHE CD2 CE2  doub Y N 265 
PHE CD2 HD2  sing N N 266 
PHE CE1 CZ   doub Y N 267 
PHE CE1 HE1  sing N N 268 
PHE CE2 CZ   sing Y N 269 
PHE CE2 HE2  sing N N 270 
PHE CZ  HZ   sing N N 271 
PHE OXT HXT  sing N N 272 
PRO N   CA   sing N N 273 
PRO N   CD   sing N N 274 
PRO N   H    sing N N 275 
PRO CA  C    sing N N 276 
PRO CA  CB   sing N N 277 
PRO CA  HA   sing N N 278 
PRO C   O    doub N N 279 
PRO C   OXT  sing N N 280 
PRO CB  CG   sing N N 281 
PRO CB  HB2  sing N N 282 
PRO CB  HB3  sing N N 283 
PRO CG  CD   sing N N 284 
PRO CG  HG2  sing N N 285 
PRO CG  HG3  sing N N 286 
PRO CD  HD2  sing N N 287 
PRO CD  HD3  sing N N 288 
PRO OXT HXT  sing N N 289 
SER N   CA   sing N N 290 
SER N   H    sing N N 291 
SER N   H2   sing N N 292 
SER CA  C    sing N N 293 
SER CA  CB   sing N N 294 
SER CA  HA   sing N N 295 
SER C   O    doub N N 296 
SER C   OXT  sing N N 297 
SER CB  OG   sing N N 298 
SER CB  HB2  sing N N 299 
SER CB  HB3  sing N N 300 
SER OG  HG   sing N N 301 
SER OXT HXT  sing N N 302 
THR N   CA   sing N N 303 
THR N   H    sing N N 304 
THR N   H2   sing N N 305 
THR CA  C    sing N N 306 
THR CA  CB   sing N N 307 
THR CA  HA   sing N N 308 
THR C   O    doub N N 309 
THR C   OXT  sing N N 310 
THR CB  OG1  sing N N 311 
THR CB  CG2  sing N N 312 
THR CB  HB   sing N N 313 
THR OG1 HG1  sing N N 314 
THR CG2 HG21 sing N N 315 
THR CG2 HG22 sing N N 316 
THR CG2 HG23 sing N N 317 
THR OXT HXT  sing N N 318 
TRP N   CA   sing N N 319 
TRP N   H    sing N N 320 
TRP N   H2   sing N N 321 
TRP CA  C    sing N N 322 
TRP CA  CB   sing N N 323 
TRP CA  HA   sing N N 324 
TRP C   O    doub N N 325 
TRP C   OXT  sing N N 326 
TRP CB  CG   sing N N 327 
TRP CB  HB2  sing N N 328 
TRP CB  HB3  sing N N 329 
TRP CG  CD1  doub Y N 330 
TRP CG  CD2  sing Y N 331 
TRP CD1 NE1  sing Y N 332 
TRP CD1 HD1  sing N N 333 
TRP CD2 CE2  doub Y N 334 
TRP CD2 CE3  sing Y N 335 
TRP NE1 CE2  sing Y N 336 
TRP NE1 HE1  sing N N 337 
TRP CE2 CZ2  sing Y N 338 
TRP CE3 CZ3  doub Y N 339 
TRP CE3 HE3  sing N N 340 
TRP CZ2 CH2  doub Y N 341 
TRP CZ2 HZ2  sing N N 342 
TRP CZ3 CH2  sing Y N 343 
TRP CZ3 HZ3  sing N N 344 
TRP CH2 HH2  sing N N 345 
TRP OXT HXT  sing N N 346 
TYR N   CA   sing N N 347 
TYR N   H    sing N N 348 
TYR N   H2   sing N N 349 
TYR CA  C    sing N N 350 
TYR CA  CB   sing N N 351 
TYR CA  HA   sing N N 352 
TYR C   O    doub N N 353 
TYR C   OXT  sing N N 354 
TYR CB  CG   sing N N 355 
TYR CB  HB2  sing N N 356 
TYR CB  HB3  sing N N 357 
TYR CG  CD1  doub Y N 358 
TYR CG  CD2  sing Y N 359 
TYR CD1 CE1  sing Y N 360 
TYR CD1 HD1  sing N N 361 
TYR CD2 CE2  doub Y N 362 
TYR CD2 HD2  sing N N 363 
TYR CE1 CZ   doub Y N 364 
TYR CE1 HE1  sing N N 365 
TYR CE2 CZ   sing Y N 366 
TYR CE2 HE2  sing N N 367 
TYR CZ  OH   sing N N 368 
TYR OH  HH   sing N N 369 
TYR OXT HXT  sing N N 370 
VAL N   CA   sing N N 371 
VAL N   H    sing N N 372 
VAL N   H2   sing N N 373 
VAL CA  C    sing N N 374 
VAL CA  CB   sing N N 375 
VAL CA  HA   sing N N 376 
VAL C   O    doub N N 377 
VAL C   OXT  sing N N 378 
VAL CB  CG1  sing N N 379 
VAL CB  CG2  sing N N 380 
VAL CB  HB   sing N N 381 
VAL CG1 HG11 sing N N 382 
VAL CG1 HG12 sing N N 383 
VAL CG1 HG13 sing N N 384 
VAL CG2 HG21 sing N N 385 
VAL CG2 HG22 sing N N 386 
VAL CG2 HG23 sing N N 387 
VAL OXT HXT  sing N N 388 
# 
_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                    9GLI 
_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]   0.021270 
_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]   0.021270 
_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]   0.007006 
_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 1.144   
# 
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   . SER A 1 2   ? 22.977  24.424  5.615  1.000 33.389 0 0   SER AAA N   1 ? 
ATOM   2    C CA  . SER A 1 2   ? 21.505  24.558  5.829  1.000 27.442 0 0   SER AAA CA  1 ? 
ATOM   3    C C   . SER A 1 2   ? 21.168  24.658  7.329  1.000 25.062 0 0   SER AAA C   1 ? 
ATOM   4    O O   . SER A 1 2   ? 21.365  23.630  8.114  1.000 21.212 0 0   SER AAA O   1 ? 
ATOM   5    C CB  . SER A 1 2   ? 20.768  23.409  5.189  1.000 32.366 0 0   SER AAA CB  1 ? 
ATOM   6    O OG  . SER A 1 2   ? 19.387  23.428  5.498  1.000 23.426 0 0   SER AAA OG  1 ? 
ATOM   7    N N   . MET A 1 3   ? 20.641  25.817  7.745  1.000 21.987 0 1   MET AAA N   1 ? 
ATOM   8    C CA  . MET A 1 3   ? 20.034  25.976  9.093  1.000 17.228 0 1   MET AAA CA  1 ? 
ATOM   9    C C   . MET A 1 3   ? 18.894  24.968  9.234  1.000 14.889 0 1   MET AAA C   1 ? 
ATOM   10   O O   . MET A 1 3   ? 18.811  24.373  10.312 1.000 14.273 0 1   MET AAA O   1 ? 
ATOM   11   C CB  . MET A 1 3   ? 19.485  27.372  9.454  1.000 17.222 0 1   MET AAA CB  1 ? 
ATOM   12   C CG  . MET A 1 3   ? 20.556  28.371  9.830  1.000 16.478 0 1   MET AAA CG  1 ? 
ATOM   13   S SD  . MET A 1 3   ? 19.867  29.899  10.516 1.000 15.450 0 1   MET AAA SD  1 ? 
ATOM   14   C CE  . MET A 1 3   ? 19.497  29.463  12.190 1.000 16.936 0 1   MET AAA CE  1 ? 
ATOM   15   N N   . ALA A 1 4   ? 18.026  24.815  8.239  1.000 16.063 0 2   ALA AAA N   1 ? 
ATOM   16   C CA  . ALA A 1 4   ? 16.884  23.896  8.403  1.000 15.797 0 2   ALA AAA CA  1 ? 
ATOM   17   C C   . ALA A 1 4   ? 17.450  22.504  8.636  1.000 14.543 0 2   ALA AAA C   1 ? 
ATOM   18   O O   . ALA A 1 4   ? 16.892  21.780  9.470  1.000 13.344 0 2   ALA AAA O   1 ? 
ATOM   19   C CB  . ALA A 1 4   ? 15.961  23.927  7.203  1.000 16.979 0 2   ALA AAA CB  1 ? 
ATOM   20   N N   . ASP A 1 5   ? 18.461  22.069  7.878  1.000 14.553 0 3   ASP AAA N   1 ? 
ATOM   21   C CA  . ASP A 1 5   ? 18.920  20.664  8.028  1.000 15.485 0 3   ASP AAA CA  1 ? 
ATOM   22   C C   . ASP A 1 5   ? 19.475  20.433  9.433  1.000 13.089 0 3   ASP AAA C   1 ? 
ATOM   23   O O   . ASP A 1 5   ? 19.186  19.380  10.024 1.000 14.284 0 3   ASP AAA O   1 ? 
ATOM   24   C CB  . ASP A 1 5   ? 19.956  20.334  6.969  1.000 17.297 0 3   ASP AAA CB  1 ? 
ATOM   25   C CG  . ASP A 1 5   ? 19.332  20.146  5.605  1.000 21.537 0 3   ASP AAA CG  1 ? 
ATOM   26   O OD1 . ASP A 1 5   ? 18.083  20.148  5.493  1.000 23.452 0 3   ASP AAA OD1 1 ? 
ATOM   27   O OD2 . ASP A 1 5   ? 20.117  20.016  4.675  1.000 27.377 0 3   ASP AAA OD2 1 ? 
ATOM   28   N N   . GLU A 1 6   ? 20.243  21.395  9.946  1.000 13.085 0 4   GLU AAA N   1 ? 
ATOM   29   C CA  . GLU A 1 6   ? 20.866  21.232  11.274 1.000 12.283 0 4   GLU AAA CA  1 ? 
ATOM   30   C C   . GLU A 1 6   ? 19.786  21.284  12.364 1.000 12.085 0 4   GLU AAA C   1 ? 
ATOM   31   O O   . GLU A 1 6   ? 19.828  20.491  13.326 1.000 12.241 0 4   GLU AAA O   1 ? 
ATOM   32   C CB  . GLU A 1 6   ? 21.944  22.278  11.486 1.000 13.997 0 4   GLU AAA CB  1 ? 
ATOM   33   C CG  . GLU A 1 6   ? 22.651  22.091  12.801 1.000 14.321 0 4   GLU AAA CG  1 ? 
ATOM   34   C CD  . GLU A 1 6   ? 23.448  20.812  13.013 1.000 16.988 0 4   GLU AAA CD  1 ? 
ATOM   35   O OE1 . GLU A 1 6   ? 23.638  20.048  12.022 1.000 18.429 0 4   GLU AAA OE1 1 ? 
ATOM   36   O OE2 . GLU A 1 6   ? 23.795  20.544  14.166 1.000 16.800 0 4   GLU AAA OE2 1 ? 
ATOM   37   N N   . ALA A 1 7   ? 18.812  22.191  12.223 1.000 11.567 0 5   ALA AAA N   1 ? 
ATOM   38   C CA  . ALA A 1 7   ? 17.741  22.274  13.219 1.000 11.627 0 5   ALA AAA CA  1 ? 
ATOM   39   C C   . ALA A 1 7   ? 16.959  20.968  13.278 1.000 11.080 0 5   ALA AAA C   1 ? 
ATOM   40   O O   . ALA A 1 7   ? 16.616  20.511  14.369 1.000 11.348 0 5   ALA AAA O   1 ? 
ATOM   41   C CB  . ALA A 1 7   ? 16.801  23.419  12.911 1.000 12.187 0 5   ALA AAA CB  1 ? 
ATOM   42   N N   . THR A 1 8   ? 16.672  20.371  12.127 1.000 11.472 0 6   THR AAA N   1 ? 
ATOM   43   C CA  . THR A 1 8   ? 15.964  19.074  12.079 1.000 11.766 0 6   THR AAA CA  1 ? 
ATOM   44   C C   . THR A 1 8   ? 16.834  18.008  12.791 1.000 12.321 0 6   THR AAA C   1 ? 
ATOM   45   O O   . THR A 1 8   ? 16.317  17.297  13.667 1.000 11.847 0 6   THR AAA O   1 ? 
ATOM   46   C CB  . THR A 1 8   ? 15.667  18.685  10.635 1.000 12.160 0 6   THR AAA CB  1 ? 
ATOM   47   O OG1 . THR A 1 8   ? 14.869  19.712  10.036 1.000 14.928 0 6   THR AAA OG1 1 ? 
ATOM   48   C CG2 . THR A 1 8   ? 14.940  17.353  10.573 1.000 13.018 0 6   THR AAA CG2 1 ? 
ATOM   49   N N   . ARG A 1 9   ? 18.121  17.939  12.443 1.000 12.861 0 7   ARG AAA N   1 ? 
ATOM   50   C CA  . ARG A 1 9   ? 19.016  16.918  13.030 1.000 13.108 0 7   ARG AAA CA  1 ? 
ATOM   51   C C   . ARG A 1 9   ? 19.049  17.074  14.544 1.000 12.442 0 7   ARG AAA C   1 ? 
ATOM   52   O O   . ARG A 1 9   ? 19.011  16.079  15.265 1.000 11.704 0 7   ARG AAA O   1 ? 
ATOM   53   C CB  . ARG A 1 9   ? 20.407  17.033  12.414 1.000 15.113 0 7   ARG AAA CB  1 ? 
ATOM   54   C CG  . ARG A 1 9   ? 21.323  15.850  12.615 1.000 20.610 0 7   ARG AAA CG  1 ? 
ATOM   55   C CD  . ARG A 1 9   ? 22.668  16.278  12.080 1.000 22.456 0 7   ARG AAA CD  1 ? 
ATOM   56   N NE  . ARG A 1 9   ? 23.272  17.240  12.998 1.000 25.062 0 7   ARG AAA NE  1 ? 
ATOM   57   C CZ  . ARG A 1 9   ? 23.797  16.960  14.185 1.000 27.600 0 7   ARG AAA CZ  1 ? 
ATOM   58   N NH1 . ARG A 1 9   ? 23.909  15.710  14.607 1.000 29.472 0 7   ARG AAA NH1 1 ? 
ATOM   59   N NH2 . ARG A 1 9   ? 24.267  17.949  14.930 1.000 25.659 0 7   ARG AAA NH2 1 ? 
ATOM   60   N N   . ARG A 1 10  ? 19.183  18.298  15.013 1.000 11.397 0 8   ARG AAA N   1 ? 
ATOM   61   C CA  . ARG A 1 10  ? 19.291  18.513  16.468 1.000 11.570 0 8   ARG AAA CA  1 ? 
ATOM   62   C C   . ARG A 1 10  ? 18.032  17.960  17.121 1.000 12.431 0 8   ARG AAA C   1 ? 
ATOM   63   O O   . ARG A 1 10  ? 18.143  17.389  18.237 1.000 14.693 0 8   ARG AAA O   1 ? 
ATOM   64   C CB  . ARG A 1 10  ? 19.505  19.991  16.791 1.000 11.680 0 8   ARG AAA CB  1 ? 
ATOM   65   C CG  . ARG A 1 10  ? 20.851  20.550  16.337 1.000 13.068 0 8   ARG AAA CG  1 ? 
ATOM   66   C CD  . ARG A 1 10  ? 21.924  20.319  17.366 1.000 13.101 0 8   ARG AAA CD  1 ? 
ATOM   67   N NE  . ARG A 1 10  ? 23.203  20.821  16.870 1.000 14.043 0 8   ARG AAA NE  1 ? 
ATOM   68   C CZ  . ARG A 1 10  ? 24.276  21.037  17.602 1.000 16.043 0 8   ARG AAA CZ  1 ? 
ATOM   69   N NH1 . ARG A 1 10  ? 24.268  20.716  18.884 1.000 17.223 0 8   ARG AAA NH1 1 ? 
ATOM   70   N NH2 . ARG A 1 10  ? 25.354  21.509  17.012 1.000 16.197 0 8   ARG AAA NH2 1 ? 
ATOM   71   N N   . VAL A 1 11  ? 16.863  18.252  16.564 1.000 11.113 0 9   VAL AAA N   1 ? 
ATOM   72   C CA  . VAL A 1 11  ? 15.607  17.780  17.217 1.000 13.486 0 9   VAL AAA CA  1 ? 
ATOM   73   C C   . VAL A 1 11  ? 15.459  16.270  17.129 1.000 15.173 0 9   VAL AAA C   1 ? 
ATOM   74   O O   . VAL A 1 11  ? 14.937  15.685  18.125 1.000 16.306 0 9   VAL AAA O   1 ? 
ATOM   75   C CB  . VAL A 1 11  ? 14.411  18.529  16.619 1.000 14.122 0 9   VAL AAA CB  1 ? 
ATOM   76   C CG1 . VAL A 1 11  ? 13.075  17.960  17.117 1.000 16.146 0 9   VAL AAA CG1 1 ? 
ATOM   77   C CG2 . VAL A 1 11  ? 14.496  20.012  16.906 1.000 14.269 0 9   VAL AAA CG2 1 ? 
ATOM   78   N N   . VAL A 1 12  ? 15.822  15.617  16.032 1.000 13.503 0 10  VAL AAA N   1 ? 
ATOM   79   C CA  . VAL A 1 12  ? 15.458  14.190  15.811 1.000 14.524 0 10  VAL AAA CA  1 ? 
ATOM   80   C C   . VAL A 1 12  ? 16.626  13.188  15.885 1.000 16.190 0 10  VAL AAA C   1 ? 
ATOM   81   O O   . VAL A 1 12  ? 16.370  12.009  15.729 1.000 14.265 0 10  VAL AAA O   1 ? 
ATOM   82   C CB  . VAL A 1 12  ? 14.650  13.982  14.511 1.000 15.684 0 10  VAL AAA CB  1 ? 
ATOM   83   C CG1 . VAL A 1 12  ? 13.408  14.859  14.547 1.000 17.740 0 10  VAL AAA CG1 1 ? 
ATOM   84   C CG2 . VAL A 1 12  ? 15.437  14.158  13.235 1.000 16.989 0 10  VAL AAA CG2 1 ? 
ATOM   85   N N   . SER A 1 13  ? 17.881  13.562  16.080 1.000 20.705 0 11  SER AAA N   1 ? 
ATOM   86   C CA  . SER A 1 13  ? 19.011  12.615  15.807 1.000 19.522 0 11  SER AAA CA  1 ? 
ATOM   87   C C   . SER A 1 13  ? 19.009  11.335  16.677 1.000 18.619 0 11  SER AAA C   1 ? 
ATOM   88   O O   . SER A 1 13  ? 19.719  10.384  16.240 1.000 22.230 0 11  SER AAA O   1 ? 
ATOM   89   C CB  . SER A 1 13  ? 20.348  13.337  15.924 1.000 23.159 0 11  SER AAA CB  1 ? 
ATOM   90   O OG  . SER A 1 13  ? 20.643  13.604  17.286 1.000 26.564 0 11  SER AAA OG  1 ? 
ATOM   91   N N   . GLU A 1 14  ? 18.427  11.329  17.904 1.000 15.744 0 12  GLU AAA N   1 ? 
ATOM   92   C CA  . GLU A 1 14  ? 18.404  10.135  18.800 1.000 15.468 0 12  GLU AAA CA  1 ? 
ATOM   93   C C   . GLU A 1 14  ? 17.046  9.425   18.744 1.000 13.599 0 12  GLU AAA C   1 ? 
ATOM   94   O O   . GLU A 1 14  ? 16.784  8.575   19.592 1.000 12.450 0 12  GLU AAA O   1 ? 
ATOM   95   C CB  . GLU A 1 14  ? 18.714  10.491  20.264 1.000 20.942 0 12  GLU AAA CB  1 ? 
ATOM   96   C CG  . GLU A 1 14  ? 20.140  10.986  20.456 1.000 25.431 0 12  GLU AAA CG  1 ? 
ATOM   97   C CD  . GLU A 1 14  ? 20.495  11.398  21.868 1.000 29.813 0 12  GLU AAA CD  1 ? 
ATOM   98   O OE1 . GLU A 1 14  ? 20.030  12.505  22.308 1.000 31.751 0 12  GLU AAA OE1 1 ? 
ATOM   99   O OE2 . GLU A 1 14  ? 21.291  10.659  22.476 1.000 32.373 0 12  GLU AAA OE2 1 ? 
ATOM   100  N N   . ILE A 1 15  ? 16.213  9.772   17.765 1.000 11.918 0 13  ILE AAA N   1 ? 
ATOM   101  C CA  . ILE A 1 15  ? 14.949  9.059   17.513 1.000 11.400 0 13  ILE AAA CA  1 ? 
ATOM   102  C C   . ILE A 1 15  ? 15.257  7.999   16.463 1.000 10.525 0 13  ILE AAA C   1 ? 
ATOM   103  O O   . ILE A 1 15  ? 15.780  8.297   15.405 1.000 11.424 0 13  ILE AAA O   1 ? 
ATOM   104  C CB  . ILE A 1 15  ? 13.856  10.017  17.056 1.000 11.727 0 13  ILE AAA CB  1 ? 
ATOM   105  C CG1 . ILE A 1 15  ? 13.614  11.121  18.087 1.000 12.244 0 13  ILE AAA CG1 1 ? 
ATOM   106  C CG2 . ILE A 1 15  ? 12.614  9.246   16.736 1.000 12.253 0 13  ILE AAA CG2 1 ? 
ATOM   107  C CD1 . ILE A 1 15  ? 12.530  12.102  17.707 1.000 12.340 0 13  ILE AAA CD1 1 ? 
ATOM   108  N N   . PRO A 1 16  ? 14.920  6.719   16.700 1.000 10.765 0 14  PRO AAA N   1 ? 
ATOM   109  C CA  . PRO A 1 16  ? 15.124  5.699   15.680 1.000 11.343 0 14  PRO AAA CA  1 ? 
ATOM   110  C C   . PRO A 1 16  ? 14.413  6.108   14.386 1.000 10.874 0 14  PRO AAA C   1 ? 
ATOM   111  O O   . PRO A 1 16  ? 13.270  6.503   14.392 1.000 10.882 0 14  PRO AAA O   1 ? 
ATOM   112  C CB  . PRO A 1 16  ? 14.525  4.438   16.301 1.000 10.428 0 14  PRO AAA CB  1 ? 
ATOM   113  C CG  . PRO A 1 16  ? 14.609  4.696   17.794 1.000 10.849 0 14  PRO AAA CG  1 ? 
ATOM   114  C CD  . PRO A 1 16  ? 14.367  6.178   17.947 1.000 10.284 0 14  PRO AAA CD  1 ? 
ATOM   115  N N   . VAL A 1 17  ? 15.106  5.935   13.270 1.000 11.585 0 15  VAL AAA N   1 ? 
ATOM   116  C CA  . VAL A 1 17  ? 14.577  6.171   11.913 1.000 13.132 0 15  VAL AAA CA  1 ? 
ATOM   117  C C   . VAL A 1 17  ? 13.718  4.973   11.516 1.000 12.527 0 15  VAL AAA C   1 ? 
ATOM   118  O O   . VAL A 1 17  ? 13.963  3.838   12.004 1.000 12.354 0 15  VAL AAA O   1 ? 
ATOM   119  C CB  . VAL A 1 17  ? 15.784  6.397   10.982 1.000 16.125 0 15  VAL AAA CB  1 ? 
ATOM   120  C CG1 . VAL A 1 17  ? 15.408  6.440   9.525  1.000 20.456 0 15  VAL AAA CG1 1 ? 
ATOM   121  C CG2 . VAL A 1 17  ? 16.545  7.648   11.380 1.000 16.644 0 15  VAL AAA CG2 1 ? 
ATOM   122  N N   . LEU A 1 18  ? 12.695  5.226   10.719 1.000 11.553 0 16  LEU AAA N   1 ? 
ATOM   123  C CA  . LEU A 1 18  ? 11.816  4.175   10.205 1.000 12.093 0 16  LEU AAA CA  1 ? 
ATOM   124  C C   . LEU A 1 18  ? 12.212  3.842   8.771  1.000 12.624 0 16  LEU AAA C   1 ? 
ATOM   125  O O   . LEU A 1 18  ? 13.041  4.547   8.174  1.000 14.214 0 16  LEU AAA O   1 ? 
ATOM   126  C CB  . LEU A 1 18  ? 10.368  4.621   10.328 1.000 12.433 0 16  LEU AAA CB  1 ? 
ATOM   127  C CG  . LEU A 1 18  ? 9.864   4.709   11.772 1.000 12.459 0 16  LEU AAA CG  1 ? 
ATOM   128  C CD1 . LEU A 1 18  ? 10.181  6.086   12.345 1.000 13.156 0 16  LEU AAA CD1 1 ? 
ATOM   129  C CD2 . LEU A 1 18  ? 8.390   4.407   11.824 1.000 12.787 0 16  LEU AAA CD2 1 ? 
ATOM   130  N N   . LYS A 1 19  ? 11.745  2.698   8.321  1.000 12.782 0 17  LYS AAA N   1 ? 
ATOM   131  C CA  . LYS A 1 19  ? 12.206  2.179   7.012  1.000 15.870 0 17  LYS AAA CA  1 ? 
ATOM   132  C C   . LYS A 1 19  ? 11.046  1.840   6.095  1.000 14.238 0 17  LYS AAA C   1 ? 
ATOM   133  O O   . LYS A 1 19  ? 11.176  2.028   4.880  1.000 14.896 0 17  LYS AAA O   1 ? 
ATOM   134  C CB  . LYS A 1 19  ? 13.014  0.907   7.204  1.000 19.987 0 17  LYS AAA CB  1 ? 
ATOM   135  C CG  . LYS A 1 19  ? 13.671  0.448   5.904  1.000 23.485 0 17  LYS AAA CG  1 ? 
ATOM   136  C CD  . LYS A 1 19  ? 14.021  -1.004  5.897  1.000 28.521 0 17  LYS AAA CD  1 ? 
ATOM   137  C CE  . LYS A 1 19  ? 12.806  -1.888  5.943  1.000 29.494 0 17  LYS AAA CE  1 ? 
ATOM   138  N NZ  . LYS A 1 19  ? 13.040  -3.079  5.092  1.000 23.724 0 17  LYS AAA NZ  1 ? 
ATOM   139  N N   . THR A 1 20  ? 10.008  1.184   6.586  1.000 11.388 0 18  THR AAA N   1 ? 
ATOM   140  C CA  . THR A 1 20  ? 9.077   0.489   5.691  1.000 11.868 0 18  THR AAA CA  1 ? 
ATOM   141  C C   . THR A 1 20  ? 8.060   1.461   5.083  1.000 11.968 0 18  THR AAA C   1 ? 
ATOM   142  O O   . THR A 1 20  ? 7.377   2.224   5.777  1.000 12.381 0 18  THR AAA O   1 ? 
ATOM   143  C CB  . THR A 1 20  ? 8.363   -0.659  6.422  1.000 11.358 0 18  THR AAA CB  1 ? 
ATOM   144  O OG1 . THR A 1 20  ? 9.327   -1.596  6.893  1.000 11.204 0 18  THR AAA OG1 1 ? 
ATOM   145  C CG2 . THR A 1 20  ? 7.327   -1.333  5.554  1.000 11.551 0 18  THR AAA CG2 1 ? 
ATOM   146  N N   . ASN A 1 21  ? 7.887   1.369   3.751  1.000 11.386 0 19  ASN AAA N   1 ? 
ATOM   147  C CA  . ASN A 1 21  ? 6.836   2.097   3.044  1.000 13.193 0 19  ASN AAA CA  1 ? 
ATOM   148  C C   . ASN A 1 21  ? 5.553   1.294   3.086  1.000 13.937 0 19  ASN AAA C   1 ? 
ATOM   149  O O   . ASN A 1 21  ? 5.276   0.497   2.144  1.000 16.248 0 19  ASN AAA O   1 ? 
ATOM   150  C CB  . ASN A 1 21  ? 7.210   2.306   1.581  1.000 13.818 0 19  ASN AAA CB  1 ? 
ATOM   151  C CG  . ASN A 1 21  ? 6.059   2.928   0.834  1.000 15.730 0 19  ASN AAA CG  1 ? 
ATOM   152  O OD1 . ASN A 1 21  ? 5.305   3.679   1.459  1.000 15.816 0 19  ASN AAA OD1 1 ? 
ATOM   153  N ND2 . ASN A 1 21  ? 5.867   2.543   -0.426 1.000 17.654 0 19  ASN AAA ND2 1 ? 
ATOM   154  N N   . ALA A 1 22  ? 4.788   1.455   4.161  1.000 12.771 0 20  ALA AAA N   1 ? 
ATOM   155  C CA  . ALA A 1 22  ? 3.527   0.717   4.300  1.000 12.707 0 20  ALA AAA CA  1 ? 
ATOM   156  C C   . ALA A 1 22  ? 2.549   1.633   5.020  1.000 12.309 0 20  ALA AAA C   1 ? 
ATOM   157  O O   . ALA A 1 22  ? 2.963   2.256   5.986  1.000 11.745 0 20  ALA AAA O   1 ? 
ATOM   158  C CB  . ALA A 1 22  ? 3.723   -0.548  5.053  1.000 13.881 0 20  ALA AAA CB  1 ? 
ATOM   159  N N   . GLY A 1 23  ? 1.288   1.561   4.618  1.000 12.456 0 21  GLY AAA N   1 ? 
ATOM   160  C CA  . GLY A 1 23  ? 0.160   2.159   5.306  1.000 12.389 0 21  GLY AAA CA  1 ? 
ATOM   161  C C   . GLY A 1 23  ? -0.844  1.104   5.753  1.000 13.002 0 21  GLY AAA C   1 ? 
ATOM   162  O O   . GLY A 1 23  ? -0.628  -0.110  5.670  1.000 12.502 0 21  GLY AAA O   1 ? 
ATOM   163  N N   . PRO A 1 24  ? -1.953  1.577   6.339  1.000 14.182 0 22  PRO AAA N   1 ? 
