data_9GLJ
# 
_entry.id   9GLJ 
# 
_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   9GLJ         pdb_00009glj 10.2210/pdb9glj/pdb 
WWPDB D_1292141251 ?            ?                   
# 
_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                        9GLJ 
_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' 19610.518 1   ? T106A ? 
'Threonine at 106th position is mutated to Alanine' 
2 water   nat water                                          18.015    207 ? ?     ? ? 
# 
_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
EFDIEFDIPITYPTTAPEIAVPELDGKAAKMYRGGKICLTDHFKPLWARNVPKFGLAHLMALGLGPWLAVEIPDLIQKGV
IHHKEKCNQ
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GSMADEATRRVVSEIPVLKTNAGPRDRELWVQRLKEEYQSLIRYVENNKNADNDWFRLESNKEGTRWFGKCWYIHDLLKY
EFDIEFDIPITYPTTAPEIAVPELDGKAAKMYRGGKICLTDHFKPLWARNVPKFGLAHLMALGLGPWLAVEIPDLIQKGV
IHHKEKCNQ
;
_entity_poly.pdbx_strand_id                 AAA 
_entity_poly.pdbx_target_identifier         ? 
# 
_pdbx_entity_nonpoly.entity_id   2 
_pdbx_entity_nonpoly.name        water 
_pdbx_entity_nonpoly.comp_id     HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   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 ALA 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  
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 ALA 108 106 106 ALA ALA 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 ?   ?   ?   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 HOH 1   201 10  HOH HOH AAA . 
B 2 HOH 2   202 140 HOH HOH AAA . 
B 2 HOH 3   203 87  HOH HOH AAA . 
B 2 HOH 4   204 161 HOH HOH AAA . 
B 2 HOH 5   205 153 HOH HOH AAA . 
B 2 HOH 6   206 15  HOH HOH AAA . 
B 2 HOH 7   207 97  HOH HOH AAA . 
B 2 HOH 8   208 120 HOH HOH AAA . 
B 2 HOH 9   209 138 HOH HOH AAA . 
B 2 HOH 10  210 30  HOH HOH AAA . 
B 2 HOH 11  211 182 HOH HOH AAA . 
B 2 HOH 12  212 197 HOH HOH AAA . 
B 2 HOH 13  213 114 HOH HOH AAA . 
B 2 HOH 14  214 162 HOH HOH AAA . 
B 2 HOH 15  215 145 HOH HOH AAA . 
B 2 HOH 16  216 121 HOH HOH AAA . 
B 2 HOH 17  217 204 HOH HOH AAA . 
B 2 HOH 18  218 126 HOH HOH AAA . 
B 2 HOH 19  219 184 HOH HOH AAA . 
B 2 HOH 20  220 191 HOH HOH AAA . 
B 2 HOH 21  221 174 HOH HOH AAA . 
B 2 HOH 22  222 91  HOH HOH AAA . 
B 2 HOH 23  223 147 HOH HOH AAA . 
B 2 HOH 24  224 42  HOH HOH AAA . 
B 2 HOH 25  225 175 HOH HOH AAA . 
B 2 HOH 26  226 186 HOH HOH AAA . 
B 2 HOH 27  227 136 HOH HOH AAA . 
B 2 HOH 28  228 90  HOH HOH AAA . 
B 2 HOH 29  229 45  HOH HOH AAA . 
B 2 HOH 30  230 29  HOH HOH AAA . 
B 2 HOH 31  231 64  HOH HOH AAA . 
B 2 HOH 32  232 48  HOH HOH AAA . 
B 2 HOH 33  233 149 HOH HOH AAA . 
B 2 HOH 34  234 100 HOH HOH AAA . 
B 2 HOH 35  235 221 HOH HOH AAA . 
B 2 HOH 36  236 23  HOH HOH AAA . 
B 2 HOH 37  237 8   HOH HOH AAA . 
B 2 HOH 38  238 22  HOH HOH AAA . 
B 2 HOH 39  239 95  HOH HOH AAA . 
B 2 HOH 40  240 43  HOH HOH AAA . 
B 2 HOH 41  241 194 HOH HOH AAA . 
B 2 HOH 42  242 139 HOH HOH AAA . 
B 2 HOH 43  243 47  HOH HOH AAA . 
B 2 HOH 44  244 72  HOH HOH AAA . 
B 2 HOH 45  245 6   HOH HOH AAA . 
B 2 HOH 46  246 49  HOH HOH AAA . 
B 2 HOH 47  247 94  HOH HOH AAA . 
B 2 HOH 48  248 54  HOH HOH AAA . 
B 2 HOH 49  249 18  HOH HOH AAA . 
B 2 HOH 50  250 55  HOH HOH AAA . 
B 2 HOH 51  251 210 HOH HOH AAA . 
B 2 HOH 52  252 160 HOH HOH AAA . 
B 2 HOH 53  253 5   HOH HOH AAA . 
B 2 HOH 54  254 63  HOH HOH AAA . 
B 2 HOH 55  255 41  HOH HOH AAA . 
B 2 HOH 56  256 106 HOH HOH AAA . 
B 2 HOH 57  257 151 HOH HOH AAA . 
B 2 HOH 58  258 60  HOH HOH AAA . 
B 2 HOH 59  259 11  HOH HOH AAA . 
B 2 HOH 60  260 98  HOH HOH AAA . 
B 2 HOH 61  261 77  HOH HOH AAA . 
B 2 HOH 62  262 1   HOH HOH AAA . 
B 2 HOH 63  263 129 HOH HOH AAA . 
B 2 HOH 64  264 107 HOH HOH AAA . 
B 2 HOH 65  265 84  HOH HOH AAA . 
B 2 HOH 66  266 102 HOH HOH AAA . 
B 2 HOH 67  267 103 HOH HOH AAA . 
B 2 HOH 68  268 25  HOH HOH AAA . 
B 2 HOH 69  269 93  HOH HOH AAA . 
B 2 HOH 70  270 13  HOH HOH AAA . 
B 2 HOH 71  271 66  HOH HOH AAA . 
B 2 HOH 72  272 75  HOH HOH AAA . 
B 2 HOH 73  273 101 HOH HOH AAA . 
B 2 HOH 74  274 56  HOH HOH AAA . 
B 2 HOH 75  275 7   HOH HOH AAA . 
B 2 HOH 76  276 31  HOH HOH AAA . 
B 2 HOH 77  277 80  HOH HOH AAA . 
B 2 HOH 78  278 21  HOH HOH AAA . 
B 2 HOH 79  279 104 HOH HOH AAA . 
B 2 HOH 80  280 35  HOH HOH AAA . 
B 2 HOH 81  281 9   HOH HOH AAA . 
B 2 HOH 82  282 32  HOH HOH AAA . 
B 2 HOH 83  283 50  HOH HOH AAA . 
B 2 HOH 84  284 14  HOH HOH AAA . 
B 2 HOH 85  285 187 HOH HOH AAA . 
B 2 HOH 86  286 38  HOH HOH AAA . 
B 2 HOH 87  287 16  HOH HOH AAA . 
B 2 HOH 88  288 125 HOH HOH AAA . 
B 2 HOH 89  289 61  HOH HOH AAA . 
B 2 HOH 90  290 119 HOH HOH AAA . 
B 2 HOH 91  291 122 HOH HOH AAA . 
B 2 HOH 92  292 117 HOH HOH AAA . 
B 2 HOH 93  293 26  HOH HOH AAA . 
B 2 HOH 94  294 12  HOH HOH AAA . 
B 2 HOH 95  295 2   HOH HOH AAA . 
B 2 HOH 96  296 135 HOH HOH AAA . 
B 2 HOH 97  297 81  HOH HOH AAA . 
B 2 HOH 98  298 59  HOH HOH AAA . 
B 2 HOH 99  299 53  HOH HOH AAA . 
B 2 HOH 100 300 52  HOH HOH AAA . 
B 2 HOH 101 301 228 HOH HOH AAA . 
B 2 HOH 102 302 88  HOH HOH AAA . 
B 2 HOH 103 303 92  HOH HOH AAA . 
B 2 HOH 104 304 99  HOH HOH AAA . 
B 2 HOH 105 305 109 HOH HOH AAA . 
B 2 HOH 106 306 137 HOH HOH AAA . 
B 2 HOH 107 307 4   HOH HOH AAA . 
B 2 HOH 108 308 57  HOH HOH AAA . 
B 2 HOH 109 309 192 HOH HOH AAA . 
B 2 HOH 110 310 172 HOH HOH AAA . 
B 2 HOH 111 311 79  HOH HOH AAA . 
B 2 HOH 112 312 78  HOH HOH AAA . 
B 2 HOH 113 313 36  HOH HOH AAA . 
B 2 HOH 114 314 143 HOH HOH AAA . 
B 2 HOH 115 315 24  HOH HOH AAA . 
B 2 HOH 116 316 134 HOH HOH AAA . 
B 2 HOH 117 317 83  HOH HOH AAA . 
B 2 HOH 118 318 3   HOH HOH AAA . 
B 2 HOH 119 319 40  HOH HOH AAA . 
B 2 HOH 120 320 46  HOH HOH AAA . 
B 2 HOH 121 321 62  HOH HOH AAA . 
B 2 HOH 122 322 27  HOH HOH AAA . 
B 2 HOH 123 323 128 HOH HOH AAA . 
B 2 HOH 124 324 70  HOH HOH AAA . 
B 2 HOH 125 325 113 HOH HOH AAA . 
B 2 HOH 126 326 82  HOH HOH AAA . 
B 2 HOH 127 327 146 HOH HOH AAA . 
B 2 HOH 128 328 141 HOH HOH AAA . 
B 2 HOH 129 329 105 HOH HOH AAA . 
B 2 HOH 130 330 127 HOH HOH AAA . 
B 2 HOH 131 331 44  HOH HOH AAA . 
B 2 HOH 132 332 124 HOH HOH AAA . 
B 2 HOH 133 333 67  HOH HOH AAA . 
B 2 HOH 134 334 33  HOH HOH AAA . 
B 2 HOH 135 335 170 HOH HOH AAA . 
B 2 HOH 136 336 71  HOH HOH AAA . 
B 2 HOH 137 337 39  HOH HOH AAA . 
B 2 HOH 138 338 111 HOH HOH AAA . 
B 2 HOH 139 339 28  HOH HOH AAA . 
B 2 HOH 140 340 166 HOH HOH AAA . 
B 2 HOH 141 341 116 HOH HOH AAA . 
B 2 HOH 142 342 19  HOH HOH AAA . 
B 2 HOH 143 343 58  HOH HOH AAA . 
B 2 HOH 144 344 37  HOH HOH AAA . 
B 2 HOH 145 345 150 HOH HOH AAA . 
B 2 HOH 146 346 65  HOH HOH AAA . 
B 2 HOH 147 347 167 HOH HOH AAA . 
B 2 HOH 148 348 20  HOH HOH AAA . 
B 2 HOH 149 349 198 HOH HOH AAA . 
B 2 HOH 150 350 224 HOH HOH AAA . 
B 2 HOH 151 351 69  HOH HOH AAA . 
B 2 HOH 152 352 193 HOH HOH AAA . 
B 2 HOH 153 353 68  HOH HOH AAA . 
B 2 HOH 154 354 73  HOH HOH AAA . 
B 2 HOH 155 355 34  HOH HOH AAA . 
B 2 HOH 156 356 96  HOH HOH AAA . 
B 2 HOH 157 357 156 HOH HOH AAA . 
B 2 HOH 158 358 17  HOH HOH AAA . 
B 2 HOH 159 359 142 HOH HOH AAA . 
B 2 HOH 160 360 86  HOH HOH AAA . 
B 2 HOH 161 361 130 HOH HOH AAA . 
B 2 HOH 162 362 213 HOH HOH AAA . 
B 2 HOH 163 363 185 HOH HOH AAA . 
B 2 HOH 164 364 133 HOH HOH AAA . 
B 2 HOH 165 365 218 HOH HOH AAA . 
B 2 HOH 166 366 223 HOH HOH AAA . 
B 2 HOH 167 367 219 HOH HOH AAA . 
B 2 HOH 168 368 108 HOH HOH AAA . 
B 2 HOH 169 369 110 HOH HOH AAA . 
B 2 HOH 170 370 216 HOH HOH AAA . 
B 2 HOH 171 371 203 HOH HOH AAA . 
B 2 HOH 172 372 215 HOH HOH AAA . 
B 2 HOH 173 373 225 HOH HOH AAA . 
B 2 HOH 174 374 169 HOH HOH AAA . 
B 2 HOH 175 375 164 HOH HOH AAA . 
B 2 HOH 176 376 181 HOH HOH AAA . 
B 2 HOH 177 377 155 HOH HOH AAA . 
B 2 HOH 178 378 214 HOH HOH AAA . 
B 2 HOH 179 379 158 HOH HOH AAA . 
B 2 HOH 180 380 157 HOH HOH AAA . 
B 2 HOH 181 381 123 HOH HOH AAA . 
B 2 HOH 182 382 165 HOH HOH AAA . 
B 2 HOH 183 383 85  HOH HOH AAA . 
B 2 HOH 184 384 74  HOH HOH AAA . 
B 2 HOH 185 385 112 HOH HOH AAA . 
B 2 HOH 186 386 212 HOH HOH AAA . 
B 2 HOH 187 387 202 HOH HOH AAA . 
B 2 HOH 188 388 152 HOH HOH AAA . 
B 2 HOH 189 389 51  HOH HOH AAA . 
B 2 HOH 190 390 89  HOH HOH AAA . 
B 2 HOH 191 391 115 HOH HOH AAA . 
B 2 HOH 192 392 206 HOH HOH AAA . 
B 2 HOH 193 393 173 HOH HOH AAA . 
B 2 HOH 194 394 178 HOH HOH AAA . 
B 2 HOH 195 395 188 HOH HOH AAA . 
B 2 HOH 196 396 132 HOH HOH AAA . 
B 2 HOH 197 397 131 HOH HOH AAA . 
B 2 HOH 198 398 217 HOH HOH AAA . 
B 2 HOH 199 399 195 HOH HOH AAA . 
B 2 HOH 200 400 179 HOH HOH AAA . 
B 2 HOH 201 401 163 HOH HOH AAA . 
B 2 HOH 202 402 76  HOH HOH AAA . 
B 2 HOH 203 403 220 HOH HOH AAA . 
B 2 HOH 204 404 159 HOH HOH AAA . 
B 2 HOH 205 405 227 HOH HOH AAA . 
B 2 HOH 206 406 226 HOH HOH AAA . 
B 2 HOH 207 407 144 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 
5  1 Y 1 AAA LYS 77  ? NZ  ? A LYS 79  NZ  
6  1 Y 1 AAA LYS 122 ? NZ  ? A LYS 124 NZ  
7  1 Y 1 AAA LYS 162 ? CG  ? A LYS 164 CG  
8  1 Y 1 AAA LYS 162 ? CD  ? A LYS 164 CD  
9  1 Y 1 AAA LYS 162 ? CE  ? A LYS 164 CE  
10 1 Y 1 AAA LYS 162 ? NZ  ? A LYS 164 NZ  
11 1 Y 1 AAA GLU 163 ? CG  ? A GLU 165 CG  
12 1 Y 1 AAA GLU 163 ? CD  ? A GLU 165 CD  
13 1 Y 1 AAA GLU 163 ? OE1 ? A GLU 165 OE1 
14 1 Y 1 AAA GLU 163 ? OE2 ? A GLU 165 OE2 
15 1 Y 1 AAA LYS 164 ? CG  ? A LYS 166 CG  
16 1 Y 1 AAA LYS 164 ? CD  ? A LYS 166 CD  
17 1 Y 1 AAA LYS 164 ? CE  ? A LYS 166 CE  
18 1 Y 1 AAA LYS 164 ? NZ  ? A LYS 166 NZ  
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? 'data processing' ? ? ? ? ? ? ? ? ? ? ? autoPROC ? ? ? .        1 
? 'data reduction'  ? ? ? ? ? ? ? ? ? ? ? autoPROC ? ? ? .        2 
? 'data scaling'    ? ? ? ? ? ? ? ? ? ? ? autoPROC ? ? ? .        3 
? refinement        ? ? ? ? ? ? ? ? ? ? ? REFMAC   ? ? ? 5.8.0267 4 
# 
_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                     9GLJ 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     47.222 
_cell.length_a_esd                 ? 
_cell.length_b                     47.222 
_cell.length_b_esd                 ? 
_cell.length_c                     142.039 
_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                         9GLJ 
_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                   9GLJ 
_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             2.02 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          39.08 
_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              6.5 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '0.1M NaCl, 0.1M Bis-Tris pH 6.5, 1.5M Ammonium sulfate.' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     298 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER2 XE CdTe 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         2022-11-10 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.87313 
_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                        'ESRF BEAMLINE ID23-1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.87313 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ID23-1 
_diffrn_source.pdbx_synchrotron_site       ESRF 
# 
_reflns.B_iso_Wilson_estimate                          15.33 
_reflns.entry_id                                       9GLJ 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.213 
_reflns.d_resolution_low                               33.43 
_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                                     49774 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.99 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                2.0 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          15.16 
_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                                0.022 
_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                                   1 
_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                                    1.213 
_reflns_shell.d_res_low                                     1.256 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           2.32 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             4863 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               2.0 
_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                               0.3448 
_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                                  0.836 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          100 
_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]                            -0.061 
_refine.aniso_B[1][2]                            0.000 
_refine.aniso_B[1][3]                            0.000 
_refine.aniso_B[2][2]                            -0.061 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            0.123 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               17.434 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.972 
_refine.correlation_coeff_Fo_to_Fc_free          0.963 
_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                                 9GLJ 
_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                            1.213 
_refine.ls_d_res_low                             33.43 
_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                     49774 
_refine.ls_number_reflns_R_free                  2494 
_refine.ls_number_reflns_R_work                  47280 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.998 
_refine.ls_percent_reflns_R_free                 5.011 
_refine.ls_R_factor_all                          0.178 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.1989 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1768 
_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                       0.043 
_refine.pdbx_overall_ESU_R_Free                  0.045 
_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                             0.677 
_refine.overall_SU_ML                            0.030 
_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        1337 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         0 
_refine_hist.number_atoms_solvent             207 
_refine_hist.number_atoms_total               1544 
_refine_hist.d_res_high                       1.213 
_refine_hist.d_res_low                        33.43 
# 
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' ? 0.016  0.013  1434 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.015  1336 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.916  1.646  1956 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 1.520  1.583  3080 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 6.323  5.000  176  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 31.122 21.728 81   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 12.004 15.000 241  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 13.406 15.000 11   ? r_dihedral_angle_4_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.117  0.200  179  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.011  0.020  1643 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  343  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.232  0.200  271  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.186  0.200  1160 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.178  0.200  687  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.086  0.200  571  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.131  0.200  99   ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.015  0.200  1    ? r_symmetry_xyhbond_nbd_other   ? ? 