ATOM   164  C CA  . PRO A 1 24  ? -2.936  0.731   7.016  1.000 14.314 0 22  PRO AAA CA  1 ? 
ATOM   165  C C   . PRO A 1 24  ? -3.493  -0.473  6.249  1.000 16.298 0 22  PRO AAA C   1 ? 
ATOM   166  O O   . PRO A 1 24  ? -3.831  -1.448  6.898  1.000 17.904 0 22  PRO AAA O   1 ? 
ATOM   167  C CB  . PRO A 1 24  ? -4.106  1.720   7.227  1.000 15.884 0 22  PRO AAA CB  1 ? 
ATOM   168  C CG  . PRO A 1 24  ? -3.443  3.050   7.415  1.000 16.342 0 22  PRO AAA CG  1 ? 
ATOM   169  C CD  . PRO A 1 24  ? -2.195  3.001   6.569  1.000 13.914 0 22  PRO AAA CD  1 ? 
ATOM   170  N N   . ARG A 1 25  ? -3.491  -0.409  4.926  1.000 13.537 0 23  ARG AAA N   1 ? 
ATOM   171  C CA  . ARG A 1 25  ? -4.058  -1.498  4.090  1.000 16.314 0 23  ARG AAA CA  1 ? 
ATOM   172  C C   . ARG A 1 25  ? -2.993  -2.551  3.790  1.000 16.612 0 23  ARG AAA C   1 ? 
ATOM   173  O O   . ARG A 1 25  ? -3.312  -3.551  3.108  1.000 17.904 0 23  ARG AAA O   1 ? 
ATOM   174  C CB  . ARG A 1 25  ? -4.676  -0.921  2.820  1.000 17.758 0 23  ARG AAA CB  1 ? 
ATOM   175  C CG  . ARG A 1 25  ? -5.795  0.058   3.138  1.000 20.933 0 23  ARG AAA CG  1 ? 
ATOM   176  C CD  . ARG A 1 25  ? -6.637  0.573   1.986  1.000 26.415 0 23  ARG AAA CD  1 ? 
ATOM   177  N NE  . ARG A 1 25  ? -5.850  0.594   0.782  1.000 31.996 0 23  ARG AAA NE  1 ? 
ATOM   178  C CZ  . ARG A 1 25  ? -6.253  1.078   -0.387 1.000 35.067 0 23  ARG AAA CZ  1 ? 
ATOM   179  N NH1 . ARG A 1 25  ? -7.460  1.629   -0.492 1.000 32.831 0 23  ARG AAA NH1 1 ? 
ATOM   180  N NH2 . ARG A 1 25  ? -5.409  1.021   -1.411 1.000 29.675 0 23  ARG AAA NH2 1 ? 
ATOM   181  N N   . ASP A 1 26  ? -1.737  -2.380  4.226  1.000 15.308 0 24  ASP AAA N   1 ? 
ATOM   182  C CA  . ASP A 1 26  ? -0.590  -3.140  3.652  1.000 16.309 0 24  ASP AAA CA  1 ? 
ATOM   183  C C   . ASP A 1 26  ? -0.182  -4.409  4.410  1.000 16.653 0 24  ASP AAA C   1 ? 
ATOM   184  O O   . ASP A 1 26  ? 0.934   -4.918  4.166  1.000 16.604 0 24  ASP AAA O   1 ? 
ATOM   185  C CB  . ASP A 1 26  ? 0.564   -2.172  3.459  1.000 15.774 0 24  ASP AAA CB  1 ? 
ATOM   186  C CG  . ASP A 1 26  ? 0.277   -1.157  2.377  1.000 21.553 0 24  ASP AAA CG  1 ? 
ATOM   187  O OD1 . ASP A 1 26  ? -0.642  -1.403  1.530  1.000 32.264 0 24  ASP AAA OD1 1 ? 
ATOM   188  O OD2 . ASP A 1 26  ? 0.918   -0.129  2.358  1.000 17.391 0 24  ASP AAA OD2 1 ? 
ATOM   189  N N   . ARG A 1 27  ? -1.060  -4.957  5.245  1.000 17.101 0 25  ARG AAA N   1 ? 
ATOM   190  C CA  . ARG A 1 27  ? -0.973  -6.346  5.743  1.000 18.131 0 25  ARG AAA CA  1 ? 
ATOM   191  C C   . ARG A 1 27  ? 0.371   -6.526  6.457  1.000 16.563 0 25  ARG AAA C   1 ? 
ATOM   192  O O   . ARG A 1 27  ? 0.651   -5.771  7.446  1.000 16.719 0 25  ARG AAA O   1 ? 
ATOM   193  C CB  . ARG A 1 27  ? -1.204  -7.337  4.580  1.000 22.386 0 25  ARG AAA CB  1 ? 
ATOM   194  C CG  . ARG A 1 27  ? -2.401  -7.036  3.684  1.000 28.610 0 25  ARG AAA CG  1 ? 
ATOM   195  C CD  . ARG A 1 27  ? -3.708  -6.785  4.388  1.000 32.453 0 25  ARG AAA CD  1 ? 
ATOM   196  N N   . GLU A 1 28  ? 1.183   -7.520  6.106  1.000 16.130 0 26  GLU AAA N   1 ? 
ATOM   197  C CA  . GLU A 1 28  ? 2.370   -7.849  6.906  1.000 16.533 0 26  GLU AAA CA  1 ? 
ATOM   198  C C   . GLU A 1 28  ? 3.328   -6.666  6.863  1.000 13.873 0 26  GLU AAA C   1 ? 
ATOM   199  O O   . GLU A 1 28  ? 4.124   -6.512  7.786  1.000 13.876 0 26  GLU AAA O   1 ? 
ATOM   200  C CB  . GLU A 1 28  ? 3.045   -9.115  6.376  1.000 20.465 0 26  GLU AAA CB  1 ? 
ATOM   201  C CG  . GLU A 1 28  ? 3.535   -9.039  4.948  1.000 22.107 0 26  GLU AAA CG  1 ? 
ATOM   202  C CD  . GLU A 1 28  ? 2.475   -9.024  3.859  1.000 29.692 0 26  GLU AAA CD  1 ? 
ATOM   203  O OE1 . GLU A 1 28  ? 1.338   -9.512  4.125  1.000 26.646 0 26  GLU AAA OE1 1 ? 
ATOM   204  O OE2 . GLU A 1 28  ? 2.804   -8.521  2.761  1.000 33.213 0 26  GLU AAA OE2 1 ? 
ATOM   205  N N   . LEU A 1 29  ? 3.364   -5.904  5.774  1.000 14.223 0 27  LEU AAA N   1 ? 
ATOM   206  C CA  . LEU A 1 29  ? 4.284   -4.733  5.721  1.000 12.703 0 27  LEU AAA CA  1 ? 
ATOM   207  C C   . LEU A 1 29  ? 3.795   -3.665  6.696  1.000 12.039 0 27  LEU AAA C   1 ? 
ATOM   208  O O   . LEU A 1 29  ? 4.619   -2.926  7.241  1.000 11.413 0 27  LEU AAA O   1 ? 
ATOM   209  C CB  . LEU A 1 29  ? 4.372   -4.204  4.291  1.000 13.617 0 27  LEU AAA CB  1 ? 
ATOM   210  C CG  . LEU A 1 29  ? 5.039   -5.135  3.281  1.000 15.612 0 27  LEU AAA CG  1 ? 
ATOM   211  C CD1 . LEU A 1 29  ? 4.949   -4.536  1.898  1.000 15.629 0 27  LEU AAA CD1 1 ? 
ATOM   212  C CD2 . LEU A 1 29  ? 6.459   -5.396  3.636  1.000 17.508 0 27  LEU AAA CD2 1 ? 
ATOM   213  N N   . TRP A 1 30  ? 2.485   -3.511  6.864  1.000 12.238 0 28  TRP AAA N   1 ? 
ATOM   214  C CA  . TRP A 1 30  ? 1.942   -2.558  7.868  1.000 12.190 0 28  TRP AAA CA  1 ? 
ATOM   215  C C   . TRP A 1 30  ? 2.298   -3.022  9.267  1.000 11.643 0 28  TRP AAA C   1 ? 
ATOM   216  O O   . TRP A 1 30  ? 2.683   -2.189  10.092 1.000 10.710 0 28  TRP AAA O   1 ? 
ATOM   217  C CB  . TRP A 1 30  ? 0.440   -2.387  7.657  1.000 12.511 0 28  TRP AAA CB  1 ? 
ATOM   218  C CG  . TRP A 1 30  ? -0.175  -1.467  8.666  1.000 12.261 0 28  TRP AAA CG  1 ? 
ATOM   219  C CD1 . TRP A 1 30  ? -1.238  -1.743  9.469  1.000 13.005 0 28  TRP AAA CD1 1 ? 
ATOM   220  C CD2 . TRP A 1 30  ? 0.213   -0.106  8.961  1.000 12.638 0 28  TRP AAA CD2 1 ? 
ATOM   221  N NE1 . TRP A 1 30  ? -1.540  -0.675  10.243 1.000 13.908 0 28  TRP AAA NE1 1 ? 
ATOM   222  C CE2 . TRP A 1 30  ? -0.671  0.338   9.973  1.000 13.365 0 28  TRP AAA CE2 1 ? 
ATOM   223  C CE3 . TRP A 1 30  ? 1.180   0.794   8.492  1.000 13.443 0 28  TRP AAA CE3 1 ? 
ATOM   224  C CZ2 . TRP A 1 30  ? -0.641  1.632   10.482 1.000 13.488 0 28  TRP AAA CZ2 1 ? 
ATOM   225  C CZ3 . TRP A 1 30  ? 1.216   2.070   9.016  1.000 12.972 0 28  TRP AAA CZ3 1 ? 
ATOM   226  C CH2 . TRP A 1 30  ? 0.357   2.452   10.041 1.000 13.872 0 28  TRP AAA CH2 1 ? 
ATOM   227  N N   . VAL A 1 31  ? 2.187   -4.329  9.540  1.000 11.294 0 29  VAL AAA N   1 ? 
ATOM   228  C CA  . VAL A 1 31  ? 2.590   -4.827  10.886 1.000 12.337 0 29  VAL AAA CA  1 ? 
ATOM   229  C C   . VAL A 1 31  ? 4.054   -4.455  11.151 1.000 10.877 0 29  VAL AAA C   1 ? 
ATOM   230  O O   . VAL A 1 31  ? 4.402   -4.031  12.266 1.000 12.144 0 29  VAL AAA O   1 ? 
ATOM   231  C CB  . VAL A 1 31  ? 2.302   -6.318  11.028 1.000 13.548 0 29  VAL AAA CB  1 ? 
ATOM   232  C CG1 . VAL A 1 31  ? 2.885   -6.853  12.335 1.000 14.751 0 29  VAL AAA CG1 1 ? 
ATOM   233  C CG2 . VAL A 1 31  ? 0.797   -6.506  10.890 1.000 15.542 0 29  VAL AAA CG2 1 ? 
ATOM   234  N N   . GLN A 1 32  ? 4.914   -4.588  10.142 1.000 10.511 0 30  GLN AAA N   1 ? 
ATOM   235  C CA  . GLN A 1 32  ? 6.347   -4.269  10.281 1.000 10.632 0 30  GLN AAA CA  1 ? 
ATOM   236  C C   . GLN A 1 32  ? 6.491   -2.767  10.506 1.000 11.127 0 30  GLN AAA C   1 ? 
ATOM   237  O O   . GLN A 1 32  ? 7.286   -2.336  11.332 1.000 11.169 0 30  GLN AAA O   1 ? 
ATOM   238  C CB  . GLN A 1 32  ? 7.100   -4.768  9.055  1.000 11.334 0 30  GLN AAA CB  1 ? 
ATOM   239  C CG  . GLN A 1 32  ? 8.530   -4.282  8.983  1.000 10.831 0 30  GLN AAA CG  1 ? 
ATOM   240  C CD  . GLN A 1 32  ? 9.374   -4.739  10.162 1.000 11.385 0 30  GLN AAA CD  1 ? 
ATOM   241  O OE1 . GLN A 1 32  ? 9.240   -5.876  10.646 1.000 11.537 0 30  GLN AAA OE1 1 ? 
ATOM   242  N NE2 . GLN A 1 32  ? 10.329  -3.904  10.535 1.000 12.097 0 30  GLN AAA NE2 1 ? 
ATOM   243  N N   . ARG A 1 33  ? 5.816   -1.965  9.705  1.000 11.142 0 31  ARG AAA N   1 ? 
ATOM   244  C CA  . ARG A 1 33  ? 5.893   -0.495  9.911  1.000 10.582 0 31  ARG AAA CA  1 ? 
ATOM   245  C C   . ARG A 1 33  ? 5.487   -0.156  11.348 1.000 11.469 0 31  ARG AAA C   1 ? 
ATOM   246  O O   . ARG A 1 33  ? 6.136   0.695   11.968 1.000 10.437 0 31  ARG AAA O   1 ? 
ATOM   247  C CB  . ARG A 1 33  ? 5.027   0.227   8.895  1.000 11.039 0 31  ARG AAA CB  1 ? 
ATOM   248  C CG  . ARG A 1 33  ? 5.008   1.752   9.054  1.000 10.909 0 31  ARG AAA CG  1 ? 
ATOM   249  C CD  . ARG A 1 33  ? 6.355   2.380   8.848  1.000 11.124 0 31  ARG AAA CD  1 ? 
ATOM   250  N NE  . ARG A 1 33  ? 6.298   3.803   9.088  1.000 11.128 0 31  ARG AAA NE  1 ? 
ATOM   251  C CZ  . ARG A 1 33  ? 7.115   4.717   8.571  1.000 11.177 0 31  ARG AAA CZ  1 ? 
ATOM   252  N NH1 . ARG A 1 33  ? 8.002   4.392   7.660  1.000 11.667 0 31  ARG AAA NH1 1 ? 
ATOM   253  N NH2 . ARG A 1 33  ? 7.062   5.950   9.023  1.000 11.533 0 31  ARG AAA NH2 1 ? 
ATOM   254  N N   . LEU A 1 34  ? 4.435   -0.779  11.852 1.000 10.449 0 32  LEU AAA N   1 ? 
ATOM   255  C CA  . LEU A 1 34  ? 4.042   -0.515  13.263 1.000 10.564 0 32  LEU AAA CA  1 ? 
ATOM   256  C C   . LEU A 1 34  ? 5.108   -0.925  14.267 1.000 11.034 0 32  LEU AAA C   1 ? 
ATOM   257  O O   . LEU A 1 34  ? 5.254   -0.224  15.283 1.000 10.853 0 32  LEU AAA O   1 ? 
ATOM   258  C CB  . LEU A 1 34  ? 2.710   -1.203  13.547 1.000 11.088 0 32  LEU AAA CB  1 ? 
ATOM   259  C CG  . LEU A 1 34  ? 1.510   -0.500  12.949 1.000 12.115 0 32  LEU AAA CG  1 ? 
ATOM   260  C CD1 . LEU A 1 34  ? 0.303   -1.392  13.051 1.000 12.989 0 32  LEU AAA CD1 1 ? 
ATOM   261  C CD2 . LEU A 1 34  ? 1.258   0.864   13.642 1.000 13.307 0 32  LEU AAA CD2 1 ? 
ATOM   262  N N   . LYS A 1 35  ? 5.848   -1.998  14.047 1.000 11.400 0 33  LYS AAA N   1 ? 
ATOM   263  C CA  . LYS A 1 35  ? 6.981   -2.316  14.935 1.000 11.252 0 33  LYS AAA CA  1 ? 
ATOM   264  C C   . LYS A 1 35  ? 7.969   -1.143  14.932 1.000 10.557 0 33  LYS AAA C   1 ? 
ATOM   265  O O   . LYS A 1 35  ? 8.460   -0.746  16.007 1.000 11.726 0 33  LYS AAA O   1 ? 
ATOM   266  C CB  . LYS A 1 35  ? 7.647   -3.635  14.534 1.000 11.916 0 33  LYS AAA CB  1 ? 
ATOM   267  C CG  . LYS A 1 35  ? 6.725   -4.830  14.640 1.000 13.688 0 33  LYS AAA CG  1 ? 
ATOM   268  C CD  . LYS A 1 35  ? 7.396   -6.114  14.219 1.000 14.479 0 33  LYS AAA CD  1 ? 
ATOM   269  C CE  . LYS A 1 35  ? 6.403   -7.261  14.271 1.000 16.393 0 33  LYS AAA CE  1 ? 
ATOM   270  N NZ  . LYS A 1 35  ? 7.043   -8.473  13.739 1.000 17.162 0 33  LYS AAA NZ  1 ? 
ATOM   271  N N   . GLU A 1 36  ? 8.303   -0.622  13.759 1.000 10.115 0 34  GLU AAA N   1 ? 
ATOM   272  C CA  . GLU A 1 36  ? 9.189   0.550   13.629 1.000 10.002 0 34  GLU AAA CA  1 ? 
ATOM   273  C C   . GLU A 1 36  ? 8.566   1.739   14.379 1.000 10.529 0 34  GLU AAA C   1 ? 
ATOM   274  O O   . GLU A 1 36  ? 9.313   2.482   15.019 1.000 10.278 0 34  GLU AAA O   1 ? 
ATOM   275  C CB  . GLU A 1 36  ? 9.468   0.823   12.149 1.000 11.099 0 34  GLU AAA CB  1 ? 
ATOM   276  C CG  . GLU A 1 36  ? 10.196  -0.314  11.471 1.000 11.032 0 34  GLU AAA CG  1 ? 
ATOM   277  C CD  . GLU A 1 36  ? 10.105  -0.245  9.958  1.000 12.315 0 34  GLU AAA CD  1 ? 
ATOM   278  O OE1 . GLU A 1 36  ? 9.772   0.835   9.421  1.000 12.805 0 34  GLU AAA OE1 1 ? 
ATOM   279  O OE2 . GLU A 1 36  ? 10.369  -1.261  9.306  1.000 13.139 0 34  GLU AAA OE2 1 ? 
ATOM   280  N N   . GLU A 1 37  ? 7.280   1.963   14.237 1.000 9.636  0 35  GLU AAA N   1 ? 
ATOM   281  C CA  . GLU A 1 37  ? 6.614   3.120   14.880 1.000 10.193 0 35  GLU AAA CA  1 ? 
ATOM   282  C C   . GLU A 1 37  ? 6.711   2.979   16.389 1.000 10.327 0 35  GLU AAA C   1 ? 
ATOM   283  O O   . GLU A 1 37  ? 7.070   3.943   17.045 1.000 10.196 0 35  GLU AAA O   1 ? 
ATOM   284  C CB  . GLU A 1 37  ? 5.165   3.214   14.460 1.000 10.432 0 35  GLU AAA CB  1 ? 
ATOM   285  C CG  . GLU A 1 37  ? 4.987   3.498   12.982 1.000 10.033 0 35  GLU AAA CG  1 ? 
ATOM   286  C CD  . GLU A 1 37  ? 5.276   4.924   12.558 1.000 11.667 0 35  GLU AAA CD  1 ? 
ATOM   287  O OE1 . GLU A 1 37  ? 5.601   5.762   13.450 1.000 10.388 0 35  GLU AAA OE1 1 ? 
ATOM   288  O OE2 . GLU A 1 37  ? 5.204   5.181   11.338 1.000 11.455 0 35  GLU AAA OE2 1 ? 
ATOM   289  N N   . TYR A 1 38  ? 6.428   1.799   16.907 1.000 10.253 0 36  TYR AAA N   1 ? 
ATOM   290  C CA  . TYR A 1 38  ? 6.451   1.629   18.378 1.000 10.274 0 36  TYR AAA CA  1 ? 
ATOM   291  C C   . TYR A 1 38  ? 7.887   1.702   18.885 1.000 10.761 0 36  TYR AAA C   1 ? 
ATOM   292  O O   . TYR A 1 38  ? 8.087   2.292   19.974 1.000 11.622 0 36  TYR AAA O   1 ? 
ATOM   293  C CB  . TYR A 1 38  ? 5.721   0.351   18.774 1.000 10.248 0 36  TYR AAA CB  1 ? 
ATOM   294  C CG  . TYR A 1 38  ? 4.237   0.498   18.949 1.000 11.040 0 36  TYR AAA CG  1 ? 
ATOM   295  C CD1 . TYR A 1 38  ? 3.349   0.212   17.930 1.000 11.352 0 36  TYR AAA CD1 1 ? 
ATOM   296  C CD2 . TYR A 1 38  ? 3.701   0.894   20.157 1.000 11.148 0 36  TYR AAA CD2 1 ? 
ATOM   297  C CE1 . TYR A 1 38  ? 1.969   0.357   18.115 1.000 11.965 0 36  TYR AAA CE1 1 ? 
ATOM   298  C CE2 . TYR A 1 38  ? 2.344   1.048   20.353 1.000 11.759 0 36  TYR AAA CE2 1 ? 
ATOM   299  C CZ  . TYR A 1 38  ? 1.465   0.783   19.328 1.000 11.651 0 36  TYR AAA CZ  1 ? 
ATOM   300  O OH  . TYR A 1 38  ? 0.125   0.832   19.571 1.000 13.141 0 36  TYR AAA OH  1 ? 
ATOM   301  N N   . GLN A 1 39  ? 8.858   1.134   18.212 1.000 10.431 0 37  GLN AAA N   1 ? 
ATOM   302  C CA  . GLN A 1 39  ? 10.279  1.172   18.675 1.000 12.263 0 37  GLN AAA CA  1 ? 
ATOM   303  C C   . GLN A 1 39  ? 10.745  2.631   18.646 1.000 10.992 0 37  GLN AAA C   1 ? 
ATOM   304  O O   . GLN A 1 39  ? 11.438  3.058   19.578 1.000 12.200 0 37  GLN AAA O   1 ? 
ATOM   305  C CB  . GLN A 1 39  ? 11.147  0.189   17.896 1.000 15.312 0 37  GLN AAA CB  1 ? 
ATOM   306  C CG  . GLN A 1 39  ? 11.863  0.697   16.689 1.000 17.333 0 37  GLN AAA CG  1 ? 
ATOM   307  C CD  . GLN A 1 39  ? 12.684  -0.331  15.950 1.000 17.101 0 37  GLN AAA CD  1 ? 
ATOM   308  O OE1 . GLN A 1 39  ? 12.970  -1.460  16.400 1.000 19.554 0 37  GLN AAA OE1 1 ? 
ATOM   309  N NE2 . GLN A 1 39  ? 12.997  0.029   14.729 1.000 17.479 0 37  GLN AAA NE2 1 ? 
ATOM   310  N N   . SER A 1 40  ? 10.300  3.412   17.678 1.000 10.798 0 38  SER AAA N   1 ? 
ATOM   311  C CA  . SER A 1 40  ? 10.727  4.837   17.566 1.000 10.520 0 38  SER AAA CA  1 ? 
ATOM   312  C C   . SER A 1 40  ? 10.067  5.645   18.693 1.000 10.740 0 38  SER AAA C   1 ? 
ATOM   313  O O   . SER A 1 40  ? 10.729  6.468   19.362 1.000 11.060 0 38  SER AAA O   1 ? 
ATOM   314  C CB  . SER A 1 40  ? 10.390  5.370   16.189 1.000 11.784 0 38  SER AAA CB  1 ? 
ATOM   315  O OG  . SER A 1 40  ? 11.297  4.816   15.242 1.000 16.037 0 38  SER AAA OG  1 ? 
ATOM   316  N N   . LEU A 1 41  ? 8.774   5.436   18.888 1.000 10.822 0 39  LEU AAA N   1 ? 
ATOM   317  C CA  . LEU A 1 41  ? 8.023   6.154   19.942 1.000 10.670 0 39  LEU AAA CA  1 ? 
ATOM   318  C C   . LEU A 1 41  ? 8.629   5.858   21.290 1.000 12.044 0 39  LEU AAA C   1 ? 
ATOM   319  O O   . LEU A 1 41  ? 8.772   6.798   22.080 1.000 10.687 0 39  LEU AAA O   1 ? 
ATOM   320  C CB  . LEU A 1 41  ? 6.552   5.794   19.895 1.000 12.060 0 39  LEU AAA CB  1 ? 
ATOM   321  C CG  . LEU A 1 41  ? 5.740   6.537   18.845 1.000 12.992 0 39  LEU AAA CG  1 ? 
ATOM   322  C CD1 . LEU A 1 41  ? 4.377   5.847   18.672 1.000 16.072 0 39  LEU AAA CD1 1 ? 
ATOM   323  C CD2 . LEU A 1 41  ? 5.539   8.023   19.277 1.000 13.606 0 39  LEU AAA CD2 1 ? 
ATOM   324  N N   . ILE A 1 42  ? 8.869   4.587   21.613 1.000 11.337 0 40  ILE AAA N   1 ? 
ATOM   325  C CA  . ILE A 1 42  ? 9.252   4.255   23.012 1.000 11.678 0 40  ILE AAA CA  1 ? 
ATOM   326  C C   . ILE A 1 42  ? 10.656  4.805   23.282 1.000 11.930 0 40  ILE AAA C   1 ? 
ATOM   327  O O   . ILE A 1 42  ? 10.913  5.263   24.409 1.000 11.429 0 40  ILE AAA O   1 ? 
ATOM   328  C CB  . ILE A 1 42  ? 9.086   2.752   23.318 1.000 12.304 0 40  ILE AAA CB  1 ? 
ATOM   329  C CG1 . ILE A 1 42  ? 8.988   2.540   24.834 1.000 12.961 0 40  ILE AAA CG1 1 ? 
ATOM   330  C CG2 . ILE A 1 42  ? 10.184  1.908   22.703 1.000 12.847 0 40  ILE AAA CG2 1 ? 
ATOM   331  C CD1 . ILE A 1 42  ? 7.842   3.270   25.510 1.000 14.322 0 40  ILE AAA CD1 1 ? 
ATOM   332  N N   . ARG A 1 43  ? 11.539  4.840   22.299 1.000 10.970 0 41  ARG AAA N   1 ? 
ATOM   333  C CA  . ARG A 1 43  ? 12.891  5.403   22.491 1.000 11.266 0 41  ARG AAA CA  1 ? 
ATOM   334  C C   . ARG A 1 43  ? 12.750  6.905   22.693 1.000 11.782 0 41  ARG AAA C   1 ? 
ATOM   335  O O   . ARG A 1 43  ? 13.432  7.473   23.539 1.000 11.212 0 41  ARG AAA O   1 ? 
ATOM   336  C CB  . ARG A 1 43  ? 13.816  5.037   21.330 1.000 11.470 0 41  ARG AAA CB  1 ? 
ATOM   337  C CG  . ARG A 1 43  ? 15.145  5.772   21.377 1.000 11.693 0 41  ARG AAA CG  1 ? 
ATOM   338  C CD  . ARG A 1 43  ? 16.045  5.414   22.566 1.000 12.132 0 41  ARG AAA CD  1 ? 
ATOM   339  N NE  . ARG A 1 43  ? 17.194  6.334   22.631 1.000 14.545 0 41  ARG AAA NE  1 ? 
ATOM   340  C CZ  . ARG A 1 43  ? 18.377  6.213   22.000 1.000 15.694 0 41  ARG AAA CZ  1 ? 
ATOM   341  N NH1 . ARG A 1 43  ? 19.323  7.105   22.245 1.000 17.671 0 41  ARG AAA NH1 1 ? 
ATOM   342  N NH2 . ARG A 1 43  ? 18.608  5.232   21.147 1.000 16.580 0 41  ARG AAA NH2 1 ? 
ATOM   343  N N   . TYR A 1 44  ? 11.887  7.546   21.897 1.000 11.787 0 42  TYR AAA N   1 ? 
ATOM   344  C CA  . TYR A 1 44  ? 11.609  8.995   22.060 1.000 10.479 0 42  TYR AAA CA  1 ? 
ATOM   345  C C   . TYR A 1 44  ? 11.101  9.281   23.472 1.000 10.790 0 42  TYR AAA C   1 ? 
ATOM   346  O O   . TYR A 1 44  ? 11.599  10.214  24.105 1.000 11.350 0 42  TYR AAA O   1 ? 
ATOM   347  C CB  . TYR A 1 44  ? 10.709  9.473   20.914 1.000 10.155 0 42  TYR AAA CB  1 ? 
ATOM   348  C CG  . TYR A 1 44  ? 10.418  10.951  20.929 1.000 10.516 0 42  TYR AAA CG  1 ? 
ATOM   349  C CD1 . TYR A 1 44  ? 11.395  11.900  21.190 1.000 10.607 0 42  TYR AAA CD1 1 ? 
ATOM   350  C CD2 . TYR A 1 44  ? 9.143   11.421  20.725 1.000 12.048 0 42  TYR AAA CD2 1 ? 
ATOM   351  C CE1 . TYR A 1 44  ? 11.122  13.273  21.182 1.000 10.572 0 42  TYR AAA CE1 1 ? 
ATOM   352  C CE2 . TYR A 1 44  ? 8.861   12.776  20.731 1.000 11.363 0 42  TYR AAA CE2 1 ? 
ATOM   353  C CZ  . TYR A 1 44  ? 9.843   13.723  20.982 1.000 10.717 0 42  TYR AAA CZ  1 ? 
ATOM   354  O OH  . TYR A 1 44  ? 9.559   15.082  20.998 1.000 12.413 0 42  TYR AAA OH  1 ? 
ATOM   355  N N   . VAL A 1 45  ? 10.159  8.495   23.967 1.000 10.614 0 43  VAL AAA N   1 ? 
ATOM   356  C CA  . VAL A 1 45  ? 9.637   8.688   25.355 1.000 10.977 0 43  VAL AAA CA  1 ? 
ATOM   357  C C   . VAL A 1 45  ? 10.775  8.547   26.373 1.000 12.552 0 43  VAL AAA C   1 ? 
ATOM   358  O O   . VAL A 1 45  ? 10.849  9.361   27.328 1.000 12.116 0 43  VAL AAA O   1 ? 
ATOM   359  C CB  . VAL A 1 45  ? 8.462   7.740   25.650 1.000 11.370 0 43  VAL AAA CB  1 ? 