'X-RAY DIFFRACTION' ? 0.313  0.200  9    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.260  0.200  43   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.128  0.200  28   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 1.435  1.583  689  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.426  1.575  688  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.124  2.365  870  ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 2.124  2.374  871  ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 2.798  1.845  745  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.797  1.852  746  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 4.042  2.660  1086 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 4.041  2.660  1086 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 4.992  19.370 1668 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 4.811  18.811 1635 ? 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' 1.213 1.244 . . 171 3437 100.0000 . . . . 0.252 . . . . . . . . . . . 0.255 
'X-RAY DIFFRACTION' 1.244 1.278 . . 196 3311 100.0000 . . . . 0.215 . . . . . . . . . . . 0.215 
'X-RAY DIFFRACTION' 1.278 1.315 . . 160 3256 100.0000 . . . . 0.221 . . . . . . . . . . . 0.223 
'X-RAY DIFFRACTION' 1.315 1.356 . . 165 3167 100.0000 . . . . 0.208 . . . . . . . . . . . 0.244 
'X-RAY DIFFRACTION' 1.356 1.400 . . 144 3084 100.0000 . . . . 0.197 . . . . . . . . . . . 0.212 
'X-RAY DIFFRACTION' 1.400 1.449 . . 171 2963 100.0000 . . . . 0.183 . . . . . . . . . . . 0.233 
'X-RAY DIFFRACTION' 1.449 1.504 . . 136 2885 100.0000 . . . . 0.174 . . . . . . . . . . . 0.176 
'X-RAY DIFFRACTION' 1.504 1.565 . . 149 2783 100.0000 . . . . 0.165 . . . . . . . . . . . 0.198 
'X-RAY DIFFRACTION' 1.565 1.635 . . 140 2670 100.0000 . . . . 0.159 . . . . . . . . . . . 0.189 
'X-RAY DIFFRACTION' 1.635 1.715 . . 141 2541 100.0000 . . . . 0.165 . . . . . . . . . . . 0.234 
'X-RAY DIFFRACTION' 1.715 1.807 . . 118 2460 100.0000 . . . . 0.168 . . . . . . . . . . . 0.189 
'X-RAY DIFFRACTION' 1.807 1.917 . . 126 2307 100.0000 . . . . 0.167 . . . . . . . . . . . 0.197 
'X-RAY DIFFRACTION' 1.917 2.049 . . 130 2175 100.0000 . . . . 0.179 . . . . . . . . . . . 0.196 
'X-RAY DIFFRACTION' 2.049 2.212 . . 105 2049 100.0000 . . . . 0.161 . . . . . . . . . . . 0.173 
'X-RAY DIFFRACTION' 2.212 2.423 . . 101 1882 100.0000 . . . . 0.166 . . . . . . . . . . . 0.199 
'X-RAY DIFFRACTION' 2.423 2.708 . . 88  1742 100.0000 . . . . 0.174 . . . . . . . . . . . 0.194 
'X-RAY DIFFRACTION' 2.708 3.125 . . 95  1525 100.0000 . . . . 0.177 . . . . . . . . . . . 0.202 
'X-RAY DIFFRACTION' 3.125 3.823 . . 74  1322 100.0000 . . . . 0.166 . . . . . . . . . . . 0.166 
'X-RAY DIFFRACTION' 3.823 5.387 . . 47  1069 100.0000 . . . . 0.162 . . . . . . . . . . . 0.198 
'X-RAY DIFFRACTION' 5.387 33.43 . . 37  652  99.8551  . . . . 0.230 . . . . . . . . . . . 0.248 
# 
_struct.entry_id                     9GLJ 
_struct.title                        'Crystal Structure of UFC1 T106A' 
_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        9GLJ 
_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 ? 
# 
_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              9GLJ 
_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 9GLJ GLY AAA 1   ? UNP Q9Y3C8 ?   ?   'expression tag'      -1  1 
1 9GLJ SER AAA 2   ? UNP Q9Y3C8 ?   ?   'expression tag'      0   2 
1 9GLJ ALA AAA 108 ? UNP Q9Y3C8 THR 106 'engineered mutation' 106 3 
1 9GLJ 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 
# 
_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 ? VAL A 131 ? HIS AAA 120 VAL AAA 129 1 ? 10 
HELX_P HELX_P5 AA5 GLY A 135 ? GLY A 143 ? GLY AAA 133 GLY AAA 141 1 ? 9  
HELX_P HELX_P6 AA6 GLY A 143 ? LYS A 158 ? GLY AAA 141 LYS AAA 156 1 ? 16 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
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 5.68  
2 VAL 131 A . ? VAL 129 AAA PRO 132 A ? PRO 130 AAA 1 -0.75 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   3 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 PHE A 56 ? SER A 60 ? PHE AAA 54 SER AAA 58 
AA1 2 ARG A 66 ? HIS A 75 ? ARG AAA 64 HIS AAA 73 
AA1 3 LEU A 78 ? ASP A 87 ? LEU AAA 76 ASP AAA 85 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N GLU A 59 ? N GLU AAA 57 O PHE A 68 ? O PHE AAA 66 
AA1 2 3 N TRP A 67 ? N TRP AAA 65 O PHE A 86 ? O PHE AAA 84 
# 
_pdbx_entry_details.entry_id                   9GLJ 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     ? 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             NE 
_pdbx_validate_rmsd_angle.auth_asym_id_1             AAA 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_1              31 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CZ 
_pdbx_validate_rmsd_angle.auth_asym_id_2             AAA 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_2              31 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             NH2 
_pdbx_validate_rmsd_angle.auth_asym_id_3             AAA 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_3              31 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                117.29 
_pdbx_validate_rmsd_angle.angle_target_value         120.30 
_pdbx_validate_rmsd_angle.angle_deviation            -3.01 
_pdbx_validate_rmsd_angle.angle_standard_deviation   0.50 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 LYS AAA 17 ? ? -135.49 -44.17  
2 1 ARG AAA 25 ? ? 57.71   -125.77 
3 1 LEU AAA 75 ? ? 76.38   -10.97  
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 AAA HOH 296 ? B HOH . 
2 1 AAA HOH 316 ? B HOH . 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 AAA GLY -1  ? A GLY 1   
2 1 Y 1 AAA CYS 165 ? A CYS 167 
3 1 Y 1 AAA ASN 166 ? A ASN 168 
4 1 Y 1 AAA GLN 167 ? A GLN 169 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
GLN N    N N N 88  
GLN CA   C N S 89  
GLN C    C N N 90  
GLN O    O N N 91  
GLN CB   C N N 92  
GLN CG   C N N 93  
GLN CD   C N N 94  
GLN OE1  O N N 95  
GLN NE2  N N N 96  
GLN OXT  O N N 97  
GLN H    H N N 98  
GLN H2   H N N 99  
GLN HA   H N N 100 
GLN HB2  H N N 101 
GLN HB3  H N N 102 
GLN HG2  H N N 103 
GLN HG3  H N N 104 
GLN HE21 H N N 105 
GLN HE22 H N N 106 
GLN HXT  H N N 107 
GLU N    N N N 108 
GLU CA   C N S 109 
GLU C    C N N 110 
GLU O    O N N 111 
GLU CB   C N N 112 
GLU CG   C N N 113 
GLU CD   C N N 114 
GLU OE1  O N N 115 
GLU OE2  O N N 116 
GLU OXT  O N N 117 
GLU H    H N N 118 
GLU H2   H N N 119 
GLU HA   H N N 120 
GLU HB2  H N N 121 
GLU HB3  H N N 122 
GLU HG2  H N N 123 
GLU HG3  H N N 124 
GLU HE2  H N N 125 
GLU HXT  H N N 126 
GLY N    N N N 127 
GLY CA   C N N 128 
GLY C    C N N 129 
GLY O    O N N 130 
GLY OXT  O N N 131 
GLY H    H N N 132 
GLY H2   H N N 133 
GLY HA2  H N N 134 
GLY HA3  H N N 135 
GLY HXT  H N N 136 
HIS N    N N N 137 
HIS CA   C N S 138 
HIS C    C N N 139 
HIS O    O N N 140 
HIS CB   C N N 141 
HIS CG   C Y N 142 
HIS ND1  N Y N 143 
HIS CD2  C Y N 144 
HIS CE1  C Y N 145 
HIS NE2  N Y N 146 
HIS OXT  O N N 147 
HIS H    H N N 148 
HIS H2   H N N 149 
HIS HA   H N N 150 
HIS HB2  H N N 151 
HIS HB3  H N N 152 
HIS HD1  H N N 153 
HIS HD2  H N N 154 
HIS HE1  H N N 155 
HIS HE2  H N N 156 
HIS HXT  H N N 157 
HOH O    O N N 158 
HOH H1   H N N 159 
HOH H2   H N N 160 
ILE N    N N N 161 
ILE CA   C N S 162 
ILE C    C N N 163 
ILE O    O N N 164 
ILE CB   C N S 165 
ILE CG1  C N N 166 
ILE CG2  C N N 167 
ILE CD1  C N N 168 
ILE OXT  O N N 169 
ILE H    H N N 170 
ILE H2   H N N 171 
ILE HA   H N N 172 
ILE HB   H N N 173 
ILE HG12 H N N 174 
ILE HG13 H N N 175 
ILE HG21 H N N 176 
ILE HG22 H N N 177 
ILE HG23 H N N 178 
ILE HD11 H N N 179 
ILE HD12 H N N 180 
ILE HD13 H N N 181 
ILE HXT  H N N 182 
LEU N    N N N 183 
LEU CA   C N S 184 
LEU C    C N N 185 
LEU O    O N N 186 
LEU CB   C N N 187 
LEU CG   C N N 188 
LEU CD1  C N N 189 
LEU CD2  C N N 190 
LEU OXT  O N N 191 
LEU H    H N N 192 
LEU H2   H N N 193 
LEU HA   H N N 194 
LEU HB2  H N N 195 
LEU HB3  H N N 196 
LEU HG   H N N 197 
LEU HD11 H N N 198 
LEU HD12 H N N 199 
LEU HD13 H N N 200 
LEU HD21 H N N 201 
LEU HD22 H N N 202 
LEU HD23 H N N 203 
LEU HXT  H N N 204 
LYS N    N N N 205 
LYS CA   C N S 206 
LYS C    C N N 207 
LYS O    O N N 208 
LYS CB   C N N 209 
LYS CG   C N N 210 
LYS CD   C N N 211 
LYS CE   C N N 212 
LYS NZ   N N N 213 
LYS OXT  O N N 214 
LYS H    H N N 215 
LYS H2   H N N 216 
LYS HA   H N N 217 
LYS HB2  H N N 218 
LYS HB3  H N N 219 
LYS HG2  H N N 220 
LYS HG3  H N N 221 
LYS HD2  H N N 222 
LYS HD3  H N N 223 
LYS HE2  H N N 224 
LYS HE3  H N N 225 
LYS HZ1  H N N 226 
LYS HZ2  H N N 227 
LYS HZ3  H N N 228 
LYS HXT  H N N 229 
MET N    N N N 230 
MET CA   C N S 231 
MET C    C N N 232 
MET O    O N N 233 
MET CB   C N N 234 
MET CG   C N N 235 
MET SD   S N N 236 
MET CE   C N N 237 
MET OXT  O N N 238 
MET H    H N N 239 
MET H2   H N N 240 
MET HA   H N N 241 
MET HB2  H N N 242 
MET HB3  H N N 243 
MET HG2  H N N 244 
MET HG3  H N N 245 
MET HE1  H N N 246 
MET HE2  H N N 247 
MET HE3  H N N 248 
MET HXT  H N N 249 
PHE N    N N N 250 
PHE CA   C N S 251 
PHE C    C N N 252 
PHE O    O N N 253 
PHE CB   C N N 254 
PHE CG   C Y N 255 
PHE CD1  C Y N 256 
PHE CD2  C Y N 257 
PHE CE1  C Y N 258 
PHE CE2  C Y N 259 
PHE CZ   C Y N 260 
PHE OXT  O N N 261 
PHE H    H N N 262 
PHE H2   H N N 263 
PHE HA   H N N 264 
PHE HB2  H N N 265 
PHE HB3  H N N 266 
PHE HD1  H N N 267 
PHE HD2  H N N 268 
PHE HE1  H N N 269 
PHE HE2  H N N 270 
PHE HZ   H N N 271 
PHE HXT  H N N 272 
PRO N    N N N 273 
PRO CA   C N S 274 
PRO C    C N N 275 
PRO O    O N N 276 
PRO CB   C N N 277 
PRO CG   C N N 278 
PRO CD   C N N 279 
PRO OXT  O N N 280 
PRO H    H N N 281 
PRO HA   H N N 282 
PRO HB2  H N N 283 
PRO HB3  H N N 284 
PRO HG2  H N N 285 
PRO HG3  H N N 286 
PRO HD2  H N N 287 
PRO HD3  H N N 288 
PRO HXT  H N N 289 
SER N    N N N 290 
SER CA   C N S 291 
SER C    C N N 292 
SER O    O N N 293 
SER CB   C N N 294 
SER OG   O N N 295 
SER OXT  O N N 296 
SER H    H N N 297 
SER H2   H N N 298 
SER HA   H N N 299 
SER HB2  H N N 300 
SER HB3  H N N 301 
SER HG   H N N 302 
SER HXT  H N N 303 
THR N    N N N 304 
THR CA   C N S 305 
THR C    C N N 306 
THR O    O N N 307 
THR CB   C N R 308 
THR OG1  O N N 309 
THR CG2  C N N 310 
THR OXT  O N N 311 
THR H    H N N 312 
THR H2   H N N 313 
THR HA   H N N 314 
THR HB   H N N 315 
THR HG1  H N N 316 
THR HG21 H N N 317 
THR HG22 H N N 318 
THR HG23 H N N 319 
THR HXT  H N N 320 
TRP N    N N N 321 
TRP CA   C N S 322 
TRP C    C N N 323 
TRP O    O N N 324 
TRP CB   C N N 325 
TRP CG   C Y N 326 
TRP CD1  C Y N 327 
TRP CD2  C Y N 328 
TRP NE1  N Y N 329 
TRP CE2  C Y N 330 
TRP CE3  C Y N 331 
TRP CZ2  C Y N 332 
TRP CZ3  C Y N 333 
TRP CH2  C Y N 334 
TRP OXT  O N N 335 
TRP H    H N N 336 
TRP H2   H N N 337 
TRP HA   H N N 338 
TRP HB2  H N N 339 
TRP HB3  H N N 340 
TRP HD1  H N N 341 
TRP HE1  H N N 342 
TRP HE3  H N N 343 
TRP HZ2  H N N 344 
TRP HZ3  H N N 345 
TRP HH2  H N N 346 
TRP HXT  H N N 347 
TYR N    N N N 348 
TYR CA   C N S 349 
TYR C    C N N 350 
TYR O    O N N 351 
TYR CB   C N N 352 
TYR CG   C Y N 353 
TYR CD1  C Y N 354 
TYR CD2  C Y N 355 
TYR CE1  C Y N 356 
TYR CE2  C Y N 357 
TYR CZ   C Y N 358 
TYR OH   O N N 359 
TYR OXT  O N N 360 
TYR H    H N N 361 
TYR H2   H N N 362 
TYR HA   H N N 363 
TYR HB2  H N N 364 
TYR HB3  H N N 365 
TYR HD1  H N N 366 
TYR HD2  H N N 367 
TYR HE1  H N N 368 
TYR HE2  H N N 369 
TYR HH   H N N 370 
TYR HXT  H N N 371 
VAL N    N N N 372 
VAL CA   C N S 373 
VAL C    C N N 374 
VAL O    O N N 375 
VAL CB   C N N 376 
VAL CG1  C N N 377 
VAL CG2  C N N 378 
VAL OXT  O N N 379 
VAL H    H N N 380 
VAL H2   H N N 381 
VAL HA   H N N 382 
VAL HB   H N N 383 
VAL HG11 H N N 384 
VAL HG12 H N N 385 
VAL HG13 H N N 386 
VAL HG21 H N N 387 
VAL HG22 H N N 388 
VAL HG23 H N N 389 
VAL HXT  H N N 390 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
HIS N   CA   sing N N 129 
HIS N   H    sing N N 130 
HIS N   H2   sing N N 131 
HIS CA  C    sing N N 132 
HIS CA  CB   sing N N 133 
HIS CA  HA   sing N N 134 
HIS C   O    doub N N 135 
HIS C   OXT  sing N N 136 
HIS CB  CG   sing N N 137 
HIS CB  HB2  sing N N 138 
HIS CB  HB3  sing N N 139 
HIS CG  ND1  sing Y N 140 
HIS CG  CD2  doub Y N 141 
HIS ND1 CE1  doub Y N 142 
HIS ND1 HD1  sing N N 143 
HIS CD2 NE2  sing Y N 144 
HIS CD2 HD2  sing N N 145 
HIS CE1 NE2  sing Y N 146 
HIS CE1 HE1  sing N N 147 
HIS NE2 HE2  sing N N 148 
HIS OXT HXT  sing N N 149 
HOH O   H1   sing N N 150 
HOH O   H2   sing N N 151 
ILE N   CA   sing N N 152 
ILE N   H    sing N N 153 
ILE N   H2   sing N N 154 
ILE CA  C    sing N N 155 
ILE CA  CB   sing N N 156 
ILE CA  HA   sing N N 157 
ILE C   O    doub N N 158 
ILE C   OXT  sing N N 159 
ILE CB  CG1  sing N N 160 
ILE CB  CG2  sing N N 161 
ILE CB  HB   sing N N 162 
ILE CG1 CD1  sing N N 163 
ILE CG1 HG12 sing N N 164 
ILE CG1 HG13 sing N N 165 
ILE CG2 HG21 sing N N 166 
ILE CG2 HG22 sing N N 167 
ILE CG2 HG23 sing N N 168 
ILE CD1 HD11 sing N N 169 
ILE CD1 HD12 sing N N 170 
ILE CD1 HD13 sing N N 171 
ILE OXT HXT  sing N N 172 
LEU N   CA   sing N N 173 
LEU N   H    sing N N 174 
LEU N   H2   sing N N 175 
LEU CA  C    sing N N 176 
LEU CA  CB   sing N N 177 
LEU CA  HA   sing N N 178 
LEU C   O    doub N N 179 
LEU C   OXT  sing N N 180 
LEU CB  CG   sing N N 181 
LEU CB  HB2  sing N N 182 
LEU CB  HB3  sing N N 183 
LEU CG  CD1  sing N N 184 
LEU CG  CD2  sing N N 185 
LEU CG  HG   sing N N 186 
LEU CD1 HD11 sing N N 187 
LEU CD1 HD12 sing N N 188 
LEU CD1 HD13 sing N N 189 
LEU CD2 HD21 sing N N 190 
LEU CD2 HD22 sing N N 191 
LEU CD2 HD23 sing N N 192 
LEU OXT HXT  sing N N 193 
LYS N   CA   sing N N 194 
LYS N   H    sing N N 195 
LYS N   H2   sing N N 196 
LYS CA  C    sing N N 197 
LYS CA  CB   sing N N 198 
LYS CA  HA   sing N N 199 
LYS C   O    doub N N 200 
LYS C   OXT  sing N N 201 
LYS CB  CG   sing N N 202 
LYS CB  HB2  sing N N 203 
LYS CB  HB3  sing N N 204 
LYS CG  CD   sing N N 205 
LYS CG  HG2  sing N N 206 