ATOM   360  C CG1 . VAL A 1 45  ? 8.137   7.725   27.166 1.000 12.522 0 43  VAL AAA CG1 1 ? 
ATOM   361  C CG2 . VAL A 1 45  ? 7.284   8.142   24.795 1.000 10.776 0 43  VAL AAA CG2 1 ? 
ATOM   362  N N   . GLU A 1 46  ? 11.626  7.549   26.228 1.000 12.000 0 44  GLU AAA N   1 ? 
ATOM   363  C CA  . GLU A 1 46  ? 12.753  7.310   27.151 1.000 13.332 0 44  GLU AAA CA  1 ? 
ATOM   364  C C   . GLU A 1 46  ? 13.660  8.533   27.106 1.000 13.110 0 44  GLU AAA C   1 ? 
ATOM   365  O O   . GLU A 1 46  ? 14.056  9.050   28.168 1.000 12.914 0 44  GLU AAA O   1 ? 
ATOM   366  C CB  . GLU A 1 46  ? 13.545  6.056   26.768 1.000 15.403 0 44  GLU AAA CB  1 ? 
ATOM   367  C CG  . GLU A 1 46  ? 14.761  5.824   27.659 1.000 16.330 0 44  GLU AAA CG  1 ? 
ATOM   368  C CD  . GLU A 1 46  ? 15.622  4.593   27.391 1.000 19.494 0 44  GLU AAA CD  1 ? 
ATOM   369  O OE1 . GLU A 1 46  ? 15.550  4.044   26.252 1.000 18.933 0 44  GLU AAA OE1 1 ? 
ATOM   370  O OE2 . GLU A 1 46  ? 16.438  4.230   28.318 1.000 18.458 0 44  GLU AAA OE2 1 ? 
ATOM   371  N N   . ASN A 1 47  ? 13.980  9.040   25.916 1.000 11.594 0 45  ASN AAA N   1 ? 
ATOM   372  C CA  . ASN A 1 47  ? 14.877  10.214  25.780 1.000 11.743 0 45  ASN AAA CA  1 ? 
ATOM   373  C C   . ASN A 1 47  ? 14.197  11.397  26.469 1.000 10.674 0 45  ASN AAA C   1 ? 
ATOM   374  O O   . ASN A 1 47  ? 14.870  12.188  27.148 1.000 13.182 0 45  ASN AAA O   1 ? 
ATOM   375  C CB  . ASN A 1 47  ? 15.143  10.517  24.310 1.000 11.602 0 45  ASN AAA CB  1 ? 
ATOM   376  C CG  . ASN A 1 47  ? 15.936  9.448   23.593 1.000 12.899 0 45  ASN AAA CG  1 ? 
ATOM   377  O OD1 . ASN A 1 47  ? 16.504  8.536   24.190 1.000 15.359 0 45  ASN AAA OD1 1 ? 
ATOM   378  N ND2 . ASN A 1 47  ? 15.876  9.530   22.275 1.000 13.730 0 45  ASN AAA ND2 1 ? 
ATOM   379  N N   . ASN A 1 48  ? 12.894  11.551  26.289 1.000 11.149 0 46  ASN AAA N   1 ? 
ATOM   380  C CA  . ASN A 1 48  ? 12.119  12.683  26.884 1.000 10.828 0 46  ASN AAA CA  1 ? 
ATOM   381  C C   . ASN A 1 48  ? 12.201  12.589  28.406 1.000 11.748 0 46  ASN AAA C   1 ? 
ATOM   382  O O   . ASN A 1 48  ? 12.377  13.619  29.076 1.000 11.809 0 46  ASN AAA O   1 ? 
ATOM   383  C CB  . ASN A 1 48  ? 10.678  12.705  26.404 1.000 11.526 0 46  ASN AAA CB  1 ? 
ATOM   384  C CG  . ASN A 1 48  ? 10.539  13.091  24.949 1.000 11.812 0 46  ASN AAA CG  1 ? 
ATOM   385  O OD1 . ASN A 1 48  ? 11.425  13.718  24.417 1.000 13.556 0 46  ASN AAA OD1 1 ? 
ATOM   386  N ND2 . ASN A 1 48  ? 9.385   12.793  24.389 1.000 11.862 0 46  ASN AAA ND2 1 ? 
ATOM   387  N N   . LYS A 1 49  ? 12.033  11.386  28.962 1.000 11.472 0 47  LYS AAA N   1 ? 
ATOM   388  C CA  . LYS A 1 49  ? 12.115  11.219  30.441 1.000 12.278 0 47  LYS AAA CA  1 ? 
ATOM   389  C C   . LYS A 1 49  ? 13.493  11.645  30.924 1.000 13.547 0 47  LYS AAA C   1 ? 
ATOM   390  O O   . LYS A 1 49  ? 13.557  12.362  31.966 1.000 14.941 0 47  LYS AAA O   1 ? 
ATOM   391  C CB  . LYS A 1 49  ? 11.790  9.774   30.810 1.000 14.356 0 47  LYS AAA CB  1 ? 
ATOM   392  C CG  . LYS A 1 49  ? 10.312  9.455   30.725 1.000 16.114 0 47  LYS AAA CG  1 ? 
ATOM   393  C CD  . LYS A 1 49  ? 10.045  7.989   31.004 1.000 19.979 0 47  LYS AAA CD  1 ? 
ATOM   394  C CE  . LYS A 1 49  ? 8.583   7.641   31.071 1.000 22.957 0 47  LYS AAA CE  1 ? 
ATOM   395  N NZ  . LYS A 1 49  ? 8.367   6.209   31.422 1.000 26.362 0 47  LYS AAA NZ  1 ? 
ATOM   396  N N   . ASN A 1 50  ? 14.554  11.248  30.232 1.000 12.650 0 48  ASN AAA N   1 ? 
ATOM   397  C CA  . ASN A 1 50  ? 15.931  11.590  30.658 1.000 14.465 0 48  ASN AAA CA  1 ? 
ATOM   398  C C   . ASN A 1 50  ? 16.166  13.095  30.543 1.000 16.170 0 48  ASN AAA C   1 ? 
ATOM   399  O O   . ASN A 1 50  ? 17.121  13.590  31.152 1.000 19.193 0 48  ASN AAA O   1 ? 
ATOM   400  C CB  . ASN A 1 50  ? 16.966  10.850  29.826 1.000 16.609 0 48  ASN AAA CB  1 ? 
ATOM   401  C CG  . ASN A 1 50  ? 16.961  9.390   30.184 1.000 21.904 0 48  ASN AAA CG  1 ? 
ATOM   402  O OD1 . ASN A 1 50  ? 16.630  9.051   31.313 1.000 27.942 0 48  ASN AAA OD1 1 ? 
ATOM   403  N ND2 . ASN A 1 50  ? 17.315  8.541   29.232 1.000 24.702 0 48  ASN AAA ND2 1 ? 
ATOM   404  N N   . ALA A 1 51  ? 15.381  13.792  29.713 1.000 15.005 0 49  ALA AAA N   1 ? 
ATOM   405  C CA  . ALA A 1 51  ? 15.511  15.243  29.427 1.000 14.150 0 49  ALA AAA CA  1 ? 
ATOM   406  C C   . ALA A 1 51  ? 14.556  16.076  30.315 1.000 12.869 0 49  ALA AAA C   1 ? 
ATOM   407  O O   . ALA A 1 51  ? 14.434  17.273  30.083 1.000 13.476 0 49  ALA AAA O   1 ? 
ATOM   408  C CB  . ALA A 1 51  ? 15.246  15.471  27.972 1.000 16.595 0 49  ALA AAA CB  1 ? 
ATOM   409  N N   . ASP A 1 52  ? 13.893  15.467  31.285 1.000 12.998 0 50  ASP AAA N   1 ? 
ATOM   410  C CA  . ASP A 1 52  ? 12.817  16.101  32.092 1.000 14.183 0 50  ASP AAA CA  1 ? 
ATOM   411  C C   . ASP A 1 52  ? 11.809  16.795  31.156 1.000 12.548 0 50  ASP AAA C   1 ? 
ATOM   412  O O   . ASP A 1 52  ? 11.332  17.909  31.459 1.000 12.685 0 50  ASP AAA O   1 ? 
ATOM   413  C CB  . ASP A 1 52  ? 13.419  17.063  33.125 1.000 16.477 0 50  ASP AAA CB  1 ? 
ATOM   414  C CG  . ASP A 1 52  ? 12.389  17.608  34.100 1.000 19.368 0 50  ASP AAA CG  1 ? 
ATOM   415  O OD1 . ASP A 1 52  ? 11.497  16.817  34.513 1.000 19.823 0 50  ASP AAA OD1 1 ? 
ATOM   416  O OD2 . ASP A 1 52  ? 12.465  18.801  34.433 1.000 20.767 0 50  ASP AAA OD2 1 ? 
ATOM   417  N N   . ASN A 1 53  ? 11.466  16.131  30.040 1.000 12.550 0 51  ASN AAA N   1 ? 
ATOM   418  C CA  . ASN A 1 53  ? 10.471  16.652  29.077 1.000 12.115 0 51  ASN AAA CA  1 ? 
ATOM   419  C C   . ASN A 1 53  ? 9.567   15.515  28.627 1.000 12.214 0 51  ASN AAA C   1 ? 
ATOM   420  O O   . ASN A 1 53  ? 9.346   15.351  27.417 1.000 12.019 0 51  ASN AAA O   1 ? 
ATOM   421  C CB  . ASN A 1 53  ? 11.176  17.356  27.920 1.000 13.381 0 51  ASN AAA CB  1 ? 
ATOM   422  C CG  . ASN A 1 53  ? 10.207  18.228  27.190 1.000 14.004 0 51  ASN AAA CG  1 ? 
ATOM   423  O OD1 . ASN A 1 53  ? 9.511   19.050  27.810 1.000 18.694 0 51  ASN AAA OD1 1 ? 
ATOM   424  N ND2 . ASN A 1 53  ? 10.154  18.105  25.888 1.000 12.930 0 51  ASN AAA ND2 1 ? 
ATOM   425  N N   . ASP A 1 54  ? 9.032   14.768  29.568 1.000 12.463 0 52  ASP AAA N   1 ? 
ATOM   426  C CA  . ASP A 1 54  ? 8.117   13.647  29.248 1.000 12.446 0 52  ASP AAA CA  1 ? 
ATOM   427  C C   . ASP A 1 54  ? 6.738   14.230  28.952 1.000 13.853 0 52  ASP AAA C   1 ? 
ATOM   428  O O   . ASP A 1 54  ? 5.917   14.298  29.847 1.000 15.494 0 52  ASP AAA O   1 ? 
ATOM   429  C CB  . ASP A 1 54  ? 8.072   12.661  30.395 1.000 13.607 0 52  ASP AAA CB  1 ? 
ATOM   430  C CG  . ASP A 1 54  ? 7.381   11.373  30.055 1.000 15.581 0 52  ASP AAA CG  1 ? 
ATOM   431  O OD1 . ASP A 1 54  ? 7.088   11.145  28.873 1.000 14.901 0 52  ASP AAA OD1 1 ? 
ATOM   432  O OD2 . ASP A 1 54  ? 7.109   10.646  31.039 1.000 17.028 0 52  ASP AAA OD2 1 ? 
ATOM   433  N N   . TRP A 1 55  ? 6.517   14.620  27.716 1.000 12.202 0 53  TRP AAA N   1 ? 
ATOM   434  C CA  . TRP A 1 55  ? 5.434   15.560  27.380 1.000 10.913 0 53  TRP AAA CA  1 ? 
ATOM   435  C C   . TRP A 1 55  ? 4.258   14.881  26.669 1.000 11.624 0 53  TRP AAA C   1 ? 
ATOM   436  O O   . TRP A 1 55  ? 3.294   15.589  26.315 1.000 10.914 0 53  TRP AAA O   1 ? 
ATOM   437  C CB  . TRP A 1 55  ? 5.982   16.692  26.522 1.000 10.469 0 53  TRP AAA CB  1 ? 
ATOM   438  C CG  . TRP A 1 55  ? 6.473   16.371  25.135 1.000 9.759  0 53  TRP AAA CG  1 ? 
ATOM   439  C CD1 . TRP A 1 55  ? 7.684   15.870  24.742 1.000 10.068 0 53  TRP AAA CD1 1 ? 
ATOM   440  C CD2 . TRP A 1 55  ? 5.708   16.528  23.923 1.000 10.314 0 53  TRP AAA CD2 1 ? 
ATOM   441  N NE1 . TRP A 1 55  ? 7.733   15.728  23.379 1.000 9.640  0 53  TRP AAA NE1 1 ? 
ATOM   442  C CE2 . TRP A 1 55  ? 6.554   16.187  22.862 1.000 9.414  0 53  TRP AAA CE2 1 ? 
ATOM   443  C CE3 . TRP A 1 55  ? 4.426   17.007  23.635 1.000 10.677 0 53  TRP AAA CE3 1 ? 
ATOM   444  C CZ2 . TRP A 1 55  ? 6.137   16.229  21.541 1.000 9.970  0 53  TRP AAA CZ2 1 ? 
ATOM   445  C CZ3 . TRP A 1 55  ? 4.006   17.045  22.321 1.000 10.498 0 53  TRP AAA CZ3 1 ? 
ATOM   446  C CH2 . TRP A 1 55  ? 4.884   16.716  21.297 1.000 10.668 0 53  TRP AAA CH2 1 ? 
ATOM   447  N N   . PHE A 1 56  ? 4.257   13.575  26.434 1.000 11.410 0 54  PHE AAA N   1 ? 
ATOM   448  C CA  . PHE A 1 56  ? 3.062   12.955  25.833 1.000 12.122 0 54  PHE AAA CA  1 ? 
ATOM   449  C C   . PHE A 1 56  ? 2.998   11.468  26.153 1.000 12.319 0 54  PHE AAA C   1 ? 
ATOM   450  O O   . PHE A 1 56  ? 4.019   10.851  26.458 1.000 11.924 0 54  PHE AAA O   1 ? 
ATOM   451  C CB  . PHE A 1 56  ? 3.048   13.121  24.303 1.000 11.748 0 54  PHE AAA CB  1 ? 
ATOM   452  C CG  . PHE A 1 56  ? 4.029   12.210  23.596 1.000 11.797 0 54  PHE AAA CG  1 ? 
ATOM   453  C CD1 . PHE A 1 56  ? 3.599   10.976  23.124 1.000 12.310 0 54  PHE AAA CD1 1 ? 
ATOM   454  C CD2 . PHE A 1 56  ? 5.366   12.551  23.428 1.000 13.459 0 54  PHE AAA CD2 1 ? 
ATOM   455  C CE1 . PHE A 1 56  ? 4.476   10.108  22.512 1.000 12.346 0 54  PHE AAA CE1 1 ? 
ATOM   456  C CE2 . PHE A 1 56  ? 6.251   11.665  22.832 1.000 14.180 0 54  PHE AAA CE2 1 ? 
ATOM   457  C CZ  . PHE A 1 56  ? 5.798   10.445  22.374 1.000 13.745 0 54  PHE AAA CZ  1 ? 
ATOM   458  N N   . ARG A 1 57  ? 1.800   10.942  25.957 1.000 11.954 0 55  ARG AAA N   1 ? 
ATOM   459  C CA  . ARG A 1 57  ? 1.497   9.489   25.929 1.000 13.764 0 55  ARG AAA CA  1 ? 
ATOM   460  C C   . ARG A 1 57  ? 0.608   9.234   24.714 1.000 13.240 0 55  ARG AAA C   1 ? 
ATOM   461  O O   . ARG A 1 57  ? -0.293  10.055  24.422 1.000 13.919 0 55  ARG AAA O   1 ? 
ATOM   462  C CB  . ARG A 1 57  ? 0.791   9.101   27.225 1.000 13.420 0 55  ARG AAA CB  1 ? 
ATOM   463  C CG  . ARG A 1 57  ? 1.706   9.030   28.425 1.000 15.773 0 55  ARG AAA CG  1 ? 
ATOM   464  C CD  . ARG A 1 57  ? 2.634   7.834   28.374 1.000 14.773 0 55  ARG AAA CD  1 ? 
ATOM   465  N NE  . ARG A 1 57  ? 3.487   7.833   29.569 1.000 18.445 0 55  ARG AAA NE  1 ? 
ATOM   466  C CZ  . ARG A 1 57  ? 4.589   8.571   29.681 1.000 17.651 0 55  ARG AAA CZ  1 ? 
ATOM   467  N NH1 . ARG A 1 57  ? 4.947   9.382   28.705 1.000 16.160 0 55  ARG AAA NH1 1 ? 
ATOM   468  N NH2 . ARG A 1 57  ? 5.320   8.542   30.783 1.000 19.645 0 55  ARG AAA NH2 1 ? 
ATOM   469  N N   . LEU A 1 58  ? 0.837   8.142   24.017 1.000 12.921 0 56  LEU AAA N   1 ? 
ATOM   470  C CA  . LEU A 1 58  ? -0.014  7.747   22.871 1.000 12.399 0 56  LEU AAA CA  1 ? 
ATOM   471  C C   . LEU A 1 58  ? -0.321  6.266   22.946 1.000 12.557 0 56  LEU AAA C   1 ? 
ATOM   472  O O   . LEU A 1 58  ? 0.574   5.478   23.361 1.000 13.001 0 56  LEU AAA O   1 ? 
ATOM   473  C CB  . LEU A 1 58  ? 0.653   8.042   21.538 1.000 12.382 0 56  LEU AAA CB  1 ? 
ATOM   474  C CG  . LEU A 1 58  ? 0.607   9.482   21.042 1.000 12.393 0 56  LEU AAA CG  1 ? 
ATOM   475  C CD1 . LEU A 1 58  ? 1.520   9.623   19.847 1.000 13.160 0 56  LEU AAA CD1 1 ? 
ATOM   476  C CD2 . LEU A 1 58  ? -0.803  9.956   20.696 1.000 12.216 0 56  LEU AAA CD2 1 ? 
ATOM   477  N N   . GLU A 1 59  ? -1.530  5.912   22.555 1.000 12.819 0 57  GLU AAA N   1 ? 
ATOM   478  C CA  . GLU A 1 59  ? -1.943  4.525   22.332 1.000 14.334 0 57  GLU AAA CA  1 ? 
ATOM   479  C C   . GLU A 1 59  ? -2.669  4.449   20.997 1.000 12.812 0 57  GLU AAA C   1 ? 
ATOM   480  O O   . GLU A 1 59  ? -3.056  5.461   20.398 1.000 12.522 0 57  GLU AAA O   1 ? 
ATOM   481  C CB  . GLU A 1 59  ? -2.747  3.984   23.499 1.000 18.745 0 57  GLU AAA CB  1 ? 
ATOM   482  C CG  . GLU A 1 59  ? -4.133  4.506   23.627 1.000 24.258 0 57  GLU AAA CG  1 ? 
ATOM   483  C CD  . GLU A 1 59  ? -4.640  4.099   25.009 1.000 30.543 0 57  GLU AAA CD  1 ? 
ATOM   484  O OE1 . GLU A 1 59  ? -4.949  2.922   25.180 1.000 32.040 0 57  GLU AAA OE1 1 ? 
ATOM   485  O OE2 . GLU A 1 59  ? -4.621  4.935   25.923 1.000 37.911 0 57  GLU AAA OE2 1 ? 
ATOM   486  N N   . SER A 1 60  ? -2.784  3.237   20.492 1.000 13.204 0 58  SER AAA N   1 ? 
ATOM   487  C CA  . SER A 1 60  ? -3.501  3.011   19.234 1.000 11.766 0 58  SER AAA CA  1 ? 
ATOM   488  C C   . SER A 1 60  ? -4.559  1.941   19.442 1.000 11.585 0 58  SER AAA C   1 ? 
ATOM   489  O O   . SER A 1 60  ? -4.545  1.182   20.445 1.000 13.165 0 58  SER AAA O   1 ? 
ATOM   490  C CB  . SER A 1 60  ? -2.593  2.621   18.074 1.000 12.381 0 58  SER AAA CB  1 ? 
ATOM   491  O OG  . SER A 1 60  ? -2.129  1.285   18.143 1.000 12.433 0 58  SER AAA OG  1 ? 
ATOM   492  N N   . ASN A 1 61  ? -5.453  1.897   18.484 1.000 11.389 0 59  ASN AAA N   1 ? 
ATOM   493  C CA  . ASN A 1 61  ? -6.351  0.746   18.341 1.000 11.371 0 59  ASN AAA CA  1 ? 
ATOM   494  C C   . ASN A 1 61  ? -5.545  -0.490  17.945 1.000 12.277 0 59  ASN AAA C   1 ? 
ATOM   495  O O   . ASN A 1 61  ? -4.309  -0.449  17.686 1.000 11.794 0 59  ASN AAA O   1 ? 
ATOM   496  C CB  . ASN A 1 61  ? -7.479  1.077   17.375 1.000 11.531 0 59  ASN AAA CB  1 ? 
ATOM   497  C CG  . ASN A 1 61  ? -7.025  1.343   15.968 1.000 12.651 0 59  ASN AAA CG  1 ? 
ATOM   498  O OD1 . ASN A 1 61  ? -5.836  1.362   15.645 1.000 12.016 0 59  ASN AAA OD1 1 ? 
ATOM   499  N ND2 . ASN A 1 61  ? -8.003  1.656   15.132 1.000 14.014 0 59  ASN AAA ND2 1 ? 
ATOM   500  N N   . LYS A 1 62  ? -6.207  -1.641  17.874 1.000 12.334 0 60  LYS AAA N   1 ? 
ATOM   501  C CA  . LYS A 1 62  ? -5.454  -2.877  17.594 1.000 13.036 0 60  LYS AAA CA  1 ? 
ATOM   502  C C   . LYS A 1 62  ? -4.729  -2.782  16.251 1.000 13.312 0 60  LYS AAA C   1 ? 
ATOM   503  O O   . LYS A 1 62  ? -3.565  -3.276  16.176 1.000 14.245 0 60  LYS AAA O   1 ? 
ATOM   504  C CB  . LYS A 1 62  ? -6.426  -4.048  17.512 1.000 14.099 0 60  LYS AAA CB  1 ? 
ATOM   505  C CG  . LYS A 1 62  ? -5.771  -5.376  17.151 1.000 17.515 0 60  LYS AAA CG  1 ? 
ATOM   506  C CD  . LYS A 1 62  ? -6.756  -6.542  17.221 1.000 21.743 0 60  LYS AAA CD  1 ? 
ATOM   507  C CE  . LYS A 1 62  ? -6.088  -7.864  16.881 1.000 26.052 0 60  LYS AAA CE  1 ? 
ATOM   508  N NZ  . LYS A 1 62  ? -6.967  -9.004  17.263 1.000 33.204 0 60  LYS AAA NZ  1 ? 
ATOM   509  N N   . GLU A 1 63  ? -5.359  -2.231  15.202 1.000 12.393 0 61  GLU AAA N   1 ? 
ATOM   510  C CA  . GLU A 1 63  ? -4.788  -2.178  13.844 1.000 14.136 0 61  GLU AAA CA  1 ? 
ATOM   511  C C   . GLU A 1 63  ? -3.767  -1.051  13.692 1.000 13.932 0 61  GLU AAA C   1 ? 
ATOM   512  O O   . GLU A 1 63  ? -3.109  -0.986  12.650 1.000 15.484 0 61  GLU AAA O   1 ? 
ATOM   513  C CB  . GLU A 1 63  ? -5.863  -2.108  12.777 1.000 16.515 0 61  GLU AAA CB  1 ? 
ATOM   514  C CG  . GLU A 1 63  ? -6.770  -3.350  12.810 1.000 19.856 0 61  GLU AAA CG  1 ? 
ATOM   515  C CD  . GLU A 1 63  ? -6.077  -4.670  12.509 1.000 27.248 0 61  GLU AAA CD  1 ? 
ATOM   516  O OE1 . GLU A 1 63  ? -5.186  -4.658  11.613 1.000 34.050 0 61  GLU AAA OE1 1 ? 
ATOM   517  O OE2 . GLU A 1 63  ? -6.395  -5.695  13.181 1.000 32.356 0 61  GLU AAA OE2 1 ? 
ATOM   518  N N   . GLY A 1 64  ? -3.589  -0.213  14.709 1.000 12.054 0 62  GLY AAA N   1 ? 
ATOM   519  C CA  . GLY A 1 64  ? -2.603  0.878   14.637 1.000 12.922 0 62  GLY AAA CA  1 ? 
ATOM   520  C C   . GLY A 1 64  ? -3.027  2.006   13.698 1.000 13.043 0 62  GLY AAA C   1 ? 
ATOM   521  O O   . GLY A 1 64  ? -2.144  2.748   13.248 1.000 13.855 0 62  GLY AAA O   1 ? 
ATOM   522  N N   . THR A 1 65  ? -4.310  2.151   13.389 1.000 12.675 0 63  THR AAA N   1 ? 
ATOM   523  C CA  . THR A 1 65  ? -4.840  3.118   12.402 1.000 13.688 0 63  THR AAA CA  1 ? 
ATOM   524  C C   . THR A 1 65  ? -5.478  4.319   13.063 1.000 12.877 0 63  THR AAA C   1 ? 
ATOM   525  O O   . THR A 1 65  ? -5.738  5.318   12.390 1.000 14.734 0 63  THR AAA O   1 ? 
ATOM   526  C CB  . THR A 1 65  ? -5.821  2.423   11.463 1.000 15.056 0 63  THR AAA CB  1 ? 
ATOM   527  O OG1 . THR A 1 65  ? -6.916  1.978   12.268 1.000 14.390 0 63  THR AAA OG1 1 ? 
ATOM   528  C CG2 . THR A 1 65  ? -5.139  1.305   10.709 1.000 16.104 0 63  THR AAA CG2 1 ? 
ATOM   529  N N   . ARG A 1 66  ? -5.718  4.248   14.356 1.000 12.274 0 64  ARG AAA N   1 ? 
ATOM   530  C CA  . ARG A 1 66  ? -6.260  5.367   15.146 1.000 13.449 0 64  ARG AAA CA  1 ? 
ATOM   531  C C   . ARG A 1 66  ? -5.440  5.501   16.411 1.000 12.106 0 64  ARG AAA C   1 ? 
ATOM   532  O O   . ARG A 1 66  ? -5.195  4.471   17.101 1.000 13.579 0 64  ARG AAA O   1 ? 
ATOM   533  C CB  . ARG A 1 66  ? -7.700  5.130   15.570 1.000 15.783 0 64  ARG AAA CB  1 ? 
ATOM   534  C CG  . ARG A 1 66  ? -8.675  5.064   14.408 1.000 20.016 0 64  ARG AAA CG  1 ? 
ATOM   535  C CD  . ARG A 1 66  ? -8.980  6.456   13.921 1.000 25.743 0 64  ARG AAA CD  1 ? 
ATOM   536  N NE  . ARG A 1 66  ? -9.970  6.563   12.850 1.000 31.344 0 64  ARG AAA NE  1 ? 
ATOM   537  C CZ  . ARG A 1 66  ? -9.774  6.268   11.567 1.000 36.330 0 64  ARG AAA CZ  1 ? 
ATOM   538  N NH1 . ARG A 1 66  ? -8.617  5.765   11.132 1.000 35.716 0 64  ARG AAA NH1 1 ? 
ATOM   539  N NH2 . ARG A 1 66  ? -10.755 6.517   10.707 1.000 39.208 0 64  ARG AAA NH2 1 ? 
ATOM   540  N N   . TRP A 1 67  ? -4.900  6.704   16.611 1.000 11.510 0 65  TRP AAA N   1 ? 
ATOM   541  C CA  . TRP A 1 67  ? -4.037  7.029   17.754 1.000 11.957 0 65  TRP AAA CA  1 ? 
ATOM   542  C C   . TRP A 1 67  ? -4.674  8.077   18.636 1.000 12.337 0 65  TRP AAA C   1 ? 
ATOM   543  O O   . TRP A 1 67  ? -5.398  8.967   18.159 1.000 12.321 0 65  TRP AAA O   1 ? 
ATOM   544  C CB  . TRP A 1 67  ? -2.675  7.510   17.258 1.000 11.451 0 65  TRP AAA CB  1 ? 
ATOM   545  C CG  . TRP A 1 67  ? -1.935  6.430   16.549 1.000 11.090 0 65  TRP AAA CG  1 ? 
ATOM   546  C CD1 . TRP A 1 67  ? -2.151  5.929   15.297 1.000 11.968 0 65  TRP AAA CD1 1 ? 
ATOM   547  C CD2 . TRP A 1 67  ? -0.879  5.645   17.120 1.000 11.148 0 65  TRP AAA CD2 1 ? 
ATOM   548  N NE1 . TRP A 1 67  ? -1.302  4.890   15.065 1.000 12.778 0 65  TRP AAA NE1 1 ? 
ATOM   549  C CE2 . TRP A 1 67  ? -0.500  4.698   16.159 1.000 11.434 0 65  TRP AAA CE2 1 ? 
ATOM   550  C CE3 . TRP A 1 67  ? -0.222  5.648   18.352 1.000 11.829 0 65  TRP AAA CE3 1 ? 
ATOM   551  C CZ2 . TRP A 1 67  ? 0.524   3.766   16.379 1.000 12.489 0 65  TRP AAA CZ2 1 ? 
ATOM   552  C CZ3 . TRP A 1 67  ? 0.775   4.720   18.569 1.000 13.046 0 65  TRP AAA CZ3 1 ? 
ATOM   553  C CH2 . TRP A 1 67  ? 1.142   3.797   17.598 1.000 12.941 0 65  TRP AAA CH2 1 ? 
ATOM   554  N N   . PHE A 1 68  ? -4.444  7.958   19.928 1.000 13.554 0 66  PHE AAA N   1 ? 
ATOM   555  C CA  . PHE A 1 68  ? -5.046  8.926   20.855 1.000 14.658 0 66  PHE AAA CA  1 ? 
ATOM   556  C C   . PHE A 1 68  ? -4.211  8.926   22.102 1.000 13.682 0 66  PHE AAA C   1 ? 