LYS CG  HG3  sing N N 207 
LYS CD  CE   sing N N 208 
LYS CD  HD2  sing N N 209 
LYS CD  HD3  sing N N 210 
LYS CE  NZ   sing N N 211 
LYS CE  HE2  sing N N 212 
LYS CE  HE3  sing N N 213 
LYS NZ  HZ1  sing N N 214 
LYS NZ  HZ2  sing N N 215 
LYS NZ  HZ3  sing N N 216 
LYS OXT HXT  sing N N 217 
MET N   CA   sing N N 218 
MET N   H    sing N N 219 
MET N   H2   sing N N 220 
MET CA  C    sing N N 221 
MET CA  CB   sing N N 222 
MET CA  HA   sing N N 223 
MET C   O    doub N N 224 
MET C   OXT  sing N N 225 
MET CB  CG   sing N N 226 
MET CB  HB2  sing N N 227 
MET CB  HB3  sing N N 228 
MET CG  SD   sing N N 229 
MET CG  HG2  sing N N 230 
MET CG  HG3  sing N N 231 
MET SD  CE   sing N N 232 
MET CE  HE1  sing N N 233 
MET CE  HE2  sing N N 234 
MET CE  HE3  sing N N 235 
MET OXT HXT  sing N N 236 
PHE N   CA   sing N N 237 
PHE N   H    sing N N 238 
PHE N   H2   sing N N 239 
PHE CA  C    sing N N 240 
PHE CA  CB   sing N N 241 
PHE CA  HA   sing N N 242 
PHE C   O    doub N N 243 
PHE C   OXT  sing N N 244 
PHE CB  CG   sing N N 245 
PHE CB  HB2  sing N N 246 
PHE CB  HB3  sing N N 247 
PHE CG  CD1  doub Y N 248 
PHE CG  CD2  sing Y N 249 
PHE CD1 CE1  sing Y N 250 
PHE CD1 HD1  sing N N 251 
PHE CD2 CE2  doub Y N 252 
PHE CD2 HD2  sing N N 253 
PHE CE1 CZ   doub Y N 254 
PHE CE1 HE1  sing N N 255 
PHE CE2 CZ   sing Y N 256 
PHE CE2 HE2  sing N N 257 
PHE CZ  HZ   sing N N 258 
PHE OXT HXT  sing N N 259 
PRO N   CA   sing N N 260 
PRO N   CD   sing N N 261 
PRO N   H    sing N N 262 
PRO CA  C    sing N N 263 
PRO CA  CB   sing N N 264 
PRO CA  HA   sing N N 265 
PRO C   O    doub N N 266 
PRO C   OXT  sing N N 267 
PRO CB  CG   sing N N 268 
PRO CB  HB2  sing N N 269 
PRO CB  HB3  sing N N 270 
PRO CG  CD   sing N N 271 
PRO CG  HG2  sing N N 272 
PRO CG  HG3  sing N N 273 
PRO CD  HD2  sing N N 274 
PRO CD  HD3  sing N N 275 
PRO OXT HXT  sing N N 276 
SER N   CA   sing N N 277 
SER N   H    sing N N 278 
SER N   H2   sing N N 279 
SER CA  C    sing N N 280 
SER CA  CB   sing N N 281 
SER CA  HA   sing N N 282 
SER C   O    doub N N 283 
SER C   OXT  sing N N 284 
SER CB  OG   sing N N 285 
SER CB  HB2  sing N N 286 
SER CB  HB3  sing N N 287 
SER OG  HG   sing N N 288 
SER OXT HXT  sing N N 289 
THR N   CA   sing N N 290 
THR N   H    sing N N 291 
THR N   H2   sing N N 292 
THR CA  C    sing N N 293 
THR CA  CB   sing N N 294 
THR CA  HA   sing N N 295 
THR C   O    doub N N 296 
THR C   OXT  sing N N 297 
THR CB  OG1  sing N N 298 
THR CB  CG2  sing N N 299 
THR CB  HB   sing N N 300 
THR OG1 HG1  sing N N 301 
THR CG2 HG21 sing N N 302 
THR CG2 HG22 sing N N 303 
THR CG2 HG23 sing N N 304 
THR OXT HXT  sing N N 305 
TRP N   CA   sing N N 306 
TRP N   H    sing N N 307 
TRP N   H2   sing N N 308 
TRP CA  C    sing N N 309 
TRP CA  CB   sing N N 310 
TRP CA  HA   sing N N 311 
TRP C   O    doub N N 312 
TRP C   OXT  sing N N 313 
TRP CB  CG   sing N N 314 
TRP CB  HB2  sing N N 315 
TRP CB  HB3  sing N N 316 
TRP CG  CD1  doub Y N 317 
TRP CG  CD2  sing Y N 318 
TRP CD1 NE1  sing Y N 319 
TRP CD1 HD1  sing N N 320 
TRP CD2 CE2  doub Y N 321 
TRP CD2 CE3  sing Y N 322 
TRP NE1 CE2  sing Y N 323 
TRP NE1 HE1  sing N N 324 
TRP CE2 CZ2  sing Y N 325 
TRP CE3 CZ3  doub Y N 326 
TRP CE3 HE3  sing N N 327 
TRP CZ2 CH2  doub Y N 328 
TRP CZ2 HZ2  sing N N 329 
TRP CZ3 CH2  sing Y N 330 
TRP CZ3 HZ3  sing N N 331 
TRP CH2 HH2  sing N N 332 
TRP OXT HXT  sing N N 333 
TYR N   CA   sing N N 334 
TYR N   H    sing N N 335 
TYR N   H2   sing N N 336 
TYR CA  C    sing N N 337 
TYR CA  CB   sing N N 338 
TYR CA  HA   sing N N 339 
TYR C   O    doub N N 340 
TYR C   OXT  sing N N 341 
TYR CB  CG   sing N N 342 
TYR CB  HB2  sing N N 343 
TYR CB  HB3  sing N N 344 
TYR CG  CD1  doub Y N 345 
TYR CG  CD2  sing Y N 346 
TYR CD1 CE1  sing Y N 347 
TYR CD1 HD1  sing N N 348 
TYR CD2 CE2  doub Y N 349 
TYR CD2 HD2  sing N N 350 
TYR CE1 CZ   doub Y N 351 
TYR CE1 HE1  sing N N 352 
TYR CE2 CZ   sing Y N 353 
TYR CE2 HE2  sing N N 354 
TYR CZ  OH   sing N N 355 
TYR OH  HH   sing N N 356 
TYR OXT HXT  sing N N 357 
VAL N   CA   sing N N 358 
VAL N   H    sing N N 359 
VAL N   H2   sing N N 360 
VAL CA  C    sing N N 361 
VAL CA  CB   sing N N 362 
VAL CA  HA   sing N N 363 
VAL C   O    doub N N 364 
VAL C   OXT  sing N N 365 
VAL CB  CG1  sing N N 366 
VAL CB  CG2  sing N N 367 
VAL CB  HB   sing N N 368 
VAL CG1 HG11 sing N N 369 
VAL CG1 HG12 sing N N 370 
VAL CG1 HG13 sing N N 371 
VAL CG2 HG21 sing N N 372 
VAL CG2 HG22 sing N N 373 
VAL CG2 HG23 sing N N 374 
VAL OXT HXT  sing N N 375 
# 
_pdbx_audit_support.funding_organization   '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                    9GLJ 
_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]   0.021177 
_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]   0.021177 
_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]   0.007040 
_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 1.018   
# 
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   ? 20.749  24.853  4.899  1.000 36.461 0 0   SER AAA N   1 ? 
ATOM   2    C CA  . SER A 1 2   ? 21.833  24.473  5.825  1.000 30.082 0 0   SER AAA CA  1 ? 
ATOM   3    C C   . SER A 1 2   ? 21.385  24.719  7.278  1.000 24.241 0 0   SER AAA C   1 ? 
ATOM   4    O O   . SER A 1 2   ? 21.572  23.751  8.076  1.000 20.056 0 0   SER AAA O   1 ? 
ATOM   5    C CB  . SER A 1 2   ? 23.157  25.107  5.554  1.000 40.220 0 0   SER AAA CB  1 ? 
ATOM   6    O OG  . SER A 1 2   ? 24.193  24.185  5.781  1.000 45.285 0 0   SER AAA OG  1 ? 
ATOM   7    N N   . MET A 1 3   ? 20.826  25.889  7.641  1.000 20.180 0 1   MET AAA N   1 ? 
ATOM   8    C CA  . MET A 1 3   ? 20.264  26.105  9.009  1.000 17.068 0 1   MET AAA CA  1 ? 
ATOM   9    C C   . MET A 1 3   ? 19.109  25.118  9.212  1.000 15.018 0 1   MET AAA C   1 ? 
ATOM   10   O O   . MET A 1 3   ? 19.034  24.526  10.290 1.000 14.851 0 1   MET AAA O   1 ? 
ATOM   11   C CB  . MET A 1 3   ? 19.729  27.511  9.314  1.000 17.354 0 1   MET AAA CB  1 ? 
ATOM   12   C CG  . MET A 1 3   ? 20.820  28.524  9.597  1.000 16.564 0 1   MET AAA CG  1 ? 
ATOM   13   S SD  . MET A 1 3   ? 20.200  30.093  10.236 1.000 16.947 0 1   MET AAA SD  1 ? 
ATOM   14   C CE  . MET A 1 3   ? 19.718  29.663  11.869 1.000 18.857 0 1   MET AAA CE  1 ? 
ATOM   15   N N   . ALA A 1 4   ? 18.239  24.911  8.222  1.000 16.266 0 2   ALA AAA N   1 ? 
ATOM   16   C CA  . ALA A 1 4   ? 17.102  24.009  8.406  1.000 16.633 0 2   ALA AAA CA  1 ? 
ATOM   17   C C   . ALA A 1 4   ? 17.608  22.583  8.637  1.000 15.457 0 2   ALA AAA C   1 ? 
ATOM   18   O O   . ALA A 1 4   ? 17.069  21.918  9.494  1.000 15.075 0 2   ALA AAA O   1 ? 
ATOM   19   C CB  . ALA A 1 4   ? 16.160  24.077  7.221  1.000 17.778 0 2   ALA AAA CB  1 ? 
ATOM   20   N N   . ASP A 1 5   ? 18.595  22.132  7.859  1.000 15.515 0 3   ASP AAA N   1 ? 
ATOM   21   C CA  . ASP A 1 5   ? 19.050  20.731  7.999  1.000 16.228 0 3   ASP AAA CA  1 ? 
ATOM   22   C C   . ASP A 1 5   ? 19.606  20.517  9.397  1.000 15.284 0 3   ASP AAA C   1 ? 