ATOM   557  O O   . PHE A 1 68  ? -3.506  7.951   22.404 1.000 13.585 0 66  PHE AAA O   1 ? 
ATOM   558  C CB  . PHE A 1 68  ? -6.512  8.582   21.135 1.000 15.297 0 66  PHE AAA CB  1 ? 
ATOM   559  C CG  . PHE A 1 68  ? -6.758  7.150   21.497 1.000 19.508 0 66  PHE AAA CG  1 ? 
ATOM   560  C CD1 . PHE A 1 68  ? -6.795  6.768   22.817 1.000 25.492 0 66  PHE AAA CD1 1 ? 
ATOM   561  C CD2 . PHE A 1 68  ? -6.936  6.189   20.518 1.000 23.111 0 66  PHE AAA CD2 1 ? 
ATOM   562  C CE1 . PHE A 1 68  ? -7.057  5.444   23.159 1.000 28.079 0 66  PHE AAA CE1 1 ? 
ATOM   563  C CE2 . PHE A 1 68  ? -7.181  4.865   20.860 1.000 26.648 0 66  PHE AAA CE2 1 ? 
ATOM   564  C CZ  . PHE A 1 68  ? -7.214  4.494   22.178 1.000 26.760 0 66  PHE AAA CZ  1 ? 
ATOM   565  N N   . GLY A 1 69  ? -4.282  10.032  22.822 1.000 11.619 0 67  GLY AAA N   1 ? 
ATOM   566  C CA  . GLY A 1 69  ? -3.570  10.157  24.078 1.000 13.067 0 67  GLY AAA CA  1 ? 
ATOM   567  C C   . GLY A 1 69  ? -3.635  11.561  24.582 1.000 11.104 0 67  GLY AAA C   1 ? 
ATOM   568  O O   . GLY A 1 69  ? -4.650  12.242  24.415 1.000 11.679 0 67  GLY AAA O   1 ? 
ATOM   569  N N   . LYS A 1 70  ? -2.533  11.957  25.204 1.000 12.376 0 68  LYS AAA N   1 ? 
ATOM   570  C CA  . LYS A 1 70  ? -2.427  13.236  25.952 1.000 12.775 0 68  LYS AAA CA  1 ? 
ATOM   571  C C   . LYS A 1 70  ? -1.090  13.876  25.668 1.000 12.915 0 68  LYS AAA C   1 ? 
ATOM   572  O O   . LYS A 1 70  ? -0.073  13.148  25.541 1.000 13.791 0 68  LYS AAA O   1 ? 
ATOM   573  C CB  . LYS A 1 70  ? -2.583  12.964  27.454 1.000 16.094 0 68  LYS AAA CB  1 ? 
ATOM   574  C CG  . LYS A 1 70  ? -3.967  12.480  27.840 1.000 19.526 0 68  LYS AAA CG  1 ? 
ATOM   575  C CD  . LYS A 1 70  ? -4.170  12.325  29.320 1.000 23.775 0 68  LYS AAA CD  1 ? 
ATOM   576  C CE  . LYS A 1 70  ? -5.626  12.038  29.643 1.000 26.688 0 68  LYS AAA CE  1 ? 
ATOM   577  N NZ  . LYS A 1 70  ? -5.801  11.620  31.055 1.000 35.911 0 68  LYS AAA NZ  1 ? 
ATOM   578  N N   . CYS A 1 71  ? -1.056  15.193  25.658 1.000 12.454 0 69  CYS AAA N   1 ? 
ATOM   579  C CA  . CYS A 1 71  ? 0.225   15.909  25.751 1.000 12.266 0 69  CYS AAA CA  1 ? 
ATOM   580  C C   . CYS A 1 71  ? 0.131   16.863  26.937 1.000 12.078 0 69  CYS AAA C   1 ? 
ATOM   581  O O   . CYS A 1 71  ? -0.990  17.212  27.353 1.000 11.841 0 69  CYS AAA O   1 ? 
ATOM   582  C CB  . CYS A 1 71  ? 0.563   16.619  24.447 1.000 12.639 0 69  CYS AAA CB  1 ? 
ATOM   583  S SG  . CYS A 1 71  ? -0.539  17.967  23.978 1.000 13.463 0 69  CYS AAA SG  1 ? 
ATOM   584  N N   . TRP A 1 72  ? 1.282   17.224  27.445 1.000 11.618 0 70  TRP AAA N   1 ? 
ATOM   585  C CA  . TRP A 1 72  ? 1.415   18.170  28.574 1.000 14.041 0 70  TRP AAA CA  1 ? 
ATOM   586  C C   . TRP A 1 72  ? 2.290   19.315  28.092 1.000 13.369 0 70  TRP AAA C   1 ? 
ATOM   587  O O   . TRP A 1 72  ? 3.270   19.117  27.333 1.000 15.079 0 70  TRP AAA O   1 ? 
ATOM   588  C CB  . TRP A 1 72  ? 1.956   17.504  29.833 1.000 14.053 0 70  TRP AAA CB  1 ? 
ATOM   589  C CG  . TRP A 1 72  ? 1.033   16.445  30.332 1.000 15.667 0 70  TRP AAA CG  1 ? 
ATOM   590  C CD1 . TRP A 1 72  ? -0.068  16.631  31.112 1.000 17.424 0 70  TRP AAA CD1 1 ? 
ATOM   591  C CD2 . TRP A 1 72  ? 1.059   15.043  30.018 1.000 16.009 0 70  TRP AAA CD2 1 ? 
ATOM   592  N NE1 . TRP A 1 72  ? -0.708  15.434  31.340 1.000 17.054 0 70  TRP AAA NE1 1 ? 
ATOM   593  C CE2 . TRP A 1 72  ? -0.062  14.447  30.653 1.000 16.315 0 70  TRP AAA CE2 1 ? 
ATOM   594  C CE3 . TRP A 1 72  ? 1.895   14.241  29.238 1.000 17.121 0 70  TRP AAA CE3 1 ? 
ATOM   595  C CZ2 . TRP A 1 72  ? -0.371  13.093  30.521 1.000 16.998 0 70  TRP AAA CZ2 1 ? 
ATOM   596  C CZ3 . TRP A 1 72  ? 1.622   12.899  29.160 1.000 17.367 0 70  TRP AAA CZ3 1 ? 
ATOM   597  C CH2 . TRP A 1 72  ? 0.516   12.336  29.795 1.000 18.822 0 70  TRP AAA CH2 1 ? 
ATOM   598  N N   . TYR A 1 73  ? 1.973   20.500  28.564 1.000 11.940 0 71  TYR AAA N   1 ? 
ATOM   599  C CA  . TYR A 1 73  ? 2.743   21.714  28.240 1.000 10.997 0 71  TYR AAA CA  1 ? 
ATOM   600  C C   . TYR A 1 73  ? 2.934   22.492  29.533 1.000 12.178 0 71  TYR AAA C   1 ? 
ATOM   601  O O   . TYR A 1 73  ? 1.939   22.764  30.149 1.000 12.264 0 71  TYR AAA O   1 ? 
ATOM   602  C CB  . TYR A 1 73  ? 2.010   22.529  27.180 1.000 12.396 0 71  TYR AAA CB  1 ? 
ATOM   603  C CG  . TYR A 1 73  ? 2.850   23.677  26.716 1.000 12.307 0 71  TYR AAA CG  1 ? 
ATOM   604  C CD1 . TYR A 1 73  ? 3.859   23.478  25.783 1.000 13.523 0 71  TYR AAA CD1 1 ? 
ATOM   605  C CD2 . TYR A 1 73  ? 2.726   24.937  27.247 1.000 12.503 0 71  TYR AAA CD2 1 ? 
ATOM   606  C CE1 . TYR A 1 73  ? 4.731   24.491  25.419 1.000 13.885 0 71  TYR AAA CE1 1 ? 
ATOM   607  C CE2 . TYR A 1 73  ? 3.611   25.956  26.927 1.000 12.623 0 71  TYR AAA CE2 1 ? 
ATOM   608  C CZ  . TYR A 1 73  ? 4.622   25.740  25.995 1.000 13.528 0 71  TYR AAA CZ  1 ? 
ATOM   609  O OH  . TYR A 1 73  ? 5.535   26.704  25.656 1.000 14.156 0 71  TYR AAA OH  1 ? 
ATOM   610  N N   . ILE A 1 74  ? 4.155   22.925  29.783 1.000 12.075 0 72  ILE AAA N   1 ? 
ATOM   611  C CA  . ILE A 1 74  ? 4.485   23.672  31.015 1.000 13.403 0 72  ILE AAA CA  1 ? 
ATOM   612  C C   . ILE A 1 74  ? 4.615   25.137  30.657 1.000 12.081 0 72  ILE AAA C   1 ? 
ATOM   613  O O   . ILE A 1 74  ? 5.370   25.482  29.711 1.000 12.634 0 72  ILE AAA O   1 ? 
ATOM   614  C CB  . ILE A 1 74  ? 5.752   23.094  31.672 1.000 15.995 0 72  ILE AAA CB  1 ? 
ATOM   615  C CG1 . ILE A 1 74  ? 5.518   21.638  32.082 1.000 19.403 0 72  ILE AAA CG1 1 ? 
ATOM   616  C CG2 . ILE A 1 74  ? 6.129   23.970  32.864 1.000 17.674 0 72  ILE AAA CG2 1 ? 
ATOM   617  C CD1 . ILE A 1 74  ? 6.738   20.898  32.564 1.000 22.537 0 72  ILE AAA CD1 1 ? 
ATOM   618  N N   . HIS A 1 75  ? 3.910   26.007  31.376 1.000 12.285 0 73  HIS AAA N   1 ? 
ATOM   619  C CA  . HIS A 1 75  ? 4.030   27.473  31.201 1.000 11.725 0 73  HIS AAA CA  1 ? 
ATOM   620  C C   . HIS A 1 75  ? 4.026   28.127  32.570 1.000 12.658 0 73  HIS AAA C   1 ? 
ATOM   621  O O   . HIS A 1 75  ? 3.047   27.942  33.296 1.000 12.792 0 73  HIS AAA O   1 ? 
ATOM   622  C CB  . HIS A 1 75  ? 2.921   27.999  30.284 1.000 12.432 0 73  HIS AAA CB  1 ? 
ATOM   623  C CG  . HIS A 1 75  ? 3.198   29.376  29.812 1.000 13.762 0 73  HIS AAA CG  1 ? 
ATOM   624  N ND1 . HIS A 1 75  ? 2.504   30.489  30.271 1.000 18.945 0 73  HIS AAA ND1 1 ? 
ATOM   625  C CD2 . HIS A 1 75  ? 4.127   29.814  28.940 1.000 15.000 0 73  HIS AAA CD2 1 ? 
ATOM   626  C CE1 . HIS A 1 75  ? 3.023   31.556  29.669 1.000 17.260 0 73  HIS AAA CE1 1 ? 
ATOM   627  N NE2 . HIS A 1 75  ? 3.990   31.160  28.832 1.000 18.573 0 73  HIS AAA NE2 1 ? 
ATOM   628  N N   . ASP A 1 76  ? 5.088   28.872  32.867 1.000 12.606 0 74  ASP AAA N   1 ? 
ATOM   629  C CA  . ASP A 1 76  ? 5.221   29.558  34.178 1.000 14.029 0 74  ASP AAA CA  1 ? 
ATOM   630  C C   . ASP A 1 76  ? 5.091   28.483  35.270 1.000 14.131 0 74  ASP AAA C   1 ? 
ATOM   631  O O   . ASP A 1 76  ? 4.400   28.728  36.290 1.000 12.703 0 74  ASP AAA O   1 ? 
ATOM   632  C CB  . ASP A 1 76  ? 4.202   30.710  34.280 1.000 13.757 0 74  ASP AAA CB  1 ? 
ATOM   633  C CG  . ASP A 1 76  ? 4.466   31.855  33.321 1.000 17.133 0 74  ASP AAA CG  1 ? 
ATOM   634  O OD1 . ASP A 1 76  ? 5.617   31.932  32.799 1.000 19.148 0 74  ASP AAA OD1 1 ? 
ATOM   635  O OD2 . ASP A 1 76  ? 3.541   32.611  33.057 1.000 17.959 0 74  ASP AAA OD2 1 ? 
ATOM   636  N N   . LEU A 1 77  ? 5.659   27.290  35.049 1.000 12.638 0 75  LEU AAA N   1 ? 
ATOM   637  C CA  . LEU A 1 77  ? 5.723   26.151  35.973 1.000 12.931 0 75  LEU AAA CA  1 ? 
ATOM   638  C C   . LEU A 1 77  ? 4.394   25.415  36.102 1.000 13.187 0 75  LEU AAA C   1 ? 
ATOM   639  O O   . LEU A 1 77  ? 4.425   24.312  36.654 1.000 15.581 0 75  LEU AAA O   1 ? 
ATOM   640  C CB  . LEU A 1 77  ? 6.287   26.592  37.334 1.000 13.339 0 75  LEU AAA CB  1 ? 
ATOM   641  C CG  . LEU A 1 77  ? 7.760   26.954  37.324 1.000 13.295 0 75  LEU AAA CG  1 ? 
ATOM   642  C CD1 . LEU A 1 77  ? 8.152   27.396  38.705 1.000 13.415 0 75  LEU AAA CD1 1 ? 
ATOM   643  C CD2 . LEU A 1 77  ? 8.607   25.772  36.912 1.000 13.517 0 75  LEU AAA CD2 1 ? 
ATOM   644  N N   . LEU A 1 78  ? 3.283   25.922  35.563 1.000 11.769 0 76  LEU AAA N   1 ? 
ATOM   645  C CA  . LEU A 1 78  ? 2.006   25.172  35.578 1.000 12.839 0 76  LEU AAA CA  1 ? 
ATOM   646  C C   . LEU A 1 78  ? 1.962   24.199  34.409 1.000 11.731 0 76  LEU AAA C   1 ? 
ATOM   647  O O   . LEU A 1 78  ? 2.343   24.589  33.297 1.000 12.866 0 76  LEU AAA O   1 ? 
ATOM   648  C CB  . LEU A 1 78  ? 0.816   26.127  35.538 1.000 12.012 0 76  LEU AAA CB  1 ? 
ATOM   649  C CG  . LEU A 1 78  ? 0.658   27.049  36.744 1.000 12.757 0 76  LEU AAA CG  1 ? 
ATOM   650  C CD1 . LEU A 1 78  ? -0.444  28.080  36.505 1.000 12.754 0 76  LEU AAA CD1 1 ? 
ATOM   651  C CD2 . LEU A 1 78  ? 0.425   26.222  37.988 1.000 13.239 0 76  LEU AAA CD2 1 ? 
ATOM   652  N N   . LYS A 1 79  ? 1.438   22.991  34.649 1.000 12.141 0 77  LYS AAA N   1 ? 
ATOM   653  C CA  . LYS A 1 79  ? 1.340   21.921  33.634 1.000 13.739 0 77  LYS AAA CA  1 ? 
ATOM   654  C C   . LYS A 1 79  ? -0.087  21.849  33.087 1.000 14.071 0 77  LYS AAA C   1 ? 
ATOM   655  O O   . LYS A 1 79  ? -1.027  21.733  33.893 1.000 15.738 0 77  LYS AAA O   1 ? 
ATOM   656  C CB  . LYS A 1 79  ? 1.695   20.575  34.261 1.000 15.497 0 77  LYS AAA CB  1 ? 
ATOM   657  C CG  . LYS A 1 79  ? 1.640   19.431  33.264 1.000 18.494 0 77  LYS AAA CG  1 ? 
ATOM   658  C CD  . LYS A 1 79  ? 2.473   18.192  33.583 1.000 22.446 0 77  LYS AAA CD  1 ? 
ATOM   659  C CE  . LYS A 1 79  ? 2.947   18.055  34.999 1.000 29.730 0 77  LYS AAA CE  1 ? 
ATOM   660  N NZ  . LYS A 1 79  ? 3.371   16.655  35.254 1.000 34.205 0 77  LYS AAA NZ  1 ? 
ATOM   661  N N   . TYR A 1 80  ? -0.240  22.001  31.785 1.000 12.644 0 78  TYR AAA N   1 ? 
ATOM   662  C CA  . TYR A 1 80  ? -1.530  21.988  31.080 1.000 12.980 0 78  TYR AAA CA  1 ? 
ATOM   663  C C   . TYR A 1 80  ? -1.627  20.675  30.303 1.000 13.573 0 78  TYR AAA C   1 ? 
ATOM   664  O O   . TYR A 1 80  ? -0.631  20.293  29.656 1.000 15.239 0 78  TYR AAA O   1 ? 
ATOM   665  C CB  . TYR A 1 80  ? -1.572  23.153  30.102 1.000 12.561 0 78  TYR AAA CB  1 ? 
ATOM   666  C CG  . TYR A 1 80  ? -1.566  24.501  30.784 1.000 11.666 0 78  TYR AAA CG  1 ? 
ATOM   667  C CD1 . TYR A 1 80  ? -2.751  25.189  30.965 1.000 11.836 0 78  TYR AAA CD1 1 ? 
ATOM   668  C CD2 . TYR A 1 80  ? -0.413  25.066  31.275 1.000 12.519 0 78  TYR AAA CD2 1 ? 
ATOM   669  C CE1 . TYR A 1 80  ? -2.791  26.378  31.662 1.000 12.486 0 78  TYR AAA CE1 1 ? 
ATOM   670  C CE2 . TYR A 1 80  ? -0.428  26.299  31.900 1.000 13.343 0 78  TYR AAA CE2 1 ? 
ATOM   671  C CZ  . TYR A 1 80  ? -1.625  26.955  32.103 1.000 12.625 0 78  TYR AAA CZ  1 ? 
ATOM   672  O OH  . TYR A 1 80  ? -1.681  28.203  32.704 1.000 13.805 0 78  TYR AAA OH  1 ? 
ATOM   673  N N   . GLU A 1 81  ? -2.758  19.996  30.372 1.000 13.917 0 79  GLU AAA N   1 ? 
ATOM   674  C CA  . GLU A 1 81  ? -2.944  18.692  29.691 1.000 13.475 0 79  GLU AAA CA  1 ? 
ATOM   675  C C   . GLU A 1 81  ? -3.956  18.889  28.575 1.000 13.479 0 79  GLU AAA C   1 ? 
ATOM   676  O O   . GLU A 1 81  ? -4.957  19.576  28.794 1.000 13.671 0 79  GLU AAA O   1 ? 
ATOM   677  C CB  . GLU A 1 81  ? -3.431  17.660  30.685 1.000 13.985 0 79  GLU AAA CB  1 ? 
ATOM   678  C CG  . GLU A 1 81  ? -3.697  16.271  30.131 1.000 15.120 0 79  GLU AAA CG  1 ? 
ATOM   679  C CD  . GLU A 1 81  ? -4.199  15.327  31.214 1.000 17.915 0 79  GLU AAA CD  1 ? 
ATOM   680  O OE1 . GLU A 1 81  ? -3.398  14.997  32.105 1.000 19.471 0 79  GLU AAA OE1 1 ? 
ATOM   681  O OE2 . GLU A 1 81  ? -5.409  14.979  31.188 1.000 20.734 0 79  GLU AAA OE2 1 ? 
ATOM   682  N N   . PHE A 1 82  ? -3.693  18.312  27.400 1.000 11.877 0 80  PHE AAA N   1 ? 
ATOM   683  C CA  . PHE A 1 82  ? -4.618  18.352  26.257 1.000 12.389 0 80  PHE AAA CA  1 ? 
ATOM   684  C C   . PHE A 1 82  ? -4.720  16.941  25.685 1.000 12.569 0 80  PHE AAA C   1 ? 
ATOM   685  O O   . PHE A 1 82  ? -3.691  16.259  25.528 1.000 13.112 0 80  PHE AAA O   1 ? 
ATOM   686  C CB  . PHE A 1 82  ? -4.149  19.308  25.172 1.000 12.993 0 80  PHE AAA CB  1 ? 
ATOM   687  C CG  . PHE A 1 82  ? -3.812  20.680  25.678 1.000 13.230 0 80  PHE AAA CG  1 ? 
ATOM   688  C CD1 . PHE A 1 82  ? -4.804  21.632  25.856 1.000 14.387 0 80  PHE AAA CD1 1 ? 
ATOM   689  C CD2 . PHE A 1 82  ? -2.510  20.972  26.056 1.000 13.626 0 80  PHE AAA CD2 1 ? 
ATOM   690  C CE1 . PHE A 1 82  ? -4.470  22.888  26.346 1.000 16.114 0 80  PHE AAA CE1 1 ? 
ATOM   691  C CE2 . PHE A 1 82  ? -2.187  22.230  26.525 1.000 14.726 0 80  PHE AAA CE2 1 ? 
ATOM   692  C CZ  . PHE A 1 82  ? -3.176  23.167  26.719 1.000 14.628 0 80  PHE AAA CZ  1 ? 
ATOM   693  N N   . ASP A 1 83  ? -5.932  16.486  25.461 1.000 12.625 0 81  ASP AAA N   1 ? 
ATOM   694  C CA  . ASP A 1 83  ? -6.194  15.234  24.727 1.000 13.693 0 81  ASP AAA CA  1 ? 
ATOM   695  C C   . ASP A 1 83  ? -5.855  15.441  23.268 1.000 12.056 0 81  ASP AAA C   1 ? 
ATOM   696  O O   . ASP A 1 83  ? -6.197  16.500  22.713 1.000 13.942 0 81  ASP AAA O   1 ? 
ATOM   697  C CB  . ASP A 1 83  ? -7.656  14.840  24.898 1.000 16.246 0 81  ASP AAA CB  1 ? 
ATOM   698  C CG  . ASP A 1 83  ? -7.995  14.319  26.282 1.000 20.193 0 81  ASP AAA CG  1 ? 
ATOM   699  O OD1 . ASP A 1 83  ? -7.111  14.030  27.060 1.000 21.247 0 81  ASP AAA OD1 1 ? 
ATOM   700  O OD2 . ASP A 1 83  ? -9.187  14.116  26.528 1.000 32.737 0 81  ASP AAA OD2 1 ? 
ATOM   701  N N   . ILE A 1 84  ? -5.238  14.442  22.661 1.000 10.883 0 82  ILE AAA N   1 ? 
ATOM   702  C CA  . ILE A 1 84  ? -4.874  14.482  21.214 1.000 11.537 0 82  ILE AAA CA  1 ? 
ATOM   703  C C   . ILE A 1 84  ? -5.311  13.192  20.539 1.000 11.604 0 82  ILE AAA C   1 ? 
ATOM   704  O O   . ILE A 1 84  ? -5.486  12.155  21.206 1.000 12.353 0 82  ILE AAA O   1 ? 
ATOM   705  C CB  . ILE A 1 84  ? -3.357  14.686  21.052 1.000 12.311 0 82  ILE AAA CB  1 ? 
ATOM   706  C CG1 . ILE A 1 84  ? -2.536  13.566  21.706 1.000 12.668 0 82  ILE AAA CG1 1 ? 
ATOM   707  C CG2 . ILE A 1 84  ? -2.944  16.042  21.568 1.000 14.160 0 82  ILE AAA CG2 1 ? 
ATOM   708  C CD1 . ILE A 1 84  ? -1.029  13.675  21.460 1.000 13.991 0 82  ILE AAA CD1 1 ? 
ATOM   709  N N   . GLU A 1 85  ? -5.474  13.277  19.235 1.000 11.325 0 83  GLU AAA N   1 ? 
ATOM   710  C CA  . GLU A 1 85  ? -5.909  12.110  18.459 1.000 13.329 0 83  GLU AAA CA  1 ? 
ATOM   711  C C   . GLU A 1 85  ? -5.515  12.360  17.005 1.000 12.784 0 83  GLU AAA C   1 ? 
ATOM   712  O O   . GLU A 1 85  ? -5.407  13.498  16.541 1.000 13.612 0 83  GLU AAA O   1 ? 
ATOM   713  C CB  . GLU A 1 85  ? -7.394  11.820  18.679 1.000 15.064 0 83  GLU AAA CB  1 ? 
ATOM   714  C CG  . GLU A 1 85  ? -8.315  12.931  18.196 1.000 16.633 0 83  GLU AAA CG  1 ? 
ATOM   715  C CD  . GLU A 1 85  ? -9.793  12.700  18.502 1.000 20.380 0 83  GLU AAA CD  1 ? 
ATOM   716  O OE1 . GLU A 1 85  ? -10.159 12.495  19.632 1.000 21.288 0 83  GLU AAA OE1 1 ? 
ATOM   717  O OE2 . GLU A 1 85  ? -10.572 12.770  17.579 1.000 31.684 0 83  GLU AAA OE2 1 ? 
ATOM   718  N N   . PHE A 1 86  ? -5.429  11.257  16.264 1.000 11.774 0 84  PHE AAA N   1 ? 
ATOM   719  C CA  . PHE A 1 86  ? -5.264  11.312  14.806 1.000 11.552 0 84  PHE AAA CA  1 ? 
ATOM   720  C C   . PHE A 1 86  ? -5.549  9.940   14.205 1.000 12.728 0 84  PHE AAA C   1 ? 
ATOM   721  O O   . PHE A 1 86  ? -5.322  8.924   14.796 1.000 12.509 0 84  PHE AAA O   1 ? 
ATOM   722  C CB  . PHE A 1 86  ? -3.907  11.851  14.357 1.000 11.587 0 84  PHE AAA CB  1 ? 
ATOM   723  C CG  . PHE A 1 86  ? -2.713  11.191  14.993 1.000 11.428 0 84  PHE AAA CG  1 ? 
ATOM   724  C CD1 . PHE A 1 86  ? -2.091  10.119  14.376 1.000 11.422 0 84  PHE AAA CD1 1 ? 
ATOM   725  C CD2 . PHE A 1 86  ? -2.216  11.620  16.212 1.000 11.952 0 84  PHE AAA CD2 1 ? 
ATOM   726  C CE1 . PHE A 1 86  ? -0.999  9.508   14.961 1.000 12.278 0 84  PHE AAA CE1 1 ? 
ATOM   727  C CE2 . PHE A 1 86  ? -1.133  10.989  16.784 1.000 11.930 0 84  PHE AAA CE2 1 ? 
ATOM   728  C CZ  . PHE A 1 86  ? -0.514  9.955   16.147 1.000 12.949 0 84  PHE AAA CZ  1 ? 
ATOM   729  N N   . ASP A 1 87  ? -5.954  9.970   12.952 1.000 13.205 0 85  ASP AAA N   1 ? 
ATOM   730  C CA  . ASP A 1 87  ? -6.076  8.795   12.063 1.000 15.644 0 85  ASP AAA CA  1 ? 
ATOM   731  C C   . ASP A 1 87  ? -4.802  8.663   11.248 1.000 13.203 0 85  ASP AAA C   1 ? 
ATOM   732  O O   . ASP A 1 87  ? -4.116  9.665   10.925 1.000 13.624 0 85  ASP AAA O   1 ? 
ATOM   733  C CB  . ASP A 1 87  ? -7.197  8.945   11.033 1.000 19.317 0 85  ASP AAA CB  1 ? 
ATOM   734  C CG  . ASP A 1 87  ? -8.557  9.291   11.595 1.000 28.306 0 85  ASP AAA CG  1 ? 
ATOM   735  O OD1 . ASP A 1 87  ? -8.750  9.106   12.802 1.000 37.266 0 85  ASP AAA OD1 1 ? 
ATOM   736  O OD2 . ASP A 1 87  ? -9.382  9.811   10.814 1.000 38.931 0 85  ASP AAA OD2 1 ? 
ATOM   737  N N   . ILE A 1 88  ? -4.454  7.449   10.852 1.000 13.086 0 86  ILE AAA N   1 ? 
ATOM   738  C CA  . ILE A 1 88  ? -3.348  7.219   9.889  1.000 12.490 0 86  ILE AAA CA  1 ? 
ATOM   739  C C   . ILE A 1 88  ? -3.952  7.263   8.498  1.000 12.867 0 86  ILE AAA C   1 ? 
ATOM   740  O O   . ILE A 1 88  ? -4.812  6.460   8.163  1.000 14.090 0 86  ILE AAA O   1 ? 
ATOM   741  C CB  . ILE A 1 88  ? -2.635  5.869   10.116 1.000 11.439 0 86  ILE AAA CB  1 ? 
ATOM   742  C CG1 . ILE A 1 88  ? -2.068  5.769   11.537 1.000 12.735 0 86  ILE AAA CG1 1 ? 
ATOM   743  C CG2 . ILE A 1 88  ? -1.572  5.630   9.051  1.000 12.986 0 86  ILE AAA CG2 1 ? 
ATOM   744  C CD1 . ILE A 1 88  ? -1.056  6.838   11.913 1.000 13.552 0 86  ILE AAA CD1 1 ? 
ATOM   745  N N   . PRO A 1 89  ? -3.487  8.186   7.635  1.000 13.612 0 87  PRO AAA N   1 ? 
ATOM   746  C CA  . PRO A 1 89  ? -3.955  8.216   6.268  1.000 14.585 0 87  PRO AAA CA  1 ? 
ATOM   747  C C   . PRO A 1 89  ? -3.630  6.919   5.531  1.000 14.736 0 87  PRO AAA C   1 ? 
ATOM   748  O O   . PRO A 1 89  ? -2.615  6.279   5.770  1.000 13.389 0 87  PRO AAA O   1 ? 
ATOM   749  C CB  . PRO A 1 89  ? -3.174  9.370   5.644  1.000 15.121 0 87  PRO AAA CB  1 ? 
ATOM   750  C CG  . PRO A 1 89  ? -2.600  10.191  6.745  1.000 16.366 0 87  PRO AAA CG  1 ? 
ATOM   751  C CD  . PRO A 1 89  ? -2.535  9.252   7.933  1.000 13.879 0 87  PRO AAA CD  1 ? 
ATOM   752  N N   . ILE A 1 90  ? -4.455  6.591   4.556  1.000 15.424 0 88  ILE AAA N   1 ? 
ATOM   753  C CA  . ILE A 1 90  ? -4.204  5.370   3.735  1.000 16.541 0 88  ILE AAA CA  1 ? 
ATOM   754  C C   . ILE A 1 90  ? -2.837  5.474   3.052  1.000 14.948 0 88  ILE AAA C   1 ? 
ATOM   755  O O   . ILE A 1 90  ? -2.174  4.438   2.910  1.000 16.249 0 88  ILE AAA O   1 ? 
ATOM   756  C CB  . ILE A 1 90  ? -5.334  5.227   2.702  1.000 18.362 0 88  ILE AAA CB  1 ? 
ATOM   757  C CG1 . ILE A 1 90  ? -6.686  5.003   3.381  1.000 19.215 0 88  ILE AAA CG1 1 ? 
ATOM   758  C CG2 . ILE A 1 90  ? -4.990  4.137   1.701  1.000 20.061 0 88  ILE AAA CG2 1 ? 
ATOM   759  C CD1 . ILE A 1 90  ? -6.706  3.840   4.318  1.000 22.020 0 88  ILE AAA CD1 1 ? 
ATOM   760  N N   . THR A 1 91  ? -2.402  6.676   2.657  1.000 13.885 0 89  THR AAA N   1 ? 
ATOM   761  C CA  . THR A 1 91  ? -1.142  6.867   1.913  1.000 14.178 0 89  THR AAA CA  1 ? 
ATOM   762  C C   . THR A 1 91  ? 0.000   7.229   2.859  1.000 12.849 0 89  THR AAA C   1 ? 
ATOM   763  O O   . THR A 1 91  ? 1.087   7.607   2.375  1.000 13.870 0 89  THR AAA O   1 ? 
ATOM   764  C CB  . THR A 1 91  ? -1.345  7.955   0.866  1.000 15.488 0 89  THR AAA CB  1 ? 
ATOM   765  O OG1 . THR A 1 91  ? -1.878  9.085   1.533  1.000 16.174 0 89  THR AAA OG1 1 ? 
ATOM   766  C CG2 . THR A 1 91  ? -2.284  7.459   -0.224 1.000 17.395 0 89  THR AAA CG2 1 ? 
ATOM   767  N N   . TYR A 1 92  ? -0.192  7.058   4.169  1.000 12.572 0 90  TYR AAA N   1 ? 
ATOM   768  C CA  . TYR A 1 92  ? 0.961   7.051   5.084  1.000 11.640 0 90  TYR AAA CA  1 ? 
ATOM   769  C C   . TYR A 1 92  ? 1.946   5.986   4.621  1.000 12.656 0 90  TYR AAA C   1 ? 
ATOM   770  O O   . TYR A 1 92  ? 1.498   4.931   4.185  1.000 13.872 0 90  TYR AAA O   1 ? 
ATOM   771  C CB  . TYR A 1 92  ? 0.444   6.727   6.484  1.000 11.458 0 90  TYR AAA CB  1 ? 
ATOM   772  C CG  . TYR A 1 92  ? 1.432   6.904   7.606  1.000 11.507 0 90  TYR AAA CG  1 ? 
ATOM   773  C CD1 . TYR A 1 92  ? 1.758   8.159   8.080  1.000 12.153 0 90  TYR AAA CD1 1 ? 
ATOM   774  C CD2 . TYR A 1 92  ? 2.036   5.816   8.194  1.000 11.743 0 90  TYR AAA CD2 1 ? 
ATOM   775  C CE1 . TYR A 1 92  ? 2.668   8.337   9.101  1.000 11.103 0 90  TYR AAA CE1 1 ? 
ATOM   776  C CE2 . TYR A 1 92  ? 2.964   5.967   9.212  1.000 11.189 0 90  TYR AAA CE2 1 ? 
ATOM   777  C CZ  . TYR A 1 92  ? 3.276   7.227   9.665  1.000 11.744 0 90  TYR AAA CZ  1 ? 
ATOM   778  O OH  . TYR A 1 92  ? 4.177   7.404   10.665 1.000 10.642 0 90  TYR AAA OH  1 ? 
ATOM   779  N N   . PRO A 1 93  ? 3.269   6.161   4.787  1.000 12.206 0 91  PRO AAA N   1 ? 
ATOM   780  C CA  . PRO A 1 93  ? 3.893   7.303   5.482  1.000 12.268 0 91  PRO AAA CA  1 ? 
ATOM   781  C C   . PRO A 1 93  ? 4.342   8.466   4.601  1.000 13.980 0 91  PRO AAA C   1 ? 
ATOM   782  O O   . PRO A 1 93  ? 4.998   9.410   5.056  1.000 13.667 0 91  PRO AAA O   1 ? 
ATOM   783  C CB  . PRO A 1 93  ? 5.139   6.644   6.102  1.000 13.029 0 91  PRO AAA CB  1 ? 
ATOM   784  C CG  . PRO A 1 93  ? 5.557   5.617   5.068  1.000 13.336 0 91  PRO AAA CG  1 ? 
ATOM   785  C CD  . PRO A 1 93  ? 4.244   5.081   4.560  1.000 12.834 0 91  PRO AAA CD  1 ? 
ATOM   786  N N   . THR A 1 94  ? 4.001   8.407   3.310  1.000 12.705 0 92  THR AAA N   1 ? 
ATOM   787  C CA  . THR A 1 94  ? 4.298   9.518   2.382  1.000 14.075 0 92  THR AAA CA  1 ? 
ATOM   788  C C   . THR A 1 94  ? 3.457   10.721  2.752  1.000 13.005 0 92  THR AAA C   1 ? 
ATOM   789  O O   . THR A 1 94  ? 3.986   11.873  2.661  1.000 14.518 0 92  THR AAA O   1 ? 
ATOM   790  C CB  . THR A 1 94  ? 4.110   9.040   0.938  1.000 13.471 0 92  THR AAA CB  1 ? 
ATOM   791  O OG1 . THR A 1 94  ? 4.998   7.954   0.714  1.000 15.031 0 92  THR AAA OG1 1 ? 
ATOM   792  C CG2 . THR A 1 94  ? 4.461   10.115  -0.067 1.000 15.321 0 92  THR AAA CG2 1 ? 
ATOM   793  N N   . THR A 1 95  ? 2.223   10.543  3.159  1.000 12.816 0 93  THR AAA N   1 ? 
ATOM   794  C CA  . THR A 1 95  ? 1.335   11.595  3.660  1.000 13.664 0 93  THR AAA CA  1 ? 
ATOM   795  C C   . THR A 1 95  ? 1.505   11.669  5.179  1.000 14.550 0 93  THR AAA C   1 ? 
ATOM   796  O O   . THR A 1 95  ? 1.547   10.618  5.807  1.000 16.343 0 93  THR AAA O   1 ? 
ATOM   797  C CB  . THR A 1 95  ? -0.122  11.279  3.305  1.000 17.363 0 93  THR AAA CB  1 ? 
ATOM   798  O OG1 . THR A 1 95  ? -0.151  11.257  1.865  1.000 19.197 0 93  THR AAA OG1 1 ? 
ATOM   799  C CG2 . THR A 1 95  ? -1.084  12.321  3.815  1.000 20.094 0 93  THR AAA CG2 1 ? 
ATOM   800  N N   . ALA A 1 96  ? 1.558   12.857  5.751  1.000 13.071 0 94  ALA AAA N   1 ? 
ATOM   801  C CA  . ALA A 1 96  ? 1.664   13.013  7.208  1.000 12.734 0 94  ALA AAA CA  1 ? 
ATOM   802  C C   . ALA A 1 96  ? 0.283   12.963  7.841  1.000 12.817 0 94  ALA AAA C   1 ? 
ATOM   803  O O   . ALA A 1 96  ? -0.697  13.561  7.354  1.000 13.815 0 94  ALA AAA O   1 ? 
ATOM   804  C CB  . ALA A 1 96  ? 2.380   14.291  7.542  1.000 13.268 0 94  ALA AAA CB  1 ? 
ATOM   805  N N   . PRO A 1 97  ? 0.151   12.320  9.012  1.000 12.212 0 95  PRO AAA N   1 ? 
ATOM   806  C CA  . PRO A 1 97  ? -1.129  12.361  9.735  1.000 11.995 0 95  PRO AAA CA  1 ? 
ATOM   807  C C   . PRO A 1 97  ? -1.435  13.770  10.239 1.000 13.807 0 95  PRO AAA C   1 ? 
ATOM   808  O O   . PRO A 1 97  ? -0.501  14.540  10.417 1.000 13.313 0 95  PRO AAA O   1 ? 
ATOM   809  C CB  . PRO A 1 97  ? -0.913  11.482  10.975 1.000 13.332 0 95  PRO AAA CB  1 ? 
ATOM   810  C CG  . PRO A 1 97  ? 0.253   10.614  10.583 1.000 12.951 0 95  PRO AAA CG  1 ? 
ATOM   811  C CD  . PRO A 1 97  ? 1.130   11.451  9.674  1.000 13.113 0 95  PRO AAA CD  1 ? 
ATOM   812  N N   . GLU A 1 98  ? -2.707  14.039  10.493 1.000 13.308 0 96  GLU AAA N   1 ? 
ATOM   813  C CA  . GLU A 1 98  ? -3.187  15.351  10.957 1.000 14.186 0 96  GLU AAA CA  1 ? 
ATOM   814  C C   . GLU A 1 98  ? -3.568  15.238  12.428 1.000 13.067 0 96  GLU AAA C   1 ? 
ATOM   815  O O   . GLU A 1 98  ? -4.649  14.754  12.744 1.000 13.726 0 96  GLU AAA O   1 ? 
ATOM   816  C CB  . GLU A 1 98  ? -4.385  15.806  10.142 1.000 16.316 0 96  GLU AAA CB  1 ? 
ATOM   817  C CG  . GLU A 1 98  ? -4.032  16.000  8.698  1.000 17.418 0 96  GLU AAA CG  1 ? 
ATOM   818  C CD  . GLU A 1 98  ? -5.245  16.429  7.883  1.000 21.456 0 96  GLU AAA CD  1 ? 
ATOM   819  O OE1 . GLU A 1 98  ? -6.221  15.688  7.856  1.000 27.813 0 96  GLU AAA OE1 1 ? 
ATOM   820  O OE2 . GLU A 1 98  ? -5.190  17.498  7.318  1.000 33.992 0 96  GLU AAA OE2 1 ? 
ATOM   821  N N   . ILE A 1 99  ? -2.726  15.758  13.286 1.000 12.060 0 97  ILE AAA N   1 ? 
ATOM   822  C CA  . ILE A 1 99  ? -3.012  15.738  14.744 1.000 12.395 0 97  ILE AAA CA  1 ? 
ATOM   823  C C   . ILE A 1 99  ? -4.123  16.715  15.070 1.000 13.889 0 97  ILE AAA C   1 ? 
ATOM   824  O O   . ILE A 1 99  ? -4.097  17.852  14.613 1.000 14.441 0 97  ILE AAA O   1 ? 
ATOM   825  C CB  . ILE A 1 99  ? -1.760  16.077  15.564 1.000 14.127 0 97  ILE AAA CB  1 ? 
ATOM   826  C CG1 . ILE A 1 99  ? -0.698  14.986  15.401 1.000 14.441 0 97  ILE AAA CG1 1 ? 
ATOM   827  C CG2 . ILE A 1 99  ? -2.120  16.300  17.042 1.000 14.500 0 97  ILE AAA CG2 1 ? 
ATOM   828  C CD1 . ILE A 1 99  ? 0.660   15.354  15.939 1.000 14.958 0 97  ILE AAA CD1 1 ? 
ATOM   829  N N   . ALA A 1 100 ? -5.052  16.250  15.893 1.000 12.947 0 98  ALA AAA N   1 ? 
ATOM   830  C CA  . ALA A 1 100 ? -6.166  17.043  16.431 1.000 13.534 0 98  ALA AAA CA  1 ? 
ATOM   831  C C   . ALA A 1 100 ? -6.017  17.212  17.928 1.000 14.196 0 98  ALA AAA C   1 ? 
ATOM   832  O O   . ALA A 1 100 ? -5.608  16.279  18.630 1.000 14.070 0 98  ALA AAA O   1 ? 
ATOM   833  C CB  . ALA A 1 100 ? -7.485  16.405  16.077 1.000 13.841 0 98  ALA AAA CB  1 ? 
ATOM   834  N N   . VAL A 1 101 ? -6.325  18.430  18.373 1.000 13.409 0 99  VAL AAA N   1 ? 
ATOM   835  C CA  . VAL A 1 101 ? -6.464  18.725  19.824 1.000 13.770 0 99  VAL AAA CA  1 ? 
ATOM   836  C C   . VAL A 1 101 ? -7.904  19.188  20.001 1.000 13.450 0 99  VAL AAA C   1 ? 
ATOM   837  O O   . VAL A 1 101 ? -8.168  20.405  19.940 1.000 13.003 0 99  VAL AAA O   1 ? 
ATOM   838  C CB  . VAL A 1 101 ? -5.447  19.795  20.268 1.000 13.755 0 99  VAL AAA CB  1 ? 
ATOM   839  C CG1 . VAL A 1 101 ? -5.462  19.971  21.772 1.000 15.516 0 99  VAL AAA CG1 1 ? 
ATOM   840  C CG2 . VAL A 1 101 ? -4.042  19.487  19.811 1.000 13.851 0 99  VAL AAA CG2 1 ? 
ATOM   841  N N   . PRO A 1 102 ? -8.876  18.260  20.142 1.000 13.366 0 100 PRO AAA N   1 ? 
ATOM   842  C CA  . PRO A 1 102 ? -10.289 18.625  20.019 1.000 15.049 0 100 PRO AAA CA  1 ? 
ATOM   843  C C   . PRO A 1 102 ? -10.757 19.679  21.014 1.000 14.261 0 100 PRO AAA C   1 ? 
ATOM   844  O O   . PRO A 1 102 ? -11.622 20.502  20.604 1.000 15.409 0 100 PRO AAA O   1 ? 
ATOM   845  C CB  . PRO A 1 102 ? -11.014 17.304  20.221 1.000 15.532 0 100 PRO AAA CB  1 ? 
ATOM   846  C CG  . PRO A 1 102 ? -9.986  16.286  19.768 1.000 16.836 0 100 PRO AAA CG  1 ? 
ATOM   847  C CD  . PRO A 1 102 ? -8.695  16.825  20.352 1.000 15.743 0 100 PRO AAA CD  1 ? 
ATOM   848  N N   . GLU A 1 103 ? -10.194 19.745  22.216 1.000 14.651 0 101 GLU AAA N   1 ? 
ATOM   849  C CA  . GLU A 1 103 ? -10.718 20.759  23.159 1.000 16.824 0 101 GLU AAA CA  1 ? 
ATOM   850  C C   . GLU A 1 103 ? -10.407 22.169  22.662 1.000 16.189 0 101 GLU AAA C   1 ? 
ATOM   851  O O   . GLU A 1 103 ? -11.062 23.109  23.155 1.000 16.885 0 101 GLU AAA O   1 ? 
ATOM   852  C CB  . GLU A 1 103 ? -10.193 20.565  24.572 1.000 19.449 0 101 GLU AAA CB  1 ? 
ATOM   853  C CG  . GLU A 1 103 ? -8.702  20.629  24.708 1.000 21.515 0 101 GLU AAA CG  1 ? 
ATOM   854  C CD  . GLU A 1 103 ? -8.215  19.835  25.919 1.000 24.196 0 101 GLU AAA CD  1 ? 
ATOM   855  O OE1 . GLU A 1 103 ? -8.068  18.553  25.858 1.000 20.123 0 101 GLU AAA OE1 1 ? 
ATOM   856  O OE2 . GLU A 1 103 ? -8.135  20.486  27.010 1.000 28.847 0 101 GLU AAA OE2 1 ? 
ATOM   857  N N   . LEU A 1 104 ? -9.467  22.377  21.755 1.000 14.194 0 102 LEU AAA N   1 ? 
ATOM   858  C CA  . LEU A 1 104 ? -9.147  23.756  21.326 1.000 13.855 0 102 LEU AAA CA  1 ? 
ATOM   859  C C   . LEU A 1 104 ? -9.880  24.119  20.040 1.000 13.693 0 102 LEU AAA C   1 ? 
ATOM   860  O O   . LEU A 1 104 ? -9.655  25.191  19.553 1.000 15.245 0 102 LEU AAA O   1 ? 
ATOM   861  C CB  . LEU A 1 104 ? -7.641  23.881  21.137 1.000 14.165 0 102 LEU AAA CB  1 ? 
ATOM   862  C CG  . LEU A 1 104 ? -6.805  23.685  22.390 1.000 15.289 0 102 LEU AAA CG  1 ? 
ATOM   863  C CD1 . LEU A 1 104 ? -5.330  23.787  22.052 1.000 15.730 0 102 LEU AAA CD1 1 ? 
ATOM   864  C CD2 . LEU A 1 104 ? -7.225  24.645  23.478 1.000 16.849 0 102 LEU AAA CD2 1 ? 
ATOM   865  N N   . ASP A 1 105 ? -10.735 23.272  19.492 1.000 13.423 0 103 ASP AAA N   1 ? 
ATOM   866  C CA  . ASP A 1 105 ? -11.550 23.590  18.281 1.000 14.164 0 103 ASP AAA CA  1 ? 
ATOM   867  C C   . ASP A 1 105 ? -12.253 24.940  18.493 1.000 14.669 0 103 ASP AAA C   1 ? 
ATOM   868  O O   . ASP A 1 105 ? -12.864 25.137  19.535 1.000 15.621 0 103 ASP AAA O   1 ? 
ATOM   869  C CB  . ASP A 1 105 ? -12.584 22.493  18.029 1.000 15.886 0 103 ASP AAA CB  1 ? 
ATOM   870  C CG  . ASP A 1 105 ? -13.433 22.654  16.786 1.000 15.584 0 103 ASP AAA CG  1 ? 
ATOM   871  O OD1 . ASP A 1 105 ? -12.977 23.316  15.837 1.000 16.166 0 103 ASP AAA OD1 1 ? 
ATOM   872  O OD2 . ASP A 1 105 ? -14.541 22.052  16.773 1.000 16.635 0 103 ASP AAA OD2 1 ? 
ATOM   873  N N   . GLY A 1 106 ? -12.036 25.846  17.556 1.000 15.847 0 104 GLY AAA N   1 ? 
ATOM   874  C CA  . GLY A 1 106 ? -12.646 27.196  17.568 1.000 19.344 0 104 GLY AAA CA  1 ? 
ATOM   875  C C   . GLY A 1 106 ? -11.946 28.182  18.485 1.000 21.466 0 104 GLY AAA C   1 ? 
ATOM   876  O O   . GLY A 1 106 ? -12.426 29.361  18.580 1.000 22.942 0 104 GLY AAA O   1 ? 
ATOM   877  N N   . LYS A 1 107 ? -10.870 27.786  19.159 1.000 19.868 0 105 LYS AAA N   1 ? 
ATOM   878  C CA  . LYS A 1 107 ? -10.237 28.607  20.208 1.000 19.955 0 105 LYS AAA CA  1 ? 
ATOM   879  C C   . LYS A 1 107 ? -8.918  29.162  19.680 1.000 19.273 0 105 LYS AAA C   1 ? 
ATOM   880  O O   . LYS A 1 107 ? -8.387  30.070  20.313 1.000 21.515 0 105 LYS AAA O   1 ? 
ATOM   881  C CB  . LYS A 1 107 ? -10.041 27.822  21.505 1.000 21.358 0 105 LYS AAA CB  1 ? 
ATOM   882  C CG  . LYS A 1 107 ? -11.336 27.329  22.116 1.000 22.443 0 105 LYS AAA CG  1 ? 
ATOM   883  C CD  . LYS A 1 107 ? -11.203 26.756  23.466 1.000 23.806 0 105 LYS AAA CD  1 ? 
ATOM   884  C CE  . LYS A 1 107 ? -12.517 26.148  23.904 1.000 26.098 0 105 LYS AAA CE  1 ? 
ATOM   885  N NZ  . LYS A 1 107 ? -12.390 25.395  25.164 1.000 29.692 0 105 LYS AAA NZ  1 ? 
ATOM   886  N N   . CYS A 1 108 ? -8.398  28.642  18.571 1.000 19.853 0 106 CYS AAA N   1 ? 
ATOM   887  C CA  . CYS A 1 108 ? -7.037  28.936  18.058 1.000 21.742 0 106 CYS AAA CA  1 ? 
ATOM   888  C C   . CYS A 1 108 ? -7.118  29.209  16.555 1.000 20.574 0 106 CYS AAA C   1 ? 
ATOM   889  O O   . CYS A 1 108 ? -7.723  28.410  15.834 1.000 22.465 0 106 CYS AAA O   1 ? 
ATOM   890  C CB  . CYS A 1 108 ? -6.164  27.727  18.366 1.000 21.194 0 106 CYS AAA CB  1 ? 
ATOM   891  S SG  . CYS A 1 108 ? -4.425  27.954  17.917 1.000 21.261 0 106 CYS AAA SG  1 ? 
ATOM   892  N N   . ALA A 1 109 ? -6.514  30.295  16.091 1.000 21.415 0 107 ALA AAA N   1 ? 
ATOM   893  C CA  . ALA A 1 109 ? -6.459  30.655  14.658 1.000 23.036 0 107 ALA AAA CA  1 ? 
ATOM   894  C C   . ALA A 1 109 ? -5.587  29.656  13.898 1.000 21.859 0 107 ALA AAA C   1 ? 
ATOM   895  O O   . ALA A 1 109 ? -5.823  29.473  12.681 1.000 22.918 0 107 ALA AAA O   1 ? 
ATOM   896  C CB  . ALA A 1 109 ? -5.947  32.052  14.488 1.000 24.746 0 107 ALA AAA CB  1 ? 
ATOM   897  N N   . LYS A 1 110 ? -4.583  29.072  14.557 1.000 20.842 0 108 LYS AAA N   1 ? 
ATOM   898  C CA  . LYS A 1 110 ? -3.622  28.163  13.883 1.000 19.623 0 108 LYS AAA CA  1 ? 
ATOM   899  C C   . LYS A 1 110 ? -4.145  26.740  14.006 1.000 16.871 0 108 LYS AAA C   1 ? 
ATOM   900  O O   . LYS A 1 110 ? -3.458  25.838  14.540 1.000 14.939 0 108 LYS AAA O   1 ? 
ATOM   901  C CB  . LYS A 1 110 ? -2.214  28.338  14.448 1.000 20.346 0 108 LYS AAA CB  1 ? 
ATOM   902  C CG  . LYS A 1 110 ? -1.626  29.736  14.301 1.000 22.563 0 108 LYS AAA CG  1 ? 
ATOM   903  C CD  . LYS A 1 110 ? -1.888  30.424  12.981 1.000 25.454 0 108 LYS AAA CD  1 ? 
ATOM   904  C CE  . LYS A 1 110 ? -1.002  31.638  12.806 1.000 30.892 0 108 LYS AAA CE  1 ? 
ATOM   905  N NZ  . LYS A 1 110 ? 0.358   31.203  12.409 1.000 35.594 0 108 LYS AAA NZ  1 ? 
ATOM   906  N N   . MET A 1 111 ? -5.383  26.561  13.561 1.000 15.761 0 109 MET AAA N   1 ? 
ATOM   907  C CA  . MET A 1 111 ? -6.120  25.298  13.727 1.000 15.853 0 109 MET AAA CA  1 ? 
ATOM   908  C C   . MET A 1 111 ? -7.241  25.321  12.697 1.000 17.185 0 109 MET AAA C   1 ? 
ATOM   909  O O   . MET A 1 111 ? -7.765  26.429  12.371 1.000 18.114 0 109 MET AAA O   1 ? 
ATOM   910  C CB  . MET A 1 111 ? -6.613  25.207  15.179 1.000 16.854 0 109 MET AAA CB  1 ? 
ATOM   911  C CG  . MET A 1 111 ? -7.421  23.989  15.514 1.000 18.544 0 109 MET AAA CG  1 ? 
ATOM   912  S SD  . MET A 1 111 ? -7.618  23.884  17.318 1.000 19.946 0 109 MET AAA SD  1 ? 
ATOM   913  C CE  . MET A 1 111 ? -6.111  23.005  17.745 1.000 20.586 0 109 MET AAA CE  1 ? 
ATOM   914  N N   . TYR A 1 112 ? -7.546  24.164  12.155 1.000 17.950 0 110 TYR AAA N   1 ? 
ATOM   915  C CA  . TYR A 1 112 ? -8.685  23.940  11.245 1.000 20.250 0 110 TYR AAA CA  1 ? 
ATOM   916  C C   . TYR A 1 112 ? -9.940  23.588  12.050 1.000 22.038 0 110 TYR AAA C   1 ? 
ATOM   917  O O   . TYR A 1 112 ? -9.890  23.196  13.246 1.000 19.801 0 110 TYR AAA O   1 ? 
ATOM   918  C CB  . TYR A 1 112 ? -8.313  22.822  10.272 1.000 22.501 0 110 TYR AAA CB  1 ? 
ATOM   919  C CG  . TYR A 1 112 ? -7.075  23.067  9.468  1.000 24.708 0 110 TYR AAA CG  1 ? 
ATOM   920  C CD1 . TYR A 1 112 ? -7.075  23.949  8.399  1.000 30.298 0 110 TYR AAA CD1 1 ? 
ATOM   921  C CD2 . TYR A 1 112 ? -5.913  22.377  9.751  1.000 26.593 0 110 TYR AAA CD2 1 ? 
ATOM   922  C CE1 . TYR A 1 112 ? -5.930  24.161  7.646  1.000 32.166 0 110 TYR AAA CE1 1 ? 
ATOM   923  C CE2 . TYR A 1 112 ? -4.763  22.571  9.010  1.000 31.252 0 110 TYR AAA CE2 1 ? 
ATOM   924  C CZ  . TYR A 1 112 ? -4.773  23.473  7.962  1.000 33.538 0 110 TYR AAA CZ  1 ? 
ATOM   925  O OH  . TYR A 1 112 ? -3.641  23.666  7.219  1.000 42.920 0 110 TYR AAA OH  1 ? 
ATOM   926  N N   . ARG A 1 113 ? -11.078 23.733  11.378 1.000 25.202 0 111 ARG AAA N   1 ? 
ATOM   927  C CA  . ARG A 1 113 ? -12.406 23.360  11.927 1.000 30.049 0 111 ARG AAA CA  1 ? 
ATOM   928  C C   . ARG A 1 113 ? -12.319 21.904  12.380 1.000 28.012 0 111 ARG AAA C   1 ? 
ATOM   929  O O   . ARG A 1 113 ? -11.861 21.073  11.603 1.000 28.491 0 111 ARG AAA O   1 ? 
ATOM   930  C CB  . ARG A 1 113 ? -13.452 23.580  10.829 1.000 34.443 0 111 ARG AAA CB  1 ? 
ATOM   931  C CG  . ARG A 1 113 ? -14.744 24.225  11.294 1.000 40.632 0 111 ARG AAA CG  1 ? 
ATOM   932  C CD  . ARG A 1 113 ? -15.616 24.553  10.081 1.000 45.781 0 111 ARG AAA CD  1 ? 
ATOM   933  N NE  . ARG A 1 113 ? -15.605 25.981  9.771  1.000 48.989 0 111 ARG AAA NE  1 ? 
ATOM   934  C CZ  . ARG A 1 113 ? -16.077 26.536  8.658  1.000 53.625 0 111 ARG AAA CZ  1 ? 
ATOM   935  N NH1 . ARG A 1 113 ? -16.609 25.785  7.707  1.000 57.624 0 111 ARG AAA NH1 1 ? 
ATOM   936  N NH2 . ARG A 1 113 ? -16.019 27.851  8.503  1.000 51.161 0 111 ARG AAA NH2 1 ? 
ATOM   937  N N   . GLY A 1 114 ? -12.707 21.573  13.606 1.000 25.397 0 112 GLY AAA N   1 ? 
ATOM   938  C CA  . GLY A 1 114 ? -12.597 20.188  14.088 1.000 24.472 0 112 GLY AAA CA  1 ? 
ATOM   939  C C   . GLY A 1 114 ? -11.434 19.993  15.046 1.000 23.822 0 112 GLY AAA C   1 ? 
ATOM   940  O O   . GLY A 1 114 ? -11.418 19.043  15.837 1.000 29.876 0 112 GLY AAA O   1 ? 
ATOM   941  N N   . GLY A 1 115 ? -10.493 20.921  15.070 1.000 19.768 0 113 GLY AAA N   1 ? 
ATOM   942  C CA  . GLY A 1 115 ? -9.400  20.884  16.056 1.000 19.781 0 113 GLY AAA CA  1 ? 
ATOM   943  C C   . GLY A 1 115 ? -8.102  20.322  15.477 1.000 17.823 0 113 GLY AAA C   1 ? 
ATOM   944  O O   . GLY A 1 115 ? -7.154  20.146  16.232 1.000 16.566 0 113 GLY AAA O   1 ? 
ATOM   945  N N   . LYS A 1 116 ? -7.992  20.135  14.164 1.000 16.552 0 114 LYS AAA N   1 ? 
ATOM   946  C CA  . LYS A 1 116 ? -6.694  19.722  13.574 1.000 16.132 0 114 LYS AAA CA  1 ? 
ATOM   947  C C   . LYS A 1 116 ? -5.735  20.916  13.666 1.000 15.709 0 114 LYS AAA C   1 ? 
ATOM   948  O O   . LYS A 1 116 ? -6.086  22.022  13.217 1.000 15.626 0 114 LYS AAA O   1 ? 
ATOM   949  C CB  . LYS A 1 116 ? -6.875  19.240  12.135 1.000 18.729 0 114 LYS AAA CB  1 ? 
ATOM   950  C CG  . LYS A 1 116 ? -7.391  17.809  12.034 1.000 21.149 0 114 LYS AAA CG  1 ? 
ATOM   951  C CD  . LYS A 1 116 ? -7.771  17.339  10.643 1.000 23.519 0 114 LYS AAA CD  1 ? 