ATOM   23   O O   . ASP A 1 5   ? 19.349  19.470  10.027 1.000 14.811 0 3   ASP AAA O   1 ? 
ATOM   24   C CB  . ASP A 1 5   ? 20.096  20.365  6.954  1.000 18.197 0 3   ASP AAA CB  1 ? 
ATOM   25   C CG  . ASP A 1 5   ? 19.562  20.272  5.531  1.000 22.628 0 3   ASP AAA CG  1 ? 
ATOM   26   O OD1 . ASP A 1 5   ? 18.347  20.271  5.354  1.000 22.532 0 3   ASP AAA OD1 1 ? 
ATOM   27   O OD2 . ASP A 1 5   ? 20.418  20.183  4.622  1.000 27.590 0 3   ASP AAA OD2 1 ? 
ATOM   28   N N   . GLU A 1 6   ? 20.397  21.454  9.881  1.000 14.523 0 4   GLU AAA N   1 ? 
ATOM   29   C CA  . GLU A 1 6   ? 20.994  21.338  11.218 1.000 13.552 0 4   GLU AAA CA  1 ? 
ATOM   30   C C   . GLU A 1 6   ? 19.945  21.407  12.302 1.000 12.596 0 4   GLU AAA C   1 ? 
ATOM   31   O O   . GLU A 1 6   ? 20.023  20.613  13.254 1.000 12.721 0 4   GLU AAA O   1 ? 
ATOM   32   C CB  . GLU A 1 6   ? 22.088  22.374  11.411 1.000 15.480 0 4   GLU AAA CB  1 ? 
ATOM   33   C CG  . GLU A 1 6   ? 22.796  22.247  12.739 1.000 15.654 0 4   GLU AAA CG  1 ? 
ATOM   34   C CD  . GLU A 1 6   ? 23.587  20.969  13.002 1.000 17.529 0 4   GLU AAA CD  1 ? 
ATOM   35   O OE1 . GLU A 1 6   ? 23.795  20.199  12.071 1.000 19.729 0 4   GLU AAA OE1 1 ? 
ATOM   36   O OE2 . GLU A 1 6   ? 23.993  20.724  14.135 1.000 19.618 0 4   GLU AAA OE2 1 ? 
ATOM   37   N N   . ALA A 1 7   ? 18.990  22.320  12.181 1.000 12.551 0 5   ALA AAA N   1 ? 
ATOM   38   C CA  . ALA A 1 7   ? 17.951  22.411  13.198 1.000 12.554 0 5   ALA AAA CA  1 ? 
ATOM   39   C C   . ALA A 1 7   ? 17.191  21.095  13.318 1.000 13.382 0 5   ALA AAA C   1 ? 
ATOM   40   O O   . ALA A 1 7   ? 16.841  20.635  14.381 1.000 13.988 0 5   ALA AAA O   1 ? 
ATOM   41   C CB  . ALA A 1 7   ? 17.022  23.547  12.886 1.000 12.927 0 5   ALA AAA CB  1 ? 
ATOM   42   N N   . THR A 1 8   ? 16.860  20.507  12.166 1.000 12.979 0 6   THR AAA N   1 ? 
ATOM   43   C CA  . THR A 1 8   ? 16.112  19.224  12.153 1.000 13.683 0 6   THR AAA CA  1 ? 
ATOM   44   C C   . THR A 1 8   ? 16.955  18.138  12.817 1.000 13.371 0 6   THR AAA C   1 ? 
ATOM   45   O O   . THR A 1 8   ? 16.430  17.419  13.679 1.000 12.921 0 6   THR AAA O   1 ? 
ATOM   46   C CB  . THR A 1 8   ? 15.792  18.818  10.704 1.000 13.496 0 6   THR AAA CB  1 ? 
ATOM   47   O OG1 . THR A 1 8   ? 15.033  19.875  10.110 1.000 16.764 0 6   THR AAA OG1 1 ? 
ATOM   48   C CG2 . THR A 1 8   ? 15.022  17.510  10.627 1.000 15.748 0 6   THR AAA CG2 1 ? 
ATOM   49   N N   A ARG A 1 9   ? 18.226  18.045  12.469 0.500 13.127 0 7   ARG AAA N   1 ? 
ATOM   50   N N   B ARG A 1 9   ? 18.226  18.045  12.470 0.500 13.139 0 7   ARG AAA N   1 ? 
ATOM   51   C CA  A ARG A 1 9   ? 19.103  17.010  13.071 0.500 13.583 0 7   ARG AAA CA  1 ? 
ATOM   52   C CA  B ARG A 1 9   ? 19.128  17.022  13.057 0.500 13.717 0 7   ARG AAA CA  1 ? 
ATOM   53   C C   A ARG A 1 9   ? 19.199  17.222  14.592 0.500 13.236 0 7   ARG AAA C   1 ? 
ATOM   54   C C   B ARG A 1 9   ? 19.218  17.223  14.582 0.500 13.270 0 7   ARG AAA C   1 ? 
ATOM   55   O O   A ARG A 1 9   ? 19.162  16.241  15.343 0.500 13.744 0 7   ARG AAA O   1 ? 
ATOM   56   O O   B ARG A 1 9   ? 19.170  16.239  15.330 0.500 13.787 0 7   ARG AAA O   1 ? 
ATOM   57   C CB  A ARG A 1 9   ? 20.524  17.034  12.485 0.500 15.767 0 7   ARG AAA CB  1 ? 
ATOM   58   C CB  B ARG A 1 9   ? 20.518  17.113  12.402 0.500 15.949 0 7   ARG AAA CB  1 ? 
ATOM   59   C CG  A ARG A 1 9   ? 20.641  16.547  11.047 0.500 17.610 0 7   ARG AAA CG  1 ? 
ATOM   60   C CG  B ARG A 1 9   ? 21.482  15.980  12.715 0.500 17.740 0 7   ARG AAA CG  1 ? 
ATOM   61   C CD  A ARG A 1 9   ? 22.100  16.388  10.621 0.500 17.941 0 7   ARG AAA CD  1 ? 
ATOM   62   C CD  B ARG A 1 9   ? 22.908  16.326  12.295 0.500 18.381 0 7   ARG AAA CD  1 ? 
ATOM   63   N NE  A ARG A 1 9   ? 22.755  17.675  10.530 0.500 20.312 0 7   ARG AAA NE  1 ? 
ATOM   64   N NE  B ARG A 1 9   ? 23.457  17.355  13.164 0.500 19.570 0 7   ARG AAA NE  1 ? 
ATOM   65   C CZ  A ARG A 1 9   ? 22.874  18.371  9.417  0.500 18.459 0 7   ARG AAA CZ  1 ? 
ATOM   66   C CZ  B ARG A 1 9   ? 23.863  17.159  14.405 0.500 21.502 0 7   ARG AAA CZ  1 ? 
ATOM   67   N NH1 A ARG A 1 9   ? 22.410  17.833  8.294  0.500 21.027 0 7   ARG AAA NH1 1 ? 
ATOM   68   N NH1 B ARG A 1 9   ? 23.919  15.927  14.881 0.500 23.663 0 7   ARG AAA NH1 1 ? 
ATOM   69   N NH2 A ARG A 1 9   ? 23.476  19.535  9.423  0.500 16.831 0 7   ARG AAA NH2 1 ? 
ATOM   70   N NH2 B ARG A 1 9   ? 24.274  18.175  15.138 0.500 19.453 0 7   ARG AAA NH2 1 ? 
ATOM   71   N N   . ARG A 1 10  ? 19.338  18.462  15.053 1.000 12.355 0 8   ARG AAA N   1 ? 
ATOM   72   C CA  . ARG A 1 10  ? 19.444  18.701  16.506 1.000 12.907 0 8   ARG AAA CA  1 ? 
ATOM   73   C C   . ARG A 1 10  ? 18.219  18.147  17.194 1.000 14.033 0 8   ARG AAA C   1 ? 
ATOM   74   O O   . ARG A 1 10  ? 18.326  17.715  18.360 1.000 16.477 0 8   ARG AAA O   1 ? 
ATOM   75   C CB  . ARG A 1 10  ? 19.637  20.200  16.746 1.000 12.987 0 8   ARG AAA CB  1 ? 
ATOM   76   C CG  . ARG A 1 10  ? 21.015  20.727  16.324 1.000 13.076 0 8   ARG AAA CG  1 ? 
ATOM   77   C CD  . ARG A 1 10  ? 22.045  20.466  17.371 1.000 13.828 0 8   ARG AAA CD  1 ? 
ATOM   78   N NE  . ARG A 1 10  ? 23.339  20.977  16.899 1.000 14.731 0 8   ARG AAA NE  1 ? 
ATOM   79   C CZ  . ARG A 1 10  ? 24.428  21.161  17.639 1.000 14.339 0 8   ARG AAA CZ  1 ? 
ATOM   80   N NH1 . ARG A 1 10  ? 24.387  20.810  18.900 1.000 15.852 0 8   ARG AAA NH1 1 ? 
ATOM   81   N NH2 . ARG A 1 10  ? 25.516  21.665  17.106 1.000 15.439 0 8   ARG AAA NH2 1 ? 
ATOM   82   N N   . VAL A 1 11  ? 17.042  18.272  16.597 1.000 13.344 0 9   VAL AAA N   1 ? 
ATOM   83   C CA  . VAL A 1 11  ? 15.816  17.768  17.231 1.000 14.443 0 9   VAL AAA CA  1 ? 
ATOM   84   C C   . VAL A 1 11  ? 15.720  16.255  17.128 1.000 14.963 0 9   VAL AAA C   1 ? 
ATOM   85   O O   . VAL A 1 11  ? 15.331  15.617  18.156 1.000 15.742 0 9   VAL AAA O   1 ? 
ATOM   86   C CB  . VAL A 1 11  ? 14.572  18.427  16.635 1.000 16.225 0 9   VAL AAA CB  1 ? 