ATOM   952  C CE  . LYS A 1 116 ? -8.050  15.843  10.621 1.000 25.026 0 114 LYS AAA CE  1 ? 
ATOM   953  N NZ  . LYS A 1 116 ? -8.390  15.346  9.265  1.000 28.167 0 114 LYS AAA NZ  1 ? 
ATOM   954  N N   . ILE A 1 117 ? -4.551  20.719  14.233 1.000 13.744 0 115 ILE AAA N   1 ? 
ATOM   955  C CA  . ILE A 1 117 ? -3.534  21.789  14.312 1.000 13.342 0 115 ILE AAA CA  1 ? 
ATOM   956  C C   . ILE A 1 117 ? -3.090  22.163  12.897 1.000 14.844 0 115 ILE AAA C   1 ? 
ATOM   957  O O   . ILE A 1 117 ? -3.046  21.311  11.983 1.000 14.273 0 115 ILE AAA O   1 ? 
ATOM   958  C CB  . ILE A 1 117 ? -2.363  21.399  15.218 1.000 13.934 0 115 ILE AAA CB  1 ? 
ATOM   959  C CG1 . ILE A 1 117 ? -1.453  20.348  14.582 1.000 13.717 0 115 ILE AAA CG1 1 ? 
ATOM   960  C CG2 . ILE A 1 117 ? -2.858  20.987  16.590 1.000 13.173 0 115 ILE AAA CG2 1 ? 
ATOM   961  C CD1 . ILE A 1 117 ? -0.269  19.948  15.501 1.000 13.743 0 115 ILE AAA CD1 1 ? 
ATOM   962  N N   . CYS A 1 118 ? -2.834  23.449  12.729 1.000 14.223 0 116 CYS AAA N   1 ? 
ATOM   963  C CA  . CYS A 1 118 ? -2.333  24.051  11.485 1.000 15.508 0 116 CYS AAA CA  1 ? 
ATOM   964  C C   . CYS A 1 118 ? -0.856  24.327  11.692 1.000 14.694 0 116 CYS AAA C   1 ? 
ATOM   965  O O   . CYS A 1 118 ? -0.519  25.233  12.505 1.000 14.894 0 116 CYS AAA O   1 ? 
ATOM   966  C CB  . CYS A 1 118 ? -3.083  25.331  11.186 1.000 15.231 0 116 CYS AAA CB  1 ? 
ATOM   967  S SG  . CYS A 1 118 ? -2.622  25.905  9.552  1.000 18.768 0 116 CYS AAA SG  1 ? 
ATOM   968  N N   . LEU A 1 119 ? -0.001  23.524  11.063 1.000 15.419 0 117 LEU AAA N   1 ? 
ATOM   969  C CA  . LEU A 1 119 ? 1.455   23.749  11.143 1.000 15.836 0 117 LEU AAA CA  1 ? 
ATOM   970  C C   . LEU A 1 119 ? 1.867   24.755  10.092 1.000 15.923 0 117 LEU AAA C   1 ? 
ATOM   971  O O   . LEU A 1 119 ? 1.130   24.987  9.148  1.000 16.277 0 117 LEU AAA O   1 ? 
ATOM   972  C CB  . LEU A 1 119 ? 2.195   22.430  10.945 1.000 15.842 0 117 LEU AAA CB  1 ? 
ATOM   973  C CG  . LEU A 1 119 ? 1.857   21.331  11.959 1.000 15.738 0 117 LEU AAA CG  1 ? 
ATOM   974  C CD1 . LEU A 1 119 ? 2.727   20.107  11.731 1.000 17.294 0 117 LEU AAA CD1 1 ? 
ATOM   975  C CD2 . LEU A 1 119 ? 2.005   21.819  13.396 1.000 17.678 0 117 LEU AAA CD2 1 ? 
ATOM   976  N N   . THR A 1 120 ? 3.085   25.270  10.209 1.000 16.095 0 118 THR AAA N   1 ? 
ATOM   977  C CA  . THR A 1 120 ? 3.619   26.186  9.182  1.000 14.109 0 118 THR AAA CA  1 ? 
ATOM   978  C C   . THR A 1 120 ? 3.868   25.403  7.905  1.000 15.188 0 118 THR AAA C   1 ? 
ATOM   979  O O   . THR A 1 120 ? 4.074   24.154  7.979  1.000 14.174 0 118 THR AAA O   1 ? 
ATOM   980  C CB  . THR A 1 120 ? 4.884   26.935  9.614  1.000 14.874 0 118 THR AAA CB  1 ? 
ATOM   981  O OG1 . THR A 1 120 ? 5.970   26.020  9.684  1.000 15.429 0 118 THR AAA OG1 1 ? 
ATOM   982  C CG2 . THR A 1 120 ? 4.684   27.644  10.926 1.000 15.897 0 118 THR AAA CG2 1 ? 
ATOM   983  N N   . ASP A 1 121 ? 4.013   26.136  6.812  1.000 14.889 0 119 ASP AAA N   1 ? 
ATOM   984  C CA  . ASP A 1 121 ? 4.282   25.530  5.490  1.000 15.564 0 119 ASP AAA CA  1 ? 
ATOM   985  C C   . ASP A 1 121 ? 5.601   24.774  5.477  1.000 16.942 0 119 ASP AAA C   1 ? 
ATOM   986  O O   . ASP A 1 121 ? 5.790   23.944  4.593  1.000 20.603 0 119 ASP AAA O   1 ? 
ATOM   987  C CB  . ASP A 1 121 ? 4.231   26.528  4.340  1.000 16.961 0 119 ASP AAA CB  1 ? 
ATOM   988  C CG  . ASP A 1 121 ? 2.838   26.845  3.885  1.000 17.724 0 119 ASP AAA CG  1 ? 
ATOM   989  O OD1 . ASP A 1 121 ? 1.880   26.200  4.350  1.000 18.266 0 119 ASP AAA OD1 1 ? 
ATOM   990  O OD2 . ASP A 1 121 ? 2.725   27.805  3.083  1.000 19.568 0 119 ASP AAA OD2 1 ? 
ATOM   991  N N   . HIS A 1 122 ? 6.559   25.064  6.347  1.000 16.465 0 120 HIS AAA N   1 ? 
ATOM   992  C CA  . HIS A 1 122 ? 7.852   24.343  6.272  1.000 18.030 0 120 HIS AAA CA  1 ? 
ATOM   993  C C   . HIS A 1 122 ? 7.702   22.870  6.699  1.000 14.961 0 120 HIS AAA C   1 ? 
ATOM   994  O O   . HIS A 1 122 ? 8.474   22.046  6.186  1.000 13.818 0 120 HIS AAA O   1 ? 
ATOM   995  C CB  . HIS A 1 122 ? 8.900   25.123  7.050  1.000 19.847 0 120 HIS AAA CB  1 ? 
ATOM   996  C CG  . HIS A 1 122 ? 9.572   26.202  6.238  1.000 26.378 0 120 HIS AAA CG  1 ? 
ATOM   997  N ND1 . HIS A 1 122 ? 8.934   26.955  5.241  1.000 33.222 0 120 HIS AAA ND1 1 ? 
ATOM   998  C CD2 . HIS A 1 122 ? 10.821  26.717  6.335  1.000 30.267 0 120 HIS AAA CD2 1 ? 
ATOM   999  C CE1 . HIS A 1 122 ? 9.785   27.846  4.751  1.000 31.520 0 120 HIS AAA CE1 1 ? 
ATOM   1000 N NE2 . HIS A 1 122 ? 10.942  27.731  5.409  1.000 35.212 0 120 HIS AAA NE2 1 ? 
ATOM   1001 N N   . PHE A 1 123 ? 6.705   22.523  7.514  1.000 13.791 0 121 PHE AAA N   1 ? 
ATOM   1002 C CA  . PHE A 1 123 ? 6.564   21.139  8.018  1.000 13.562 0 121 PHE AAA CA  1 ? 
ATOM   1003 C C   . PHE A 1 123 ? 6.309   20.167  6.852  1.000 13.223 0 121 PHE AAA C   1 ? 
ATOM   1004 O O   . PHE A 1 123 ? 6.995   19.119  6.788  1.000 12.888 0 121 PHE AAA O   1 ? 
ATOM   1005 C CB  . PHE A 1 123 ? 5.445   21.012  9.054  1.000 13.080 0 121 PHE AAA CB  1 ? 
ATOM   1006 C CG  . PHE A 1 123 ? 5.393   19.596  9.554  1.000 12.919 0 121 PHE AAA CG  1 ? 
ATOM   1007 C CD1 . PHE A 1 123 ? 6.255   19.190  10.562 1.000 14.170 0 121 PHE AAA CD1 1 ? 
ATOM   1008 C CD2 . PHE A 1 123 ? 4.601   18.625  8.934  1.000 14.160 0 121 PHE AAA CD2 1 ? 
ATOM   1009 C CE1 . PHE A 1 123 ? 6.259   17.863  10.970 1.000 14.608 0 121 PHE AAA CE1 1 ? 
ATOM   1010 C CE2 . PHE A 1 123 ? 4.633   17.297  9.354  1.000 14.638 0 121 PHE AAA CE2 1 ? 
ATOM   1011 C CZ  . PHE A 1 123 ? 5.437   16.936  10.401 1.000 13.606 0 121 PHE AAA CZ  1 ? 
ATOM   1012 N N   . LYS A 1 124 ? 5.375   20.443  5.949  1.000 13.713 0 122 LYS AAA N   1 ? 
ATOM   1013 C CA  . LYS A 1 124 ? 4.996   19.426  4.931  1.000 12.970 0 122 LYS AAA CA  1 ? 
ATOM   1014 C C   . LYS A 1 124 ? 6.180   19.080  4.035  1.000 13.013 0 122 LYS AAA C   1 ? 
ATOM   1015 O O   . LYS A 1 124 ? 6.458   17.879  3.841  1.000 12.233 0 122 LYS AAA O   1 ? 
ATOM   1016 C CB  . LYS A 1 124 ? 3.728   19.852  4.203  1.000 15.032 0 122 LYS AAA CB  1 ? 
ATOM   1017 C CG  . LYS A 1 124 ? 2.480   19.358  4.911  1.000 15.629 0 122 LYS AAA CG  1 ? 
ATOM   1018 C CD  . LYS A 1 124 ? 1.179   19.855  4.308  1.000 16.501 0 122 LYS AAA CD  1 ? 
ATOM   1019 C CE  . LYS A 1 124 ? -0.019  19.328  5.051  1.000 18.796 0 122 LYS AAA CE  1 ? 
ATOM   1020 N NZ  . LYS A 1 124 ? -1.308  19.842  4.518  1.000 21.311 0 122 LYS AAA NZ  1 ? 
ATOM   1021 N N   . PRO A 1 125 ? 6.913   20.050  3.449  1.000 12.234 0 123 PRO AAA N   1 ? 
ATOM   1022 C CA  . PRO A 1 125 ? 8.057   19.693  2.623  1.000 12.863 0 123 PRO AAA CA  1 ? 
ATOM   1023 C C   . PRO A 1 125 ? 9.170   19.011  3.439  1.000 12.146 0 123 PRO AAA C   1 ? 
ATOM   1024 O O   . PRO A 1 125 ? 9.852   18.166  2.898  1.000 13.582 0 123 PRO AAA O   1 ? 
ATOM   1025 C CB  . PRO A 1 125 ? 8.518   21.017  2.003  1.000 14.570 0 123 PRO AAA CB  1 ? 
ATOM   1026 C CG  . PRO A 1 125 ? 7.242   21.820  2.010  1.000 14.680 0 123 PRO AAA CG  1 ? 
ATOM   1027 C CD  . PRO A 1 125 ? 6.526   21.479  3.295  1.000 14.467 0 123 PRO AAA CD  1 ? 
ATOM   1028 N N   . LEU A 1 126 ? 9.311   19.346  4.726  1.000 11.466 0 124 LEU AAA N   1 ? 
ATOM   1029 C CA  . LEU A 1 126 ? 10.308  18.690  5.610  1.000 12.382 0 124 LEU AAA CA  1 ? 
ATOM   1030 C C   . LEU A 1 126 ? 9.908   17.212  5.747  1.000 11.781 0 124 LEU AAA C   1 ? 
ATOM   1031 O O   . LEU A 1 126 ? 10.742  16.333  5.570  1.000 11.476 0 124 LEU AAA O   1 ? 
ATOM   1032 C CB  . LEU A 1 126 ? 10.320  19.392  6.965  1.000 12.784 0 124 LEU AAA CB  1 ? 
ATOM   1033 C CG  . LEU A 1 126 ? 11.075  18.671  8.070  1.000 14.317 0 124 LEU AAA CG  1 ? 
ATOM   1034 C CD1 . LEU A 1 126 ? 12.503  18.444  7.694  1.000 16.976 0 124 LEU AAA CD1 1 ? 
ATOM   1035 C CD2 . LEU A 1 126 ? 10.966  19.446  9.368  1.000 15.606 0 124 LEU AAA CD2 1 ? 
ATOM   1036 N N   . TRP A 1 127 ? 8.652   16.919  6.007  1.000 12.073 0 125 TRP AAA N   1 ? 
ATOM   1037 C CA  . TRP A 1 127 ? 8.165   15.512  6.047  1.000 11.567 0 125 TRP AAA CA  1 ? 
ATOM   1038 C C   . TRP A 1 127 ? 8.420   14.829  4.701  1.000 11.853 0 125 TRP AAA C   1 ? 
ATOM   1039 O O   . TRP A 1 127 ? 9.019   13.724  4.638  1.000 11.847 0 125 TRP AAA O   1 ? 
ATOM   1040 C CB  . TRP A 1 127 ? 6.697   15.487  6.445  1.000 11.347 0 125 TRP AAA CB  1 ? 
ATOM   1041 C CG  . TRP A 1 127 ? 6.148   14.101  6.553  1.000 11.099 0 125 TRP AAA CG  1 ? 
ATOM   1042 C CD1 . TRP A 1 127 ? 5.644   13.333  5.549  1.000 11.488 0 125 TRP AAA CD1 1 ? 
ATOM   1043 C CD2 . TRP A 1 127 ? 6.056   13.309  7.745  1.000 10.472 0 125 TRP AAA CD2 1 ? 
ATOM   1044 N NE1 . TRP A 1 127 ? 5.251   12.117  6.038  1.000 11.782 0 125 TRP AAA NE1 1 ? 
ATOM   1045 C CE2 . TRP A 1 127 ? 5.477   12.078  7.380  1.000 11.030 0 125 TRP AAA CE2 1 ? 
ATOM   1046 C CE3 . TRP A 1 127 ? 6.360   13.542  9.089  1.000 10.290 0 125 TRP AAA CE3 1 ? 
ATOM   1047 C CZ2 . TRP A 1 127 ? 5.218   11.080  8.307  1.000 11.328 0 125 TRP AAA CZ2 1 ? 
ATOM   1048 C CZ3 . TRP A 1 127 ? 6.106   12.547  9.995  1.000 11.040 0 125 TRP AAA CZ3 1 ? 
ATOM   1049 C CH2 . TRP A 1 127 ? 5.570   11.347  9.604  1.000 10.643 0 125 TRP AAA CH2 1 ? 
ATOM   1050 N N   . ALA A 1 128 ? 8.026   15.491  3.628  1.000 11.832 0 126 ALA AAA N   1 ? 
ATOM   1051 C CA  . ALA A 1 128 ? 8.120   14.930  2.270  1.000 11.901 0 126 ALA AAA CA  1 ? 
ATOM   1052 C C   . ALA A 1 128 ? 9.562   14.531  1.968  1.000 12.959 0 126 ALA AAA C   1 ? 
ATOM   1053 O O   . ALA A 1 128 ? 9.775   13.442  1.404  1.000 14.109 0 126 ALA AAA O   1 ? 
ATOM   1054 C CB  . ALA A 1 128 ? 7.590   15.932  1.277  1.000 12.212 0 126 ALA AAA CB  1 ? 
ATOM   1055 N N   . ARG A 1 129 ? 10.527  15.413  2.282  1.000 13.951 0 127 ARG AAA N   1 ? 
ATOM   1056 C CA  . ARG A 1 129 ? 11.958  15.231  1.936  1.000 17.299 0 127 ARG AAA CA  1 ? 
ATOM   1057 C C   . ARG A 1 129 ? 12.548  14.049  2.713  1.000 15.697 0 127 ARG AAA C   1 ? 
ATOM   1058 O O   . ARG A 1 129 ? 13.710  13.701  2.431  1.000 18.462 0 127 ARG AAA O   1 ? 
ATOM   1059 C CB  . ARG A 1 129 ? 12.842  16.411  2.363  1.000 21.743 0 127 ARG AAA CB  1 ? 
ATOM   1060 C CG  . ARG A 1 129 ? 12.586  17.771  1.746  1.000 30.359 0 127 ARG AAA CG  1 ? 
ATOM   1061 C CD  . ARG A 1 129 ? 13.770  18.681  2.091  1.000 28.310 0 127 ARG AAA CD  1 ? 
ATOM   1062 N NE  . ARG A 1 129 ? 13.979  19.241  3.436  1.000 25.175 0 127 ARG AAA NE  1 ? 
ATOM   1063 C CZ  . ARG A 1 129 ? 13.307  20.285  3.966  1.000 25.126 0 127 ARG AAA CZ  1 ? 
ATOM   1064 N NH1 . ARG A 1 129 ? 12.298  20.836  3.322  1.000 23.697 0 127 ARG AAA NH1 1 ? 
ATOM   1065 N NH2 . ARG A 1 129 ? 13.663  20.793  5.141  1.000 24.793 0 127 ARG AAA NH2 1 ? 
ATOM   1066 N N   . ASN A 1 130 ? 11.879  13.587  3.784  1.000 12.554 0 128 ASN AAA N   1 ? 
ATOM   1067 C CA  . ASN A 1 130 ? 12.427  12.553  4.690  1.000 11.800 0 128 ASN AAA CA  1 ? 
ATOM   1068 C C   . ASN A 1 130 ? 11.665  11.228  4.571  1.000 13.743 0 128 ASN AAA C   1 ? 
ATOM   1069 O O   . ASN A 1 130 ? 12.085  10.252  5.233  1.000 14.888 0 128 ASN AAA O   1 ? 
ATOM   1070 C CB  . ASN A 1 130 ? 12.495  13.059  6.130  1.000 11.816 0 128 ASN AAA CB  1 ? 
ATOM   1071 C CG  . ASN A 1 130 ? 13.671  13.967  6.310  1.000 12.052 0 128 ASN AAA CG  1 ? 
ATOM   1072 O OD1 . ASN A 1 130 ? 14.813  13.492  6.412  1.000 14.308 0 128 ASN AAA OD1 1 ? 
ATOM   1073 N ND2 . ASN A 1 130 ? 13.423  15.254  6.300  1.000 13.228 0 128 ASN AAA ND2 1 ? 
ATOM   1074 N N   . VAL A 1 131 ? 10.671  11.135  3.690  1.000 12.483 0 129 VAL AAA N   1 ? 
ATOM   1075 C CA  . VAL A 1 131 ? 9.868   9.892   3.581  1.000 14.025 0 129 VAL AAA CA  1 ? 
ATOM   1076 C C   . VAL A 1 131 ? 10.792  8.764   3.150  1.000 12.560 0 129 VAL AAA C   1 ? 
ATOM   1077 O O   . VAL A 1 131 ? 11.654  8.947   2.260  1.000 15.348 0 129 VAL AAA O   1 ? 
ATOM   1078 C CB  . VAL A 1 131 ? 8.722   10.053  2.583  1.000 14.058 0 129 VAL AAA CB  1 ? 
ATOM   1079 C CG1 . VAL A 1 131 ? 8.039   8.735   2.241  1.000 16.895 0 129 VAL AAA CG1 1 ? 
ATOM   1080 C CG2 . VAL A 1 131 ? 7.700   11.065  3.055  1.000 12.842 0 129 VAL AAA CG2 1 ? 
ATOM   1081 N N   . PRO A 1 132 ? 10.687  7.534   3.729  1.000 12.113 0 130 PRO AAA N   1 ? 
ATOM   1082 C CA  . PRO A 1 132 ? 9.780   7.120   4.802  1.000 12.530 0 130 PRO AAA CA  1 ? 
ATOM   1083 C C   . PRO A 1 132 ? 10.456  7.053   6.185  1.000 12.876 0 130 PRO AAA C   1 ? 
ATOM   1084 O O   . PRO A 1 132 ? 9.984   6.340   7.080  1.000 13.455 0 130 PRO AAA O   1 ? 
ATOM   1085 C CB  . PRO A 1 132 ? 9.459   5.699   4.279  1.000 12.360 0 130 PRO AAA CB  1 ? 
ATOM   1086 C CG  . PRO A 1 132 ? 10.815  5.197   3.912  1.000 12.096 0 130 PRO AAA CG  1 ? 
ATOM   1087 C CD  . PRO A 1 132 ? 11.477  6.390   3.245  1.000 12.744 0 130 PRO AAA CD  1 ? 
ATOM   1088 N N   . LYS A 1 133 ? 11.517  7.841   6.366  1.000 11.948 0 131 LYS AAA N   1 ? 
ATOM   1089 C CA  . LYS A 1 133 ? 12.333  7.790   7.584  1.000 11.854 0 131 LYS AAA CA  1 ? 
ATOM   1090 C C   . LYS A 1 133 ? 11.579  8.340   8.777  1.000 11.409 0 131 LYS AAA C   1 ? 
ATOM   1091 O O   . LYS A 1 133 ? 11.895  7.870   9.871  1.000 12.666 0 131 LYS AAA O   1 ? 
ATOM   1092 C CB  . LYS A 1 133 ? 13.629  8.552   7.346  1.000 12.530 0 131 LYS AAA CB  1 ? 
ATOM   1093 C CG  . LYS A 1 133 ? 14.501  7.851   6.309  1.000 14.105 0 131 LYS AAA CG  1 ? 
ATOM   1094 C CD  . LYS A 1 133 ? 15.799  8.515   6.079  1.000 16.440 0 131 LYS AAA CD  1 ? 
ATOM   1095 C CE  . LYS A 1 133 ? 15.662  9.777   5.256  1.000 17.938 0 131 LYS AAA CE  1 ? 
ATOM   1096 N NZ  . LYS A 1 133 ? 17.009  10.303  4.895  1.000 17.602 0 131 LYS AAA NZ  1 ? 
ATOM   1097 N N   . PHE A 1 134 ? 10.745  9.367   8.599  1.000 10.177 0 132 PHE AAA N   1 ? 
ATOM   1098 C CA  . PHE A 1 134 ? 9.988   9.920   9.758  1.000 10.085 0 132 PHE AAA CA  1 ? 
ATOM   1099 C C   . PHE A 1 134 ? 8.713   9.126   10.006 1.000 9.708  0 132 PHE AAA C   1 ? 
ATOM   1100 O O   . PHE A 1 134 ? 8.026   8.652   9.092  1.000 10.113 0 132 PHE AAA O   1 ? 
ATOM   1101 C CB  . PHE A 1 134 ? 9.653   11.392  9.542  1.000 10.116 0 132 PHE AAA CB  1 ? 
ATOM   1102 C CG  . PHE A 1 134 ? 10.805  12.360  9.536  1.000 11.239 0 132 PHE AAA CG  1 ? 
ATOM   1103 C CD1 . PHE A 1 134 ? 12.078  11.958  9.832  1.000 11.897 0 132 PHE AAA CD1 1 ? 
ATOM   1104 C CD2 . PHE A 1 134 ? 10.571  13.709  9.269  1.000 13.246 0 132 PHE AAA CD2 1 ? 
ATOM   1105 C CE1 . PHE A 1 134 ? 13.156  12.838  9.869  1.000 12.733 0 132 PHE AAA CE1 1 ? 
ATOM   1106 C CE2 . PHE A 1 134 ? 11.644  14.591  9.291  1.000 13.121 0 132 PHE AAA CE2 1 ? 
ATOM   1107 C CZ  . PHE A 1 134 ? 12.915  14.146  9.578  1.000 13.048 0 132 PHE AAA CZ  1 ? 
ATOM   1108 N N   . GLY A 1 135 ? 8.390   9.011   11.301 1.000 9.478  0 133 GLY AAA N   1 ? 
ATOM   1109 C CA  . GLY A 1 135 ? 7.111   8.419   11.733 1.000 10.378 0 133 GLY AAA CA  1 ? 
ATOM   1110 C C   . GLY A 1 135 ? 6.438   9.266   12.787 1.000 10.296 0 133 GLY AAA C   1 ? 
ATOM   1111 O O   . GLY A 1 135 ? 6.684   10.463  12.897 1.000 9.852  0 133 GLY AAA O   1 ? 
ATOM   1112 N N   . LEU A 1 136 ? 5.643   8.616   13.626 1.000 9.447  0 134 LEU AAA N   1 ? 
ATOM   1113 C CA  . LEU A 1 136 ? 4.811   9.341   14.605 1.000 10.230 0 134 LEU AAA CA  1 ? 
ATOM   1114 C C   . LEU A 1 136 ? 5.698   10.040  15.641 1.000 10.219 0 134 LEU AAA C   1 ? 
ATOM   1115 O O   . LEU A 1 136 ? 5.325   11.149  16.042 1.000 10.021 0 134 LEU AAA O   1 ? 
ATOM   1116 C CB  . LEU A 1 136 ? 3.848   8.358   15.254 1.000 10.380 0 134 LEU AAA CB  1 ? 
ATOM   1117 C CG  . LEU A 1 136 ? 2.891   7.667   14.288 1.000 9.977  0 134 LEU AAA CG  1 ? 
ATOM   1118 C CD1 . LEU A 1 136 ? 1.892   6.810   15.082 1.000 11.417 0 134 LEU AAA CD1 1 ? 
ATOM   1119 C CD2 . LEU A 1 136 ? 2.182   8.640   13.358 1.000 10.678 0 134 LEU AAA CD2 1 ? 
ATOM   1120 N N   . ALA A 1 137 ? 6.828   9.460   16.052 1.000 9.852  0 135 ALA AAA N   1 ? 
ATOM   1121 C CA  . ALA A 1 137 ? 7.714   10.162  16.999 1.000 9.425  0 135 ALA AAA CA  1 ? 
ATOM   1122 C C   . ALA A 1 137 ? 8.155   11.491  16.408 1.000 9.525  0 135 ALA AAA C   1 ? 
ATOM   1123 O O   . ALA A 1 137 ? 8.224   12.503  17.090 1.000 10.024 0 135 ALA AAA O   1 ? 
ATOM   1124 C CB  . ALA A 1 137 ? 8.881   9.291   17.385 1.000 9.370  0 135 ALA AAA CB  1 ? 
ATOM   1125 N N   . HIS A 1 138 ? 8.524   11.484  15.131 1.000 9.325  0 136 HIS AAA N   1 ? 
ATOM   1126 C CA  . HIS A 1 138 ? 8.994   12.697  14.426 1.000 8.993  0 136 HIS AAA CA  1 ? 
ATOM   1127 C C   . HIS A 1 138 ? 7.852   13.679  14.226 1.000 9.194  0 136 HIS AAA C   1 ? 
ATOM   1128 O O   . HIS A 1 138 ? 8.058   14.878  14.322 1.000 9.821  0 136 HIS AAA O   1 ? 
ATOM   1129 C CB  . HIS A 1 138 ? 9.560   12.332  13.058 1.000 8.598  0 136 HIS AAA CB  1 ? 
ATOM   1130 C CG  . HIS A 1 138 ? 10.700  11.385  13.132 1.000 9.433  0 136 HIS AAA CG  1 ? 
ATOM   1131 N ND1 . HIS A 1 138 ? 10.503  10.019  13.213 1.000 10.414 0 136 HIS AAA ND1 1 ? 
ATOM   1132 C CD2 . HIS A 1 138 ? 12.016  11.602  13.223 1.000 9.666  0 136 HIS AAA CD2 1 ? 
ATOM   1133 C CE1 . HIS A 1 138 ? 11.694  9.438   13.331 1.000 10.909 0 136 HIS AAA CE1 1 ? 
ATOM   1134 N NE2 . HIS A 1 138 ? 12.632  10.353  13.302 1.000 10.244 0 136 HIS AAA NE2 1 ? 
ATOM   1135 N N   . LEU A 1 139 ? 6.650   13.192  13.931 1.000 10.283 0 137 LEU AAA N   1 ? 
ATOM   1136 C CA  . LEU A 1 139 ? 5.462   14.064  13.828 1.000 9.176  0 137 LEU AAA CA  1 ? 
ATOM   1137 C C   . LEU A 1 139 ? 5.235   14.794  15.146 1.000 9.731  0 137 LEU AAA C   1 ? 
ATOM   1138 O O   . LEU A 1 139 ? 4.934   16.007  15.128 1.000 10.847 0 137 LEU AAA O   1 ? 
ATOM   1139 C CB  . LEU A 1 139 ? 4.257   13.180  13.505 1.000 10.499 0 137 LEU AAA CB  1 ? 
ATOM   1140 C CG  . LEU A 1 139 ? 2.944   13.912  13.385 1.000 12.205 0 137 LEU AAA CG  1 ? 
ATOM   1141 C CD1 . LEU A 1 139 ? 2.936   14.727  12.114 1.000 14.342 0 137 LEU AAA CD1 1 ? 
ATOM   1142 C CD2 . LEU A 1 139 ? 1.808   12.906  13.409 1.000 12.970 0 137 LEU AAA CD2 1 ? 
ATOM   1143 N N   . MET A 1 140 ? 5.422   14.111  16.268 1.000 9.438  0 138 MET AAA N   1 ? 
ATOM   1144 C CA  . MET A 1 140 ? 5.300   14.765  17.584 1.000 9.671  0 138 MET AAA CA  1 ? 
ATOM   1145 C C   . MET A 1 140 ? 6.455   15.735  17.803 1.000 9.973  0 138 MET AAA C   1 ? 
ATOM   1146 O O   . MET A 1 140 ? 6.198   16.879  18.208 1.000 9.955  0 138 MET AAA O   1 ? 