ATOM   87   C CG1 . VAL A 1 11  ? 13.292  17.825  17.237 1.000 16.908 0 9   VAL AAA CG1 1 ? 
ATOM   88   C CG2 . VAL A 1 11  ? 14.627  19.906  16.862 1.000 16.797 0 9   VAL AAA CG2 1 ? 
ATOM   89   N N   . VAL A 1 12  ? 16.017  15.632  16.008 1.000 13.664 0 10  VAL AAA N   1 ? 
ATOM   90   C CA  . VAL A 1 12  ? 15.601  14.215  15.818 1.000 15.675 0 10  VAL AAA CA  1 ? 
ATOM   91   C C   . VAL A 1 12  ? 16.748  13.212  15.783 1.000 14.064 0 10  VAL AAA C   1 ? 
ATOM   92   O O   . VAL A 1 12  ? 16.467  12.000  15.593 1.000 15.551 0 10  VAL AAA O   1 ? 
ATOM   93   C CB  . VAL A 1 12  ? 14.665  14.040  14.613 1.000 16.368 0 10  VAL AAA CB  1 ? 
ATOM   94   C CG1 . VAL A 1 12  ? 13.468  14.982  14.672 1.000 18.366 0 10  VAL AAA CG1 1 ? 
ATOM   95   C CG2 . VAL A 1 12  ? 15.416  14.190  13.336 1.000 17.075 0 10  VAL AAA CG2 1 ? 
ATOM   96   N N   . SER A 1 13  ? 18.002  13.603  15.939 1.000 14.692 0 11  SER AAA N   1 ? 
ATOM   97   C CA  . SER A 1 13  ? 19.118  12.653  15.682 1.000 15.676 0 11  SER AAA CA  1 ? 
ATOM   98   C C   . SER A 1 13  ? 19.129  11.462  16.644 1.000 14.704 0 11  SER AAA C   1 ? 
ATOM   99   O O   . SER A 1 13  ? 19.791  10.481  16.295 1.000 17.100 0 11  SER AAA O   1 ? 
ATOM   100  C CB  . SER A 1 13  ? 20.464  13.396  15.744 1.000 16.901 0 11  SER AAA CB  1 ? 
ATOM   101  O OG  . SER A 1 13  ? 20.780  13.798  17.033 1.000 19.322 0 11  SER AAA OG  1 ? 
ATOM   102  N N   . GLU A 1 14  ? 18.508  11.518  17.810 1.000 14.017 0 12  GLU AAA N   1 ? 
ATOM   103  C CA  . GLU A 1 14  ? 18.419  10.359  18.742 1.000 14.527 0 12  GLU AAA CA  1 ? 
ATOM   104  C C   . GLU A 1 14  ? 17.101  9.575   18.632 1.000 14.437 0 12  GLU AAA C   1 ? 
ATOM   105  O O   . GLU A 1 14  ? 16.888  8.640   19.424 1.000 14.518 0 12  GLU AAA O   1 ? 
ATOM   106  C CB  . GLU A 1 14  ? 18.661  10.763  20.203 1.000 17.282 0 12  GLU AAA CB  1 ? 
ATOM   107  C CG  . GLU A 1 14  ? 20.062  11.369  20.399 1.000 21.520 0 12  GLU AAA CG  1 ? 
ATOM   108  C CD  . GLU A 1 14  ? 20.416  11.639  21.851 1.000 28.131 0 12  GLU AAA CD  1 ? 
ATOM   109  O OE1 . GLU A 1 14  ? 20.008  12.718  22.343 1.000 27.721 0 12  GLU AAA OE1 1 ? 
ATOM   110  O OE2 . GLU A 1 14  ? 21.063  10.757  22.483 1.000 36.228 0 12  GLU AAA OE2 1 ? 
ATOM   111  N N   . ILE A 1 15  ? 16.239  9.958   17.706 1.000 13.058 0 13  ILE AAA N   1 ? 
ATOM   112  C CA  . ILE A 1 15  ? 15.000  9.195   17.442 1.000 12.422 0 13  ILE AAA CA  1 ? 
ATOM   113  C C   . ILE A 1 15  ? 15.351  8.107   16.434 1.000 11.950 0 13  ILE AAA C   1 ? 
ATOM   114  O O   . ILE A 1 15  ? 15.899  8.414   15.346 1.000 13.026 0 13  ILE AAA O   1 ? 
ATOM   115  C CB  . ILE A 1 15  ? 13.876  10.103  16.963 1.000 12.814 0 13  ILE AAA CB  1 ? 
ATOM   116  C CG1 . ILE A 1 15  ? 13.595  11.207  17.991 1.000 13.886 0 13  ILE AAA CG1 1 ? 
ATOM   117  C CG2 . ILE A 1 15  ? 12.665  9.269   16.684 1.000 13.905 0 13  ILE AAA CG2 1 ? 
ATOM   118  C CD1 . ILE A 1 15  ? 12.566  12.210  17.557 1.000 14.803 0 13  ILE AAA CD1 1 ? 
ATOM   119  N N   . PRO A 1 16  ? 15.063  6.823   16.650 1.000 12.209 0 14  PRO AAA N   1 ? 
ATOM   120  C CA  . PRO A 1 16  ? 15.295  5.818   15.614 1.000 12.349 0 14  PRO AAA CA  1 ? 
ATOM   121  C C   . PRO A 1 16  ? 14.600  6.172   14.306 1.000 11.922 0 14  PRO AAA C   1 ? 
ATOM   122  O O   . PRO A 1 16  ? 13.416  6.572   14.282 1.000 12.465 0 14  PRO AAA O   1 ? 
ATOM   123  C CB  . PRO A 1 16  ? 14.741  4.537   16.252 1.000 12.985 0 14  PRO AAA CB  1 ? 
ATOM   124  C CG  . PRO A 1 16  ? 14.848  4.791   17.754 1.000 13.097 0 14  PRO AAA CG  1 ? 
ATOM   125  C CD  . PRO A 1 16  ? 14.507  6.244   17.886 1.000 12.908 0 14  PRO AAA CD  1 ? 
ATOM   126  N N   . VAL A 1 17  ? 15.336  5.988   13.241 1.000 12.623 0 15  VAL AAA N   1 ? 
ATOM   127  C CA  . VAL A 1 17  ? 14.860  6.258   11.873 1.000 12.811 0 15  VAL AAA CA  1 ? 
ATOM   128  C C   . VAL A 1 17  ? 13.938  5.103   11.428 1.000 12.630 0 15  VAL AAA C   1 ? 
ATOM   129  O O   . VAL A 1 17  ? 14.231  3.935   11.820 1.000 13.798 0 15  VAL AAA O   1 ? 
ATOM   130  C CB  . VAL A 1 17  ? 16.108  6.440   10.966 1.000 14.027 0 15  VAL AAA CB  1 ? 
ATOM   131  C CG1 . VAL A 1 17  ? 15.774  6.542   9.497  1.000 16.888 0 15  VAL AAA CG1 1 ? 
ATOM   132  C CG2 . VAL A 1 17  ? 16.905  7.651   11.396 1.000 16.010 0 15  VAL AAA CG2 1 ? 
ATOM   133  N N   . LEU A 1 18  ? 12.887  5.387   10.677 1.000 12.343 0 16  LEU AAA N   1 ? 
ATOM   134  C CA  . LEU A 1 18  ? 12.032  4.317   10.145 1.000 12.138 0 16  LEU AAA CA  1 ? 
ATOM   135  C C   . LEU A 1 18  ? 12.394  4.007   8.704  1.000 12.122 0 16  LEU AAA C   1 ? 
ATOM   136  O O   . LEU A 1 18  ? 13.191  4.716   8.108  1.000 13.170 0 16  LEU AAA O   1 ? 
ATOM   137  C CB  . LEU A 1 18  ? 10.580  4.728   10.316 1.000 12.939 0 16  LEU AAA CB  1 ? 
ATOM   138  C CG  . LEU A 1 18  ? 10.114  4.877   11.774 1.000 13.693 0 16  LEU AAA CG  1 ? 
ATOM   139  C CD1 . LEU A 1 18  ? 10.420  6.278   12.369 1.000 13.868 0 16  LEU AAA CD1 1 ? 
ATOM   140  C CD2 . LEU A 1 18  ? 8.679   4.549   11.934 1.000 14.005 0 16  LEU AAA CD2 1 ? 
ATOM   141  N N   . LYS A 1 19  ? 11.844  2.904   8.204  1.000 12.478 0 17  LYS AAA N   1 ? 
ATOM   142  C CA  . LYS A 1 19  ? 12.302  2.354   6.921  1.000 14.844 0 17  LYS AAA CA  1 ? 
ATOM   143  C C   . LYS A 1 19  ? 11.154  1.948   6.038  1.000 13.949 0 17  LYS AAA C   1 ? 
ATOM   144  O O   . LYS A 1 19  ? 11.247  2.195   4.805  1.000 15.424 0 17  LYS AAA O   1 ? 
ATOM   145  C CB  . LYS A 1 19  ? 13.221  1.150   7.082  1.000 18.981 0 17  LYS AAA CB  1 ? 
ATOM   146  C CG  . LYS A 1 19  ? 13.853  0.709   5.766  1.000 24.185 0 17  LYS AAA CG  1 ? 
ATOM   147  C CD  . LYS A 1 19  ? 14.242  -0.740  5.749  1.000 30.468 0 17  LYS AAA CD  1 ? 
ATOM   148  C CE  . LYS A 1 19  ? 13.026  -1.626  5.817  1.000 30.378 0 17  LYS AAA CE  1 ? 
ATOM   149  N NZ  . LYS A 1 19  ? 13.348  -2.993  5.315  1.000 27.879 0 17  LYS AAA NZ  1 ? 
ATOM   150  N N   . THR A 1 20  ? 10.137  1.289   6.519  1.000 12.944 0 18  THR AAA N   1 ? 