ATOM   1147 C CB  . MET A 1 140 ? 5.272   13.717  18.681 1.000 10.348 0 138 MET AAA CB  1 ? 
ATOM   1148 C CG  . MET A 1 140 ? 4.070   12.804  18.612 1.000 10.481 0 138 MET AAA CG  1 ? 
ATOM   1149 S SD  . MET A 1 140 ? 2.514   13.602  19.007 1.000 10.964 0 138 MET AAA SD  1 ? 
ATOM   1150 C CE  . MET A 1 140 ? 2.608   13.683  20.777 1.000 10.552 0 138 MET AAA CE  1 ? 
ATOM   1151 N N   . ALA A 1 141 ? 7.684   15.322  17.594 1.000 8.650  0 139 ALA AAA N   1 ? 
ATOM   1152 C CA  . ALA A 1 141 ? 8.862   16.181  17.860 1.000 9.372  0 139 ALA AAA CA  1 ? 
ATOM   1153 C C   . ALA A 1 141 ? 8.900   17.435  16.973 1.000 11.211 0 139 ALA AAA C   1 ? 
ATOM   1154 O O   . ALA A 1 141 ? 9.358   18.500  17.462 1.000 10.342 0 139 ALA AAA O   1 ? 
ATOM   1155 C CB  . ALA A 1 141 ? 10.138  15.377  17.704 1.000 9.274  0 139 ALA AAA CB  1 ? 
ATOM   1156 N N   . LEU A 1 142 ? 8.586   17.290  15.700 1.000 10.357 0 140 LEU AAA N   1 ? 
ATOM   1157 C CA  . LEU A 1 142 ? 8.775   18.362  14.689 1.000 10.494 0 140 LEU AAA CA  1 ? 
ATOM   1158 C C   . LEU A 1 142 ? 7.465   19.084  14.404 1.000 10.187 0 140 LEU AAA C   1 ? 
ATOM   1159 O O   . LEU A 1 142 ? 7.538   20.176  13.795 1.000 12.489 0 140 LEU AAA O   1 ? 
ATOM   1160 C CB  . LEU A 1 142 ? 9.327   17.741  13.404 1.000 10.351 0 140 LEU AAA CB  1 ? 
ATOM   1161 C CG  . LEU A 1 142 ? 10.765  17.229  13.420 1.000 10.905 0 140 LEU AAA CG  1 ? 
ATOM   1162 C CD1 . LEU A 1 142 ? 11.106  16.426  12.183 1.000 12.646 0 140 LEU AAA CD1 1 ? 
ATOM   1163 C CD2 . LEU A 1 142 ? 11.777  18.349  13.610 1.000 12.238 0 140 LEU AAA CD2 1 ? 
ATOM   1164 N N   . GLY A 1 143 ? 6.312   18.515  14.765 1.000 11.230 0 141 GLY AAA N   1 ? 
ATOM   1165 C CA  . GLY A 1 143 ? 5.017   19.111  14.384 1.000 11.623 0 141 GLY AAA CA  1 ? 
ATOM   1166 C C   . GLY A 1 143 ? 4.308   19.624  15.620 1.000 12.008 0 141 GLY AAA C   1 ? 
ATOM   1167 O O   . GLY A 1 143 ? 4.322   20.825  15.900 1.000 12.913 0 141 GLY AAA O   1 ? 
ATOM   1168 N N   . LEU A 1 144 ? 3.773   18.720  16.437 1.000 9.927  0 142 LEU AAA N   1 ? 
ATOM   1169 C CA  . LEU A 1 144 ? 3.011   19.145  17.630 1.000 10.244 0 142 LEU AAA CA  1 ? 
ATOM   1170 C C   . LEU A 1 144 ? 3.904   19.878  18.623 1.000 10.503 0 142 LEU AAA C   1 ? 
ATOM   1171 O O   . LEU A 1 144 ? 3.395   20.861  19.190 1.000 10.858 0 142 LEU AAA O   1 ? 
ATOM   1172 C CB  . LEU A 1 144 ? 2.308   17.953  18.263 1.000 10.517 0 142 LEU AAA CB  1 ? 
ATOM   1173 C CG  . LEU A 1 144 ? 1.550   18.257  19.547 1.000 10.499 0 142 LEU AAA CG  1 ? 
ATOM   1174 C CD1 . LEU A 1 144 ? 0.414   19.251  19.269 1.000 10.923 0 142 LEU AAA CD1 1 ? 
ATOM   1175 C CD2 . LEU A 1 144 ? 0.960   16.976  20.130 1.000 11.010 0 142 LEU AAA CD2 1 ? 
ATOM   1176 N N   . GLY A 1 145 ? 5.110   19.422  18.908 1.000 10.953 0 143 GLY AAA N   1 ? 
ATOM   1177 C CA  . GLY A 1 145 ? 5.954   20.038  19.954 1.000 10.702 0 143 GLY AAA CA  1 ? 
ATOM   1178 C C   . GLY A 1 145 ? 6.124   21.533  19.726 1.000 11.076 0 143 GLY AAA C   1 ? 
ATOM   1179 O O   . GLY A 1 145 ? 5.803   22.329  20.615 1.000 12.277 0 143 GLY AAA O   1 ? 
ATOM   1180 N N   . PRO A 1 146 ? 6.634   21.944  18.559 1.000 11.437 0 144 PRO AAA N   1 ? 
ATOM   1181 C CA  . PRO A 1 146 ? 6.869   23.369  18.333 1.000 12.491 0 144 PRO AAA CA  1 ? 
ATOM   1182 C C   . PRO A 1 146 ? 5.567   24.138  18.141 1.000 11.436 0 144 PRO AAA C   1 ? 
ATOM   1183 O O   . PRO A 1 146 ? 5.543   25.367  18.433 1.000 12.494 0 144 PRO AAA O   1 ? 
ATOM   1184 C CB  . PRO A 1 146 ? 7.791   23.419  17.113 1.000 14.142 0 144 PRO AAA CB  1 ? 
ATOM   1185 C CG  . PRO A 1 146 ? 7.708   22.070  16.483 1.000 14.683 0 144 PRO AAA CG  1 ? 
ATOM   1186 C CD  . PRO A 1 146 ? 7.233   21.087  17.516 1.000 12.050 0 144 PRO AAA CD  1 ? 
ATOM   1187 N N   . TRP A 1 147 ? 4.475   23.477  17.740 1.000 10.571 0 145 TRP AAA N   1 ? 
ATOM   1188 C CA  . TRP A 1 147 ? 3.151   24.126  17.627 1.000 10.667 0 145 TRP AAA CA  1 ? 
ATOM   1189 C C   . TRP A 1 147 ? 2.713   24.510  19.038 1.000 10.646 0 145 TRP AAA C   1 ? 
ATOM   1190 O O   . TRP A 1 147 ? 2.299   25.663  19.266 1.000 10.979 0 145 TRP AAA O   1 ? 
ATOM   1191 C CB  . TRP A 1 147 ? 2.131   23.233  16.941 1.000 10.812 0 145 TRP AAA CB  1 ? 
ATOM   1192 C CG  . TRP A 1 147 ? 0.793   23.863  16.763 1.000 11.591 0 145 TRP AAA CG  1 ? 
ATOM   1193 C CD1 . TRP A 1 147 ? 0.374   24.546  15.660 1.000 12.076 0 145 TRP AAA CD1 1 ? 
ATOM   1194 C CD2 . TRP A 1 147 ? -0.336  23.799  17.647 1.000 11.781 0 145 TRP AAA CD2 1 ? 
ATOM   1195 N NE1 . TRP A 1 147 ? -0.927  24.933  15.811 1.000 12.583 0 145 TRP AAA NE1 1 ? 
ATOM   1196 C CE2 . TRP A 1 147 ? -1.387  24.515  17.035 1.000 12.859 0 145 TRP AAA CE2 1 ? 
ATOM   1197 C CE3 . TRP A 1 147 ? -0.538  23.278  18.931 1.000 12.711 0 145 TRP AAA CE3 1 ? 
ATOM   1198 C CZ2 . TRP A 1 147 ? -2.638  24.672  17.622 1.000 14.190 0 145 TRP AAA CZ2 1 ? 
ATOM   1199 C CZ3 . TRP A 1 147 ? -1.789  23.413  19.510 1.000 13.322 0 145 TRP AAA CZ3 1 ? 
ATOM   1200 C CH2 . TRP A 1 147 ? -2.815  24.139  18.874 1.000 13.579 0 145 TRP AAA CH2 1 ? 
ATOM   1201 N N   . LEU A 1 148 ? 2.829   23.606  19.990 1.000 9.990  0 146 LEU AAA N   1 ? 
ATOM   1202 C CA  . LEU A 1 148 ? 2.408   23.931  21.370 1.000 10.501 0 146 LEU AAA CA  1 ? 
ATOM   1203 C C   . LEU A 1 148 ? 3.202   25.124  21.890 1.000 10.524 0 146 LEU AAA C   1 ? 
ATOM   1204 O O   . LEU A 1 148 ? 2.673   25.923  22.656 1.000 10.748 0 146 LEU AAA O   1 ? 
ATOM   1205 C CB  . LEU A 1 148 ? 2.631   22.732  22.273 1.000 10.095 0 146 LEU AAA CB  1 ? 
ATOM   1206 C CG  . LEU A 1 148 ? 1.743   21.507  22.038 1.000 10.692 0 146 LEU AAA CG  1 ? 
ATOM   1207 C CD1 . LEU A 1 148 ? 2.305   20.330  22.809 1.000 11.503 0 146 LEU AAA CD1 1 ? 
ATOM   1208 C CD2 . LEU A 1 148 ? 0.311   21.771  22.428 1.000 11.756 0 146 LEU AAA CD2 1 ? 
ATOM   1209 N N   . ALA A 1 149 ? 4.488   25.138  21.597 1.000 10.927 0 147 ALA AAA N   1 ? 
ATOM   1210 C CA  . ALA A 1 149 ? 5.440   26.123  22.171 1.000 10.129 0 147 ALA AAA CA  1 ? 
ATOM   1211 C C   . ALA A 1 149 ? 5.119   27.549  21.667 1.000 11.061 0 147 ALA AAA C   1 ? 
ATOM   1212 O O   . ALA A 1 149 ? 5.639   28.526  22.216 1.000 11.259 0 147 ALA AAA O   1 ? 
ATOM   1213 C CB  . ALA A 1 149 ? 6.861   25.731  21.898 1.000 11.037 0 147 ALA AAA CB  1 ? 
ATOM   1214 N N   . VAL A 1 150 ? 4.348   27.690  20.608 1.000 11.255 0 148 VAL AAA N   1 ? 
ATOM   1215 C CA  . VAL A 1 150 ? 3.832   29.007  20.167 1.000 11.568 0 148 VAL AAA CA  1 ? 
ATOM   1216 C C   . VAL A 1 150 ? 2.406   29.183  20.655 1.000 12.802 0 148 VAL AAA C   1 ? 
ATOM   1217 O O   . VAL A 1 150 ? 2.106   30.212  21.295 1.000 12.601 0 148 VAL AAA O   1 ? 
ATOM   1218 C CB  . VAL A 1 150 ? 3.912   29.157  18.644 1.000 11.961 0 148 VAL AAA CB  1 ? 
ATOM   1219 C CG1 . VAL A 1 150 ? 3.229   30.430  18.229 1.000 12.719 0 148 VAL AAA CG1 1 ? 
ATOM   1220 C CG2 . VAL A 1 150 ? 5.338   29.104  18.144 1.000 12.765 0 148 VAL AAA CG2 1 ? 
ATOM   1221 N N   . GLU A 1 151 ? 1.518   28.232  20.350 1.000 11.336 0 149 GLU AAA N   1 ? 
ATOM   1222 C CA  . GLU A 1 151 ? 0.068   28.484  20.504 1.000 12.333 0 149 GLU AAA CA  1 ? 
ATOM   1223 C C   . GLU A 1 151 ? -0.351  28.434  21.987 1.000 11.938 0 149 GLU AAA C   1 ? 
ATOM   1224 O O   . GLU A 1 151 ? -1.227  29.240  22.355 1.000 13.110 0 149 GLU AAA O   1 ? 
ATOM   1225 C CB  . GLU A 1 151 ? -0.724  27.510  19.638 1.000 13.185 0 149 GLU AAA CB  1 ? 
ATOM   1226 C CG  . GLU A 1 151 ? -0.428  27.613  18.171 1.000 14.449 0 149 GLU AAA CG  1 ? 
ATOM   1227 C CD  . GLU A 1 151 ? -0.320  29.003  17.563 1.000 17.161 0 149 GLU AAA CD  1 ? 
ATOM   1228 O OE1 . GLU A 1 151 ? -1.121  29.877  17.963 1.000 22.721 0 149 GLU AAA OE1 1 ? 
ATOM   1229 O OE2 . GLU A 1 151 ? 0.555   29.191  16.673 1.000 20.011 0 149 GLU AAA OE2 1 ? 
ATOM   1230 N N   . ILE A 1 152 ? 0.185   27.565  22.849 1.000 11.934 0 150 ILE AAA N   1 ? 
ATOM   1231 C CA  . ILE A 1 152 ? -0.325  27.446  24.227 1.000 11.410 0 150 ILE AAA CA  1 ? 
ATOM   1232 C C   . ILE A 1 152 ? 0.056   28.699  25.014 1.000 11.889 0 150 ILE AAA C   1 ? 
ATOM   1233 O O   . ILE A 1 152 ? -0.833  29.280  25.628 1.000 12.852 0 150 ILE AAA O   1 ? 
ATOM   1234 C CB  . ILE A 1 152 ? 0.082   26.142  24.895 1.000 11.174 0 150 ILE AAA CB  1 ? 
ATOM   1235 C CG1 . ILE A 1 152 ? -0.342  24.937  24.048 1.000 11.838 0 150 ILE AAA CG1 1 ? 
ATOM   1236 C CG2 . ILE A 1 152 ? -0.523  26.113  26.284 1.000 11.600 0 150 ILE AAA CG2 1 ? 
ATOM   1237 C CD1 . ILE A 1 152 ? -1.795  24.871  23.678 1.000 11.671 0 150 ILE AAA CD1 1 ? 
ATOM   1238 N N   . PRO A 1 153 ? 1.297   29.228  24.937 1.000 11.820 0 151 PRO AAA N   1 ? 
ATOM   1239 C CA  . PRO A 1 153 ? 1.579   30.508  25.588 1.000 12.181 0 151 PRO AAA CA  1 ? 
ATOM   1240 C C   . PRO A 1 153 ? 0.628   31.592  25.088 1.000 12.027 0 151 PRO AAA C   1 ? 
ATOM   1241 O O   . PRO A 1 153 ? 0.198   32.423  25.924 1.000 14.535 0 151 PRO AAA O   1 ? 
ATOM   1242 C CB  . PRO A 1 153 ? 3.036   30.759  25.277 1.000 12.545 0 151 PRO AAA CB  1 ? 
ATOM   1243 C CG  . PRO A 1 153 ? 3.608   29.365  25.114 1.000 11.435 0 151 PRO AAA CG  1 ? 
ATOM   1244 C CD  . PRO A 1 153 ? 2.518   28.614  24.381 1.000 11.149 0 151 PRO AAA CD  1 ? 
ATOM   1245 N N   . ASP A 1 154 ? 0.354   31.641  23.784 1.000 12.977 0 152 ASP AAA N   1 ? 
ATOM   1246 C CA  . ASP A 1 154 ? -0.491  32.700  23.184 1.000 13.941 0 152 ASP AAA CA  1 ? 
ATOM   1247 C C   . ASP A 1 154 ? -1.891  32.587  23.782 1.000 16.024 0 152 ASP AAA C   1 ? 
ATOM   1248 O O   . ASP A 1 154 ? -2.464  33.601  24.232 1.000 16.666 0 152 ASP AAA O   1 ? 
ATOM   1249 C CB  . ASP A 1 154 ? -0.484  32.587  21.665 1.000 13.853 0 152 ASP AAA CB  1 ? 
ATOM   1250 C CG  . ASP A 1 154 ? -1.290  33.686  21.006 1.000 17.070 0 152 ASP AAA CG  1 ? 
ATOM   1251 O OD1 . ASP A 1 154 ? -0.953  34.859  21.294 1.000 19.586 0 152 ASP AAA OD1 1 ? 
ATOM   1252 O OD2 . ASP A 1 154 ? -2.252  33.356  20.300 1.000 20.358 0 152 ASP AAA OD2 1 ? 
ATOM   1253 N N   . LEU A 1 155 ? -2.455  31.385  23.833 1.000 15.048 0 153 LEU AAA N   1 ? 
ATOM   1254 C CA  . LEU A 1 155 ? -3.848  31.199  24.300 1.000 15.505 0 153 LEU AAA CA  1 ? 
ATOM   1255 C C   . LEU A 1 155 ? -3.961  31.398  25.809 1.000 14.637 0 153 LEU AAA C   1 ? 
ATOM   1256 O O   . LEU A 1 155 ? -4.998  31.873  26.263 1.000 15.555 0 153 LEU AAA O   1 ? 
ATOM   1257 C CB  . LEU A 1 155 ? -4.338  29.813  23.913 1.000 16.789 0 153 LEU AAA CB  1 ? 
ATOM   1258 C CG  . LEU A 1 155 ? -4.400  29.589  22.410 1.000 18.649 0 153 LEU AAA CG  1 ? 
ATOM   1259 C CD1 . LEU A 1 155 ? -4.600  28.118  22.103 1.000 20.443 0 153 LEU AAA CD1 1 ? 
ATOM   1260 C CD2 . LEU A 1 155 ? -5.488  30.443  21.779 1.000 22.215 0 153 LEU AAA CD2 1 ? 
ATOM   1261 N N   . ILE A 1 156 ? -2.906  31.141  26.585 1.000 13.934 0 154 ILE AAA N   1 ? 
ATOM   1262 C CA  . ILE A 1 156 ? -2.897  31.442  28.036 1.000 14.312 0 154 ILE AAA CA  1 ? 
ATOM   1263 C C   . ILE A 1 156 ? -2.902  32.973  28.184 1.000 15.921 0 154 ILE AAA C   1 ? 
ATOM   1264 O O   . ILE A 1 156 ? -3.707  33.487  29.004 1.000 16.197 0 154 ILE AAA O   1 ? 
ATOM   1265 C CB  . ILE A 1 156 ? -1.699  30.797  28.742 1.000 14.668 0 154 ILE AAA CB  1 ? 
ATOM   1266 C CG1 . ILE A 1 156 ? -1.797  29.264  28.737 1.000 13.367 0 154 ILE AAA CG1 1 ? 
ATOM   1267 C CG2 . ILE A 1 156 ? -1.553  31.379  30.145 1.000 15.597 0 154 ILE AAA CG2 1 ? 
ATOM   1268 C CD1 . ILE A 1 156 ? -0.554  28.531  29.107 1.000 14.275 0 154 ILE AAA CD1 1 ? 
ATOM   1269 N N   . GLN A 1 157 ? -2.056  33.672  27.443 1.000 15.342 0 155 GLN AAA N   1 ? 
ATOM   1270 C CA  . GLN A 1 157 ? -1.939  35.159  27.550 1.000 17.429 0 155 GLN AAA CA  1 ? 
ATOM   1271 C C   . GLN A 1 157 ? -3.294  35.774  27.181 1.000 17.466 0 155 GLN AAA C   1 ? 
ATOM   1272 O O   . GLN A 1 157 ? -3.715  36.736  27.881 1.000 21.853 0 155 GLN AAA O   1 ? 
ATOM   1273 C CB  . GLN A 1 157 ? -0.775  35.641  26.683 1.000 20.390 0 155 GLN AAA CB  1 ? 
ATOM   1274 C CG  . GLN A 1 157 ? -0.726  37.139  26.419 1.000 26.150 0 155 GLN AAA CG  1 ? 
ATOM   1275 C CD  . GLN A 1 157 ? -1.171  37.364  24.988 1.000 32.007 0 155 GLN AAA CD  1 ? 
ATOM   1276 O OE1 . GLN A 1 157 ? -2.116  38.085  24.772 1.000 29.701 0 155 GLN AAA OE1 1 ? 
ATOM   1277 N NE2 . GLN A 1 157 ? -0.526  36.720  23.994 1.000 34.419 0 155 GLN AAA NE2 1 ? 
ATOM   1278 N N   . LYS A 1 158 ? -3.998  35.237  26.190 1.000 18.020 0 156 LYS AAA N   1 ? 
ATOM   1279 C CA  . LYS A 1 158 ? -5.278  35.817  25.688 1.000 17.067 0 156 LYS AAA CA  1 ? 
ATOM   1280 C C   . LYS A 1 158 ? -6.448  35.440  26.612 1.000 20.436 0 156 LYS AAA C   1 ? 
ATOM   1281 O O   . LYS A 1 158 ? -7.566  35.908  26.298 1.000 21.851 0 156 LYS AAA O   1 ? 
ATOM   1282 C CB  . LYS A 1 158 ? -5.543  35.353  24.261 1.000 17.712 0 156 LYS AAA CB  1 ? 
ATOM   1283 C CG  . LYS A 1 158 ? -4.619  36.002  23.253 1.000 18.787 0 156 LYS AAA CG  1 ? 
ATOM   1284 C CD  . LYS A 1 158 ? -4.625  35.406  21.888 1.000 20.777 0 156 LYS AAA CD  1 ? 
ATOM   1285 C CE  . LYS A 1 158 ? -3.985  36.336  20.865 1.000 21.419 0 156 LYS AAA CE  1 ? 
ATOM   1286 N NZ  . LYS A 1 158 ? -3.744  35.628  19.591 1.000 24.835 0 156 LYS AAA NZ  1 ? 
ATOM   1287 N N   . GLY A 1 159 ? -6.232  34.615  27.653 1.000 18.607 0 157 GLY AAA N   1 ? 
ATOM   1288 C CA  . GLY A 1 159 ? -7.256  34.147  28.598 1.000 21.016 0 157 GLY AAA CA  1 ? 
ATOM   1289 C C   . GLY A 1 159 ? -8.209  33.151  27.950 1.000 21.223 0 157 GLY AAA C   1 ? 
ATOM   1290 O O   . GLY A 1 159 ? -9.328  32.950  28.471 1.000 22.104 0 157 GLY AAA O   1 ? 
ATOM   1291 N N   . VAL A 1 160 ? -7.780  32.496  26.871 1.000 18.023 0 158 VAL AAA N   1 ? 
ATOM   1292 C CA  . VAL A 1 160 ? -8.549  31.415  26.197 1.000 19.210 0 158 VAL AAA CA  1 ? 
ATOM   1293 C C   . VAL A 1 160 ? -8.362  30.108  26.987 1.000 19.585 0 158 VAL AAA C   1 ? 
ATOM   1294 O O   . VAL A 1 160 ? -9.345  29.303  27.057 1.000 22.816 0 158 VAL AAA O   1 ? 
ATOM   1295 C CB  . VAL A 1 160 ? -8.068  31.300  24.736 1.000 20.370 0 158 VAL AAA CB  1 ? 
ATOM   1296 C CG1 . VAL A 1 160 ? -8.750  30.159  23.994 1.000 21.785 0 158 VAL AAA CG1 1 ? 
ATOM   1297 C CG2 . VAL A 1 160 ? -8.241  32.603  23.979 1.000 22.747 0 158 VAL AAA CG2 1 ? 
ATOM   1298 N N   . ILE A 1 161 ? -7.134  29.819  27.424 1.000 19.100 0 159 ILE AAA N   1 ? 
ATOM   1299 C CA  . ILE A 1 161 ? -6.756  28.604  28.208 1.000 20.955 0 159 ILE AAA CA  1 ? 
ATOM   1300 C C   . ILE A 1 161 ? -6.585  29.063  29.661 1.000 20.722 0 159 ILE AAA C   1 ? 
ATOM   1301 O O   . ILE A 1 161 ? -5.859  30.043  29.906 1.000 23.439 0 159 ILE AAA O   1 ? 
ATOM   1302 C CB  . ILE A 1 161 ? -5.485  27.919  27.636 1.000 19.857 0 159 ILE AAA CB  1 ? 
ATOM   1303 C CG1 . ILE A 1 161 ? -5.758  27.406  26.211 1.000 22.414 0 159 ILE AAA CG1 1 ? 
ATOM   1304 C CG2 . ILE A 1 161 ? -4.971  26.815  28.538 1.000 22.786 0 159 ILE AAA CG2 1 ? 
ATOM   1305 C CD1 . ILE A 1 161 ? -4.583  26.759  25.515 1.000 22.433 0 159 ILE AAA CD1 1 ? 
ATOM   1306 N N   . HIS A 1 162 ? -7.266  28.378  30.574 1.000 22.046 0 160 HIS AAA N   1 ? 
ATOM   1307 C CA  . HIS A 1 162 ? -7.161  28.561  32.037 1.000 24.281 0 160 HIS AAA CA  1 ? 
ATOM   1308 C C   . HIS A 1 162 ? -6.634  27.267  32.619 1.000 22.515 0 160 HIS AAA C   1 ? 
ATOM   1309 O O   . HIS A 1 162 ? -6.935  26.199  32.094 1.000 27.868 0 160 HIS AAA O   1 ? 
ATOM   1310 C CB  . HIS A 1 162 ? -8.542  28.903  32.628 1.000 27.568 0 160 HIS AAA CB  1 ? 
ATOM   1311 C CG  . HIS A 1 162 ? -9.195  29.998  31.868 1.000 28.315 0 160 HIS AAA CG  1 ? 
ATOM   1312 N ND1 . HIS A 1 162 ? -8.851  31.318  32.062 1.000 33.942 0 160 HIS AAA ND1 1 ? 
ATOM   1313 C CD2 . HIS A 1 162 ? -10.054 29.972  30.828 1.000 34.582 0 160 HIS AAA CD2 1 ? 
ATOM   1314 C CE1 . HIS A 1 162 ? -9.520  32.067  31.216 1.000 30.912 0 160 HIS AAA CE1 1 ? 
ATOM   1315 N NE2 . HIS A 1 162 ? -10.265 31.268  30.452 1.000 36.320 0 160 HIS AAA NE2 1 ? 
ATOM   1316 N N   . HIS A 1 163 ? -5.888  27.371  33.710 1.000 20.421 0 161 HIS AAA N   1 ? 
ATOM   1317 C CA  . HIS A 1 163 ? -5.379  26.186  34.421 1.000 20.586 0 161 HIS AAA CA  1 ? 
ATOM   1318 C C   . HIS A 1 163 ? -6.441  25.820  35.461 1.000 22.729 0 161 HIS AAA C   1 ? 
ATOM   1319 O O   . HIS A 1 163 ? -6.822  26.720  36.222 1.000 25.406 0 161 HIS AAA O   1 ? 
ATOM   1320 C CB  . HIS A 1 163 ? -4.017  26.495  35.013 1.000 17.648 0 161 HIS AAA CB  1 ? 
ATOM   1321 C CG  . HIS A 1 163 ? -3.310  25.280  35.471 1.000 15.624 0 161 HIS AAA CG  1 ? 
ATOM   1322 N ND1 . HIS A 1 163 ? -3.370  24.891  36.796 1.000 16.059 0 161 HIS AAA ND1 1 ? 
ATOM   1323 C CD2 . HIS A 1 163 ? -2.547  24.359  34.831 1.000 15.606 0 161 HIS AAA CD2 1 ? 
ATOM   1324 C CE1 . HIS A 1 163 ? -2.651  23.804  36.946 1.000 17.180 0 161 HIS AAA CE1 1 ? 
ATOM   1325 N NE2 . HIS A 1 163 ? -2.151  23.453  35.744 1.000 16.750 0 161 HIS AAA NE2 1 ? 
ATOM   1326 N N   . LYS A 1 164 ? -6.838  24.567  35.536 1.000 27.338 0 162 LYS AAA N   1 ? 
ATOM   1327 C CA  . LYS A 1 164 ? -7.812  24.180  36.596 1.000 33.039 0 162 LYS AAA CA  1 ? 
ATOM   1328 C C   . LYS A 1 164 ? -7.051  23.954  37.911 1.000 28.435 0 162 LYS AAA C   1 ? 
ATOM   1329 O O   . LYS A 1 164 ? -6.050  23.228  37.917 1.000 29.651 0 162 LYS AAA O   1 ? 
ATOM   1330 C CB  . LYS A 1 164 ? -8.656  22.968  36.195 1.000 37.851 0 162 LYS AAA CB  1 ? 
ATOM   1331 C CG  . LYS A 1 164 ? -9.864  23.310  35.328 1.000 43.787 0 162 LYS AAA CG  1 ? 
ATOM   1332 C CD  . LYS A 1 164 ? -10.756 22.125  34.970 1.000 49.228 0 162 LYS AAA CD  1 ? 
ATOM   1333 C CE  . LYS A 1 164 ? -10.016 20.813  34.808 1.000 54.315 0 162 LYS AAA CE  1 ? 
ATOM   1334 N NZ  . LYS A 1 164 ? -10.532 20.040  33.652 1.000 60.095 0 162 LYS AAA NZ  1 ? 
ATOM   1335 N N   . GLU A 1 165 ? -7.535  24.592  38.971 1.000 32.475 0 163 GLU AAA N   1 ? 
ATOM   1336 C CA  . GLU A 1 165 ? -7.035  24.453  40.358 1.000 30.189 0 163 GLU AAA CA  1 ? 
ATOM   1337 C C   . GLU A 1 165 ? -7.346  23.018  40.799 1.000 35.393 0 163 GLU AAA C   1 ? 
ATOM   1338 O O   . GLU A 1 165 ? -8.534  22.735  41.027 1.000 39.467 0 163 GLU AAA O   1 ? 
ATOM   1339 C CB  . GLU A 1 165 ? -7.698  25.529  41.229 1.000 31.517 0 163 GLU AAA CB  1 ? 
ATOM   1340 C CG  . GLU A 1 165 ? -7.205  25.530  42.666 1.000 29.249 0 163 GLU AAA CG  1 ? 
ATOM   1341 C CD  . GLU A 1 165 ? -5.694  25.683  42.736 1.000 29.075 0 163 GLU AAA CD  1 ? 
ATOM   1342 O OE1 . GLU A 1 165 ? -5.016  24.713  43.108 1.000 31.102 0 163 GLU AAA OE1 1 ? 
ATOM   1343 O OE2 . GLU A 1 165 ? -5.219  26.775  42.412 1.000 24.040 0 163 GLU AAA OE2 1 ? 
ATOM   1344 N N   . LYS A 1 166 ? -6.335  22.140  40.828 1.000 36.111 0 164 LYS AAA N   1 ? 
ATOM   1345 C CA  . LYS A 1 166 ? -6.445  20.712  41.229 1.000 40.303 0 164 LYS AAA CA  1 ? 
ATOM   1346 C C   . LYS A 1 166 ? -5.436  20.407  42.333 1.000 40.223 0 164 LYS AAA C   1 ? 
ATOM   1347 O O   . LYS A 1 166 ? -4.303  20.961  42.229 1.000 33.751 0 164 LYS AAA O   1 ? 
ATOM   1348 C CB  . LYS A 1 166 ? -6.100  19.768  40.077 1.000 46.179 0 164 LYS AAA CB  1 ? 
ATOM   1349 C CG  . LYS A 1 166 ? -6.984  19.888  38.845 1.000 55.764 0 164 LYS AAA CG  1 ? 
ATOM   1350 C CD  . LYS A 1 166 ? -6.791  18.745  37.852 1.000 59.491 0 164 LYS AAA CD  1 ? 
ATOM   1351 C CE  . LYS A 1 166 ? -7.749  17.585  38.044 1.000 62.333 0 164 LYS AAA CE  1 ? 
ATOM   1352 N NZ  . LYS A 1 166 ? -9.080  17.882  37.460 1.000 62.913 0 164 LYS AAA NZ  1 ? 
ATOM   1353 N N   . CYS A 1 167 ? -5.858  19.590  43.320 1.000 39.395 0 165 CYS AAA N   1 ? 
ATOM   1354 C CA  . CYS A 1 167 ? -5.045  18.812  44.312 1.000 39.321 0 165 CYS AAA CA  1 ? 
ATOM   1355 C C   . CYS A 1 167 ? -4.592  19.620  45.537 1.000 26.756 0 165 CYS AAA C   1 ? 
ATOM   1356 O O   . CYS A 1 167 ? -4.534  20.747  45.675 1.000 18.246 0 165 CYS AAA O   1 ? 
ATOM   1357 C CB  . CYS A 1 167 ? -3.820  18.214  43.646 1.000 43.116 0 165 CYS AAA CB  1 ? 
ATOM   1358 S SG  . CYS A 1 167 ? -4.240  16.932  42.434 1.000 53.854 0 165 CYS AAA SG  1 ? 
HETATM 1359 C C1  . GOL B 2 .   ? 11.133  -5.617  14.252 1.000 21.640 0 201 GOL AAA C1  1 ? 
HETATM 1360 O O1  . GOL B 2 .   ? 11.951  -6.789  14.145 1.000 17.927 0 201 GOL AAA O1  1 ? 
HETATM 1361 C C2  . GOL B 2 .   ? 11.988  -4.369  14.276 1.000 20.636 0 201 GOL AAA C2  1 ? 
HETATM 1362 O O2  . GOL B 2 .   ? 12.195  -3.950  12.910 1.000 18.509 0 201 GOL AAA O2  1 ? 
HETATM 1363 C C3  . GOL B 2 .   ? 13.285  -4.624  15.034 1.000 20.689 0 201 GOL AAA C3  1 ? 
HETATM 1364 O O3  . GOL B 2 .   ? 14.194  -3.520  14.971 1.000 20.094 0 201 GOL AAA O3  1 ? 
HETATM 1365 C C1  . GOL C 2 .   ? 0.893   17.375  9.601  1.000 21.598 0 202 GOL AAA C1  1 ? 
HETATM 1366 O O1  . GOL C 2 .   ? 0.770   17.837  8.255  1.000 21.771 0 202 GOL AAA O1  1 ? 
HETATM 1367 C C2  . GOL C 2 .   ? 0.036   18.233  10.504 1.000 21.033 0 202 GOL AAA C2  1 ? 
HETATM 1368 O O2  . GOL C 2 .   ? -1.328  18.106  10.081 1.000 24.253 0 202 GOL AAA O2  1 ? 
HETATM 1369 C C3  . GOL C 2 .   ? 0.172   17.915  11.978 1.000 21.143 0 202 GOL AAA C3  1 ? 
HETATM 1370 O O3  . GOL C 2 .   ? -0.332  16.626  12.311 1.000 19.092 0 202 GOL AAA O3  1 ? 
HETATM 1371 O O   . HOH D 3 .   ? -2.960  39.629  23.379 1.000 39.998 0 301 HOH AAA O   1 ? 
HETATM 1372 O O   . HOH D 3 .   ? 3.768   21.982  37.220 1.000 32.279 0 302 HOH AAA O   1 ? 
HETATM 1373 O O   . HOH D 3 .   ? -9.321  22.631  27.483 1.000 45.455 0 303 HOH AAA O   1 ? 
HETATM 1374 O O   . HOH D 3 .   ? 20.110  9.183   14.058 1.000 20.310 0 304 HOH AAA O   1 ? 
HETATM 1375 O O   . HOH D 3 .   ? -8.094  18.422  43.365 1.000 46.615 0 305 HOH AAA O   1 ? 
HETATM 1376 O O   . HOH D 3 .   ? 6.795   5.728   1.627  1.000 19.314 0 306 HOH AAA O   1 ? 
HETATM 1377 O O   . HOH D 3 .   ? -7.108  -8.973  19.809 1.000 48.653 0 307 HOH AAA O   1 ? 
HETATM 1378 O O   . HOH D 3 .   ? -9.891  27.853  14.589 1.000 48.888 0 308 HOH AAA O   1 ? 
HETATM 1379 O O   . HOH D 3 .   ? -6.506  14.059  33.313 1.000 44.554 0 309 HOH AAA O   1 ? 
HETATM 1380 O O   . HOH D 3 .   ? 3.862   34.739  31.664 1.000 38.853 0 310 HOH AAA O   1 ? 
HETATM 1381 O O   . HOH D 3 .   ? -2.306  19.614  8.246  1.000 29.067 0 311 HOH AAA O   1 ? 
HETATM 1382 O O   . HOH D 3 .   ? 17.695  5.867   29.852 1.000 31.952 0 312 HOH AAA O   1 ? 
HETATM 1383 O O   . HOH D 3 .   ? -2.657  -4.206  11.428 1.000 39.127 0 313 HOH AAA O   1 ? 
HETATM 1384 O O   . HOH D 3 .   ? 12.222  7.756   0.034  1.000 23.185 0 314 HOH AAA O   1 ? 
HETATM 1385 O O   . HOH D 3 .   ? 22.801  12.489  16.391 1.000 39.731 0 315 HOH AAA O   1 ? 
HETATM 1386 O O   . HOH D 3 .   ? 20.342  17.082  19.571 1.000 25.036 0 316 HOH AAA O   1 ? 
HETATM 1387 O O   . HOH D 3 .   ? -9.272  2.565   1.110  1.000 35.470 0 317 HOH AAA O   1 ? 
HETATM 1388 O O   . HOH D 3 .   ? -3.000  30.909  19.444 1.000 25.049 0 318 HOH AAA O   1 ? 
HETATM 1389 O O   . HOH D 3 .   ? 1.051   32.066  33.614 1.000 23.259 0 319 HOH AAA O   1 ? 
HETATM 1390 O O   . HOH D 3 .   ? -2.468  -2.468  -0.000 0.500 30.121 0 320 HOH AAA O   1 ? 
HETATM 1391 O O   . HOH D 3 .   ? 9.647   17.350  36.286 1.000 32.982 0 321 HOH AAA O   1 ? 
HETATM 1392 O O   . HOH D 3 .   ? -5.319  32.446  30.799 1.000 25.490 0 322 HOH AAA O   1 ? 
HETATM 1393 O O   . HOH D 3 .   ? -3.248  18.695  11.886 1.000 18.162 0 323 HOH AAA O   1 ? 
HETATM 1394 O O   . HOH D 3 .   ? 17.665  8.326   26.537 1.000 28.059 0 324 HOH AAA O   1 ? 
HETATM 1395 O O   . HOH D 3 .   ? 1.394   29.336  10.874 1.000 36.283 0 325 HOH AAA O   1 ? 
HETATM 1396 O O   . HOH D 3 .   ? -0.743  16.313  6.730  1.000 19.551 0 326 HOH AAA O   1 ? 
HETATM 1397 O O   . HOH D 3 .   ? -6.832  4.919   8.863  1.000 47.231 0 327 HOH AAA O   1 ? 
HETATM 1398 O O   . HOH D 3 .   ? 13.719  15.132  20.397 1.000 24.320 0 328 HOH AAA O   1 ? 
HETATM 1399 O O   . HOH D 3 .   ? -8.449  0.963   10.374 1.000 28.656 0 329 HOH AAA O   1 ? 
HETATM 1400 O O   . HOH D 3 .   ? 4.753   29.452  2.689  1.000 44.350 0 330 HOH AAA O   1 ? 
HETATM 1401 O O   . HOH D 3 .   ? -3.129  13.490  6.323  1.000 30.605 0 331 HOH AAA O   1 ? 
HETATM 1402 O O   . HOH D 3 .   ? -3.448  12.559  33.149 1.000 36.594 0 332 HOH AAA O   1 ? 
HETATM 1403 O O   . HOH D 3 .   ? -1.484  1.058   1.009  1.000 47.155 0 333 HOH AAA O   1 ? 
HETATM 1404 O O   . HOH D 3 .   ? -8.865  -5.955  14.116 1.000 22.292 0 334 HOH AAA O   1 ? 
HETATM 1405 O O   . HOH D 3 .   ? 7.724   11.183  33.570 1.000 27.175 0 335 HOH AAA O   1 ? 
HETATM 1406 O O   . HOH D 3 .   ? 2.200   27.904  15.023 1.000 24.641 0 336 HOH AAA O   1 ? 
HETATM 1407 O O   . HOH D 3 .   ? -13.945 30.782  16.912 1.000 37.597 0 337 HOH AAA O   1 ? 
HETATM 1408 O O   . HOH D 3 .   ? 5.437   -8.748  2.291  1.000 35.399 0 338 HOH AAA O   1 ? 
HETATM 1409 O O   . HOH D 3 .   ? 7.953   25.612  25.242 1.000 21.407 0 339 HOH AAA O   1 ? 
HETATM 1410 O O   . HOH D 3 .   ? -0.525  27.381  4.156  1.000 30.429 0 340 HOH AAA O   1 ? 
HETATM 1411 O O   . HOH D 3 .   ? -2.011  20.401  40.943 1.000 48.161 0 341 HOH AAA O   1 ? 
HETATM 1412 O O   . HOH D 3 .   ? 6.291   23.146  38.201 1.000 33.903 0 342 HOH AAA O   1 ? 
HETATM 1413 O O   . HOH D 3 .   ? 5.946   27.884  28.039 1.000 19.594 0 343 HOH AAA O   1 ? 
HETATM 1414 O O   . HOH D 3 .   ? 10.195  -3.695  5.448  1.000 15.264 0 344 HOH AAA O   1 ? 
HETATM 1415 O O   . HOH D 3 .   ? 11.530  -7.048  11.446 1.000 15.213 0 345 HOH AAA O   1 ? 
HETATM 1416 O O   . HOH D 3 .   ? -1.004  1.415   21.947 1.000 13.040 0 346 HOH AAA O   1 ? 
HETATM 1417 O O   . HOH D 3 .   ? 0.710   29.391  33.136 1.000 15.181 0 347 HOH AAA O   1 ? 
HETATM 1418 O O   . HOH D 3 .   ? -14.574 25.311  14.948 1.000 22.494 0 348 HOH AAA O   1 ? 
HETATM 1419 O O   . HOH D 3 .   ? 1.668   31.063  15.067 1.000 24.981 0 349 HOH AAA O   1 ? 
HETATM 1420 O O   . HOH D 3 .   ? -13.982 19.480  19.762 1.000 16.875 0 350 HOH AAA O   1 ? 
HETATM 1421 O O   . HOH D 3 .   ? 10.667  22.659  4.717  1.000 21.238 0 351 HOH AAA O   1 ? 
HETATM 1422 O O   . HOH D 3 .   ? 17.530  12.612  26.852 1.000 19.766 0 352 HOH AAA O   1 ? 
HETATM 1423 O O   . HOH D 3 .   ? -12.363 31.878  28.846 1.000 50.388 0 353 HOH AAA O   1 ? 
HETATM 1424 O O   . HOH D 3 .   ? 12.717  -2.714  18.791 1.000 16.199 0 354 HOH AAA O   1 ? 
HETATM 1425 O O   . HOH D 3 .   ? 15.145  4.272   6.484  1.000 16.143 0 355 HOH AAA O   1 ? 
HETATM 1426 O O   . HOH D 3 .   ? 3.651   -0.765  0.370  1.000 33.468 0 356 HOH AAA O   1 ? 
HETATM 1427 O O   . HOH D 3 .   ? -13.683 18.484  17.232 1.000 27.807 0 357 HOH AAA O   1 ? 
HETATM 1428 O O   . HOH D 3 .   ? 15.483  10.371  13.670 1.000 14.899 0 358 HOH AAA O   1 ? 
HETATM 1429 O O   . HOH D 3 .   ? 13.445  20.760  32.818 1.000 19.491 0 359 HOH AAA O   1 ? 
HETATM 1430 O O   . HOH D 3 .   ? -6.429  12.834  11.984 1.000 18.385 0 360 HOH AAA O   1 ? 
HETATM 1431 O O   . HOH D 3 .   ? -0.008  26.030  6.898  1.000 29.902 0 361 HOH AAA O   1 ? 
HETATM 1432 O O   . HOH D 3 .   ? -5.513  29.926  34.593 1.000 36.439 0 362 HOH AAA O   1 ? 
HETATM 1433 O O   . HOH D 3 .   ? 7.118   6.521   15.590 1.000 12.152 0 363 HOH AAA O   1 ? 
HETATM 1434 O O   . HOH D 3 .   ? -15.961 21.857  14.448 1.000 27.274 0 364 HOH AAA O   1 ? 
HETATM 1435 O O   . HOH D 3 .   ? 7.467   -7.912  11.062 1.000 15.243 0 365 HOH AAA O   1 ? 
HETATM 1436 O O   . HOH D 3 .   ? -3.454  -4.140  6.621  1.000 20.604 0 366 HOH AAA O   1 ? 
HETATM 1437 O O   . HOH D 3 .   ? 1.351   27.209  12.796 1.000 27.637 0 367 HOH AAA O   1 ? 
HETATM 1438 O O   . HOH D 3 .   ? -4.563  12.076  9.710  1.000 16.157 0 368 HOH AAA O   1 ? 
HETATM 1439 O O   . HOH D 3 .   ? 7.197   11.703  26.196 1.000 13.642 0 369 HOH AAA O   1 ? 
HETATM 1440 O O   . HOH D 3 .   ? 2.881   22.197  6.481  1.000 16.111 0 370 HOH AAA O   1 ? 
HETATM 1441 O O   . HOH D 3 .   ? 16.438  12.888  4.191  1.000 31.404 0 371 HOH AAA O   1 ? 
HETATM 1442 O O   . HOH D 3 .   ? 19.825  25.703  12.484 1.000 18.761 0 372 HOH AAA O   1 ? 
HETATM 1443 O O   . HOH D 3 .   ? 10.167  18.361  0.182  1.000 23.059 0 373 HOH AAA O   1 ? 
HETATM 1444 O O   . HOH D 3 .   ? -10.846 16.431  15.224 1.000 42.257 0 374 HOH AAA O   1 ? 
HETATM 1445 O O   . HOH D 3 .   ? 26.096  18.825  11.898 1.000 36.162 0 375 HOH AAA O   1 ? 
HETATM 1446 O O   . HOH D 3 .   ? -11.041 14.625  9.386  1.000 45.116 0 376 HOH AAA O   1 ? 
HETATM 1447 O O   . HOH D 3 .   ? -4.889  -1.899  9.396  1.000 25.023 0 377 HOH AAA O   1 ? 
HETATM 1448 O O   . HOH D 3 .   ? 23.174  19.339  9.403  1.000 26.003 0 378 HOH AAA O   1 ? 
HETATM 1449 O O   . HOH D 3 .   ? 13.096  21.334  11.412 1.000 30.855 0 379 HOH AAA O   1 ? 
HETATM 1450 O O   . HOH D 3 .   ? 11.320  13.075  33.437 1.000 29.454 0 380 HOH AAA O   1 ? 
HETATM 1451 O O   . HOH D 3 .   ? 7.700   9.217   6.398  1.000 13.735 0 381 HOH AAA O   1 ? 
HETATM 1452 O O   . HOH D 3 .   ? 13.896  -1.818  12.409 1.000 25.105 0 382 HOH AAA O   1 ? 
HETATM 1453 O O   . HOH D 3 .   ? 12.503  11.256  0.975  1.000 33.207 0 383 HOH AAA O   1 ? 
HETATM 1454 O O   . HOH D 3 .   ? 12.191  2.567   13.878 1.000 16.140 0 384 HOH AAA O   1 ? 
HETATM 1455 O O   . HOH D 3 .   ? -2.512  1.684   3.102  1.000 18.058 0 385 HOH AAA O   1 ? 
HETATM 1456 O O   . HOH D 3 .   ? -6.682  1.005   22.217 1.000 27.099 0 386 HOH AAA O   1 ? 
HETATM 1457 O O   . HOH D 3 .   ? 5.152   -8.394  9.563  1.000 15.500 0 387 HOH AAA O   1 ? 
HETATM 1458 O O   . HOH D 3 .   ? 22.767  18.960  20.441 1.000 23.363 0 388 HOH AAA O   1 ? 
HETATM 1459 O O   . HOH D 3 .   ? 0.820   2.711   23.604 1.000 16.271 0 389 HOH AAA O   1 ? 
HETATM 1460 O O   . HOH D 3 .   ? 0.994   23.676  5.162  1.000 20.575 0 390 HOH AAA O   1 ? 
HETATM 1461 O O   . HOH D 3 .   ? 17.412  3.031   19.901 1.000 19.288 0 391 HOH AAA O   1 ? 
HETATM 1462 O O   . HOH D 3 .   ? 14.137  13.592  23.719 1.000 16.163 0 392 HOH AAA O   1 ? 
HETATM 1463 O O   . HOH D 3 .   ? -10.417 16.949  8.179  1.000 42.214 0 393 HOH AAA O   1 ? 
HETATM 1464 O O   . HOH D 3 .   ? 6.848   23.654  10.916 1.000 21.678 0 394 HOH AAA O   1 ? 
HETATM 1465 O O   . HOH D 3 .   ? 5.410   13.278  0.689  1.000 21.979 0 395 HOH AAA O   1 ? 
HETATM 1466 O O   . HOH D 3 .   ? 15.682  19.847  6.924  1.000 23.586 0 396 HOH AAA O   1 ? 
HETATM 1467 O O   . HOH D 3 .   ? 9.278   11.539  6.390  1.000 14.674 0 397 HOH AAA O   1 ? 
HETATM 1468 O O   . HOH D 3 .   ? 7.982   26.932  33.489 1.000 28.722 0 398 HOH AAA O   1 ? 
HETATM 1469 O O   . HOH D 3 .   ? 13.212  1.297   20.890 1.000 15.734 0 399 HOH AAA O   1 ? 
HETATM 1470 O O   . HOH D 3 .   ? 11.837  20.639  0.536  1.000 31.304 0 400 HOH AAA O   1 ? 
HETATM 1471 O O   . HOH D 3 .   ? 2.520   3.445   1.923  1.000 23.267 0 401 HOH AAA O   1 ? 
HETATM 1472 O O   . HOH D 3 .   ? 26.394  22.469  14.557 1.000 20.779 0 402 HOH AAA O   1 ? 
HETATM 1473 O O   . HOH D 3 .   ? 13.235  2.909   25.064 1.000 29.236 0 403 HOH AAA O   1 ? 
HETATM 1474 O O   . HOH D 3 .   ? 18.286  16.974  8.810  1.000 32.484 0 404 HOH AAA O   1 ? 
HETATM 1475 O O   . HOH D 3 .   ? 7.597   28.863  31.509 1.000 20.668 0 405 HOH AAA O   1 ? 
HETATM 1476 O O   . HOH D 3 .   ? 16.691  12.970  8.514  1.000 37.819 0 406 HOH AAA O   1 ? 
HETATM 1477 O O   . HOH D 3 .   ? 20.329  13.497  24.981 1.000 26.845 0 407 HOH AAA O   1 ? 
HETATM 1478 O O   . HOH D 3 .   ? 1.576   -12.163 5.196  1.000 38.620 0 408 HOH AAA O   1 ? 
HETATM 1479 O O   . HOH D 3 .   ? -7.857  8.458   16.759 1.000 22.461 0 409 HOH AAA O   1 ? 
HETATM 1480 O O   . HOH D 3 .   ? -5.091  31.965  17.949 1.000 24.879 0 410 HOH AAA O   1 ? 
HETATM 1481 O O   . HOH D 3 .   ? 1.393   20.649  8.088  1.000 20.896 0 411 HOH AAA O   1 ? 
HETATM 1482 O O   . HOH D 3 .   ? 8.605   4.340   29.230 1.000 32.093 0 412 HOH AAA O   1 ? 
HETATM 1483 O O   . HOH D 3 .   ? 7.557   25.411  2.829  1.000 26.498 0 413 HOH AAA O   1 ? 
HETATM 1484 O O   . HOH D 3 .   ? 9.891   21.314  12.537 1.000 20.065 0 414 HOH AAA O   1 ? 
HETATM 1485 O O   . HOH D 3 .   ? 13.796  -3.597  2.333  1.000 30.888 0 415 HOH AAA O   1 ? 
HETATM 1486 O O   . HOH D 3 .   ? 14.789  12.074  21.368 1.000 16.665 0 416 HOH AAA O   1 ? 
HETATM 1487 O O   . HOH D 3 .   ? -8.209  -1.641  15.307 1.000 14.860 0 417 HOH AAA O   1 ? 
HETATM 1488 O O   . HOH D 3 .   ? -0.884  21.817  8.874  1.000 21.354 0 418 HOH AAA O   1 ? 
HETATM 1489 O O   . HOH D 3 .   ? -4.763  21.159  32.140 1.000 31.318 0 419 HOH AAA O   1 ? 
HETATM 1490 O O   . HOH D 3 .   ? 1.932   1.034   -0.119 1.000 35.633 0 420 HOH AAA O   1 ? 
HETATM 1491 O O   . HOH D 3 .   ? 6.345   22.016  28.081 1.000 19.666 0 421 HOH AAA O   1 ? 
HETATM 1492 O O   . HOH D 3 .   ? 9.230   15.225  32.452 1.000 20.127 0 422 HOH AAA O   1 ? 
HETATM 1493 O O   . HOH D 3 .   ? -6.766  8.378   4.267  1.000 26.733 0 423 HOH AAA O   1 ? 
HETATM 1494 O O   . HOH D 3 .   ? -10.645 25.640  14.976 1.000 28.418 0 424 HOH AAA O   1 ? 
HETATM 1495 O O   . HOH D 3 .   ? -6.744  19.995  7.157  1.000 49.135 0 425 HOH AAA O   1 ? 
HETATM 1496 O O   . HOH D 3 .   ? -9.124  26.329  29.558 1.000 31.557 0 426 HOH AAA O   1 ? 
HETATM 1497 O O   . HOH D 3 .   ? 5.300   16.638  31.567 1.000 39.051 0 427 HOH AAA O   1 ? 
HETATM 1498 O O   . HOH D 3 .   ? 0.048   32.530  17.309 1.000 42.954 0 428 HOH AAA O   1 ? 
HETATM 1499 O O   . HOH D 3 .   ? 23.397  21.474  7.830  1.000 30.744 0 429 HOH AAA O   1 ? 
HETATM 1500 O O   . HOH D 3 .   ? 18.504  10.479  7.466  1.000 29.024 0 430 HOH AAA O   1 ? 
HETATM 1501 O O   . HOH D 3 .   ? 8.463   31.083  33.083 1.000 20.859 0 431 HOH AAA O   1 ? 
HETATM 1502 O O   . HOH D 3 .   ? 13.263  -1.925  9.638  1.000 25.826 0 432 HOH AAA O   1 ? 
HETATM 1503 O O   . HOH D 3 .   ? -8.374  12.315  9.525  1.000 33.324 0 433 HOH AAA O   1 ? 
HETATM 1504 O O   . HOH D 3 .   ? 0.600   15.415  4.511  1.000 20.551 0 434 HOH AAA O   1 ? 
HETATM 1505 O O   . HOH D 3 .   ? -7.456  11.512  23.377 1.000 24.075 0 435 HOH AAA O   1 ? 
HETATM 1506 O O   . HOH D 3 .   ? -14.026 22.819  22.727 1.000 24.238 0 436 HOH AAA O   1 ? 
HETATM 1507 O O   . HOH D 3 .   ? -2.500  -5.229  18.241 1.000 35.204 0 437 HOH AAA O   1 ? 
HETATM 1508 O O   . HOH D 3 .   ? 15.843  17.067  6.616  1.000 26.823 0 438 HOH AAA O   1 ? 
HETATM 1509 O O   . HOH D 3 .   ? -5.130  -1.938  -0.746 1.000 35.949 0 439 HOH AAA O   1 ? 
HETATM 1510 O O   . HOH D 3 .   ? -5.600  22.352  29.867 1.000 35.893 0 440 HOH AAA O   1 ? 
HETATM 1511 O O   . HOH D 3 .   ? 13.907  21.805  13.846 1.000 16.409 0 441 HOH AAA O   1 ? 
HETATM 1512 O O   . HOH D 3 .   ? -9.531  -8.261  15.688 1.000 32.066 0 442 HOH AAA O   1 ? 
HETATM 1513 O O   . HOH D 3 .   ? -9.941  25.396  32.282 1.000 44.424 0 443 HOH AAA O   1 ? 
HETATM 1514 O O   . HOH D 3 .   ? 5.362   5.953   32.566 1.000 37.370 0 444 HOH AAA O   1 ? 
HETATM 1515 O O   . HOH D 3 .   ? 7.567   33.920  34.352 1.000 31.701 0 445 HOH AAA O   1 ? 
HETATM 1516 O O   . HOH D 3 .   ? -2.106  -5.204  9.055  1.000 31.356 0 446 HOH AAA O   1 ? 
HETATM 1517 O O   . HOH D 3 .   ? 23.536  25.570  9.666  1.000 32.628 0 447 HOH AAA O   1 ? 
HETATM 1518 O O   . HOH D 3 .   ? 19.140  10.211  26.983 1.000 43.378 0 448 HOH AAA O   1 ? 
HETATM 1519 O O   . HOH D 3 .   ? -1.566  -4.741  13.780 1.000 37.055 0 449 HOH AAA O   1 ? 
HETATM 1520 O O   . HOH D 3 .   ? 11.678  3.000   26.987 1.000 39.411 0 450 HOH AAA O   1 ? 
HETATM 1521 O O   . HOH D 3 .   ? 12.243  26.088  2.576  1.000 41.646 0 451 HOH AAA O   1 ? 
HETATM 1522 O O   . HOH D 3 .   ? 8.194   17.457  33.149 1.000 46.587 0 452 HOH AAA O   1 ? 
HETATM 1523 O O   . HOH D 3 .   ? 7.240   17.759  30.486 1.000 45.641 0 453 HOH AAA O   1 ? 
HETATM 1524 O O   . HOH D 3 .   ? -8.797  12.876  13.220 1.000 38.008 0 454 HOH AAA O   1 ? 
HETATM 1525 O O   . HOH D 3 .   ? 17.631  14.876  10.154 1.000 32.518 0 455 HOH AAA O   1 ? 
HETATM 1526 O O   . HOH D 3 .   ? 10.085  24.445  2.503  1.000 25.633 0 456 HOH AAA O   1 ? 
HETATM 1527 O O   . HOH D 3 .   ? -2.599  -0.213  23.551 1.000 32.387 0 457 HOH AAA O   1 ? 
HETATM 1528 O O   . HOH D 3 .   ? 2.180   34.598  29.509 1.000 40.325 0 458 HOH AAA O   1 ? 
HETATM 1529 O O   . HOH D 3 .   ? -7.387  -0.725  8.538  1.000 41.611 0 459 HOH AAA O   1 ? 
HETATM 1530 O O   . HOH D 3 .   ? 17.982  10.604  12.359 1.000 25.413 0 460 HOH AAA O   1 ? 
HETATM 1531 O O   . HOH D 3 .   ? 18.738  13.249  12.173 1.000 27.099 0 461 HOH AAA O   1 ? 
HETATM 1532 O O   . HOH D 3 .   ? 7.267   13.942  33.845 1.000 32.033 0 462 HOH AAA O   1 ? 
HETATM 1533 O O   . HOH D 3 .   ? 0.460   34.072  35.620 1.000 34.034 0 463 HOH AAA O   1 ? 
HETATM 1534 O O   . HOH D 3 .   ? -7.159  10.302  6.763  1.000 37.336 0 464 HOH AAA O   1 ? 
HETATM 1535 O O   . HOH D 3 .   ? -7.430  0.913   6.294  1.000 40.486 0 465 HOH AAA O   1 ? 
HETATM 1536 O O   . HOH D 3 .   ? 10.171  10.788  34.195 1.000 36.199 0 466 HOH AAA O   1 ? 
HETATM 1537 O O   . HOH D 3 .   ? 11.354  22.216  14.718 1.000 14.545 0 467 HOH AAA O   1 ? 
HETATM 1538 O O   . HOH D 3 .   ? -2.344  -7.109  14.267 1.000 39.455 0 468 HOH AAA O   1 ? 
HETATM 1539 O O   . HOH D 3 .   ? -3.622  32.363  33.298 1.000 40.486 0 469 HOH AAA O   1 ? 
# 