ATOM   151  C CA  . THR A 1 20  ? 9.227   0.559   5.622  1.000 12.129 0 18  THR AAA CA  1 ? 
ATOM   152  C C   . THR A 1 20  ? 8.221   1.509   4.997  1.000 12.140 0 18  THR AAA C   1 ? 
ATOM   153  O O   . THR A 1 20  ? 7.540   2.273   5.697  1.000 12.295 0 18  THR AAA O   1 ? 
ATOM   154  C CB  . THR A 1 20  ? 8.522   -0.587  6.361  1.000 12.127 0 18  THR AAA CB  1 ? 
ATOM   155  O OG1 . THR A 1 20  ? 9.520   -1.517  6.812  1.000 12.890 0 18  THR AAA OG1 1 ? 
ATOM   156  C CG2 . THR A 1 20  ? 7.515   -1.307  5.505  1.000 12.837 0 18  THR AAA CG2 1 ? 
ATOM   157  N N   . ASN A 1 21  ? 8.032   1.396   3.674  1.000 11.934 0 19  ASN AAA N   1 ? 
ATOM   158  C CA  . ASN A 1 21  ? 6.958   2.121   2.988  1.000 11.585 0 19  ASN AAA CA  1 ? 
ATOM   159  C C   . ASN A 1 21  ? 5.688   1.306   3.047  1.000 12.445 0 19  ASN AAA C   1 ? 
ATOM   160  O O   . ASN A 1 21  ? 5.475   0.463   2.131  1.000 14.168 0 19  ASN AAA O   1 ? 
ATOM   161  C CB  . ASN A 1 21  ? 7.311   2.407   1.516  1.000 11.992 0 19  ASN AAA CB  1 ? 
ATOM   162  C CG  . ASN A 1 21  ? 6.137   3.013   0.831  1.000 12.652 0 19  ASN AAA CG  1 ? 
ATOM   163  O OD1 . ASN A 1 21  ? 5.377   3.755   1.430  1.000 13.262 0 19  ASN AAA OD1 1 ? 
ATOM   164  N ND2 . ASN A 1 21  ? 5.936   2.688   -0.443 1.000 14.389 0 19  ASN AAA ND2 1 ? 
ATOM   165  N N   . ALA A 1 22  ? 4.879   1.469   4.072  1.000 12.060 0 20  ALA AAA N   1 ? 
ATOM   166  C CA  . ALA A 1 22  ? 3.599   0.775   4.181  1.000 12.142 0 20  ALA AAA CA  1 ? 
ATOM   167  C C   . ALA A 1 22  ? 2.634   1.673   4.915  1.000 12.162 0 20  ALA AAA C   1 ? 
ATOM   168  O O   . ALA A 1 22  ? 3.046   2.336   5.904  1.000 12.872 0 20  ALA AAA O   1 ? 
ATOM   169  C CB  . ALA A 1 22  ? 3.748   -0.527  4.915  1.000 13.119 0 20  ALA AAA CB  1 ? 
ATOM   170  N N   . GLY A 1 23  ? 1.373   1.597   4.512  1.000 12.433 0 21  GLY AAA N   1 ? 
ATOM   171  C CA  . GLY A 1 23  ? 0.270   2.227   5.192  1.000 12.814 0 21  GLY AAA CA  1 ? 
ATOM   172  C C   . GLY A 1 23  ? -0.764  1.189   5.629  1.000 12.026 0 21  GLY AAA C   1 ? 
ATOM   173  O O   . GLY A 1 23  ? -0.546  -0.016  5.497  1.000 13.651 0 21  GLY AAA O   1 ? 
ATOM   174  N N   . PRO A 1 24  ? -1.882  1.689   6.169  1.000 13.390 0 22  PRO AAA N   1 ? 
ATOM   175  C CA  . PRO A 1 24  ? -2.900  0.859   6.815  1.000 14.063 0 22  PRO AAA CA  1 ? 
ATOM   176  C C   . PRO A 1 24  ? -3.418  -0.361  6.049  1.000 16.673 0 22  PRO AAA C   1 ? 
ATOM   177  O O   . PRO A 1 24  ? -3.864  -1.345  6.689  1.000 18.263 0 22  PRO AAA O   1 ? 
ATOM   178  C CB  . PRO A 1 24  ? -4.094  1.802   6.982  1.000 15.846 0 22  PRO AAA CB  1 ? 
ATOM   179  C CG  . PRO A 1 24  ? -3.407  3.106   7.283  1.000 16.159 0 22  PRO AAA CG  1 ? 
ATOM   180  C CD  . PRO A 1 24  ? -2.162  3.096   6.420  1.000 13.842 0 22  PRO AAA CD  1 ? 
ATOM   181  N N   . ARG A 1 25  ? -3.399  -0.312  4.740  1.000 15.112 0 23  ARG AAA N   1 ? 
ATOM   182  C CA  . ARG A 1 25  ? -3.997  -1.440  3.942  1.000 17.580 0 23  ARG AAA CA  1 ? 
ATOM   183  C C   . ARG A 1 25  ? -2.941  -2.479  3.607  1.000 18.873 0 23  ARG AAA C   1 ? 
ATOM   184  O O   . ARG A 1 25  ? -3.243  -3.459  2.878  1.000 21.088 0 23  ARG AAA O   1 ? 
ATOM   185  C CB  . ARG A 1 25  ? -4.613  -0.866  2.667  1.000 20.243 0 23  ARG AAA CB  1 ? 
ATOM   186  C CG  . ARG A 1 25  ? -5.780  0.064   2.952  1.000 25.566 0 23  ARG AAA CG  1 ? 
ATOM   187  C CD  . ARG A 1 25  ? -6.405  0.493   1.648  1.000 28.423 0 23  ARG AAA CD  1 ? 
ATOM   188  N NE  . ARG A 1 25  ? -7.590  1.316   1.896  1.000 32.890 0 23  ARG AAA NE  1 ? 
ATOM   189  C CZ  . ARG A 1 25  ? -8.251  1.985   0.943  1.000 33.926 0 23  ARG AAA CZ  1 ? 
ATOM   190  N NH1 . ARG A 1 25  ? -7.811  1.949   -0.306 1.000 32.820 0 23  ARG AAA NH1 1 ? 
ATOM   191  N NH2 . ARG A 1 25  ? -9.310  2.717   1.271  1.000 38.278 0 23  ARG AAA NH2 1 ? 
ATOM   192  N N   . ASP A 1 26  ? -1.678  -2.313  3.999  1.000 16.555 0 24  ASP AAA N   1 ? 
ATOM   193  C CA  . ASP A 1 26  ? -0.545  -3.084  3.439  1.000 16.767 0 24  ASP AAA CA  1 ? 
ATOM   194  C C   . ASP A 1 26  ? -0.150  -4.334  4.252  1.000 14.758 0 24  ASP AAA C   1 ? 
ATOM   195  O O   . ASP A 1 26  ? 0.928   -4.854  4.031  1.000 16.801 0 24  ASP AAA O   1 ? 
ATOM   196  C CB  . ASP A 1 26  ? 0.641   -2.134  3.185  1.000 16.710 0 24  ASP AAA CB  1 ? 
ATOM   197  C CG  . ASP A 1 26  ? 0.358   -1.126  2.093  1.000 19.342 0 24  ASP AAA CG  1 ? 
ATOM   198  O OD1 . ASP A 1 26  ? -0.190  -1.551  0.994  1.000 22.102 0 24  ASP AAA OD1 1 ? 
ATOM   199  O OD2 . ASP A 1 26  ? 0.718   0.021   2.217  1.000 17.511 0 24  ASP AAA OD2 1 ? 
ATOM   200  N N   . ARG A 1 27  ? -1.037  -4.846  5.083  1.000 16.037 0 25  ARG AAA N   1 ? 
ATOM   201  C CA  . ARG A 1 27  ? -0.959  -6.210  5.626  1.000 16.969 0 25  ARG AAA CA  1 ? 
ATOM   202  C C   . ARG A 1 27  ? 0.357   -6.422  6.374  1.000 16.315 0 25  ARG AAA C   1 ? 
ATOM   203  O O   . ARG A 1 27  ? 0.642   -5.667  7.314  1.000 15.708 0 25  ARG AAA O   1 ? 
ATOM   204  C CB  . ARG A 1 27  ? -1.273  -7.254  4.534  1.000 19.989 0 25  ARG AAA CB  1 ? 
ATOM   205  C CG  . ARG A 1 27  ? -2.595  -7.009  3.816  1.000 23.477 0 25  ARG AAA CG  1 ? 
ATOM   206  C CD  . ARG A 1 27  ? -3.768  -6.816  4.736  1.000 30.979 0 25  ARG AAA CD  1 ? 
ATOM   207  N N   . GLU A 1 28  ? 1.142   -7.437  6.045  1.000 15.635 0 26  GLU AAA N   1 ? 
ATOM   208  C CA  . GLU A 1 28  ? 2.345   -7.785  6.797  1.000 15.196 0 26  GLU AAA CA  1 ? 
ATOM   209  C C   . GLU A 1 28  ? 3.343   -6.632  6.768  1.000 13.669 0 26  GLU AAA C   1 ? 
ATOM   210  O O   . GLU A 1 28  ? 4.159   -6.464  7.724  1.000 13.858 0 26  GLU AAA O   1 ? 
ATOM   211  C CB  . GLU A 1 28  ? 2.942   -9.109  6.299  1.000 17.995 0 26  GLU AAA CB  1 ? 
ATOM   212  C CG  . GLU A 1 28  ? 3.508   -9.103  4.886  1.000 19.830 0 26  GLU AAA CG  1 ? 
ATOM   213  C CD  . GLU A 1 28  ? 2.601   -9.012  3.667  1.000 24.746 0 26  GLU AAA CD  1 ? 
ATOM   214  O OE1 . GLU A 1 28  ? 1.396   -9.244  3.785  1.000 25.370 0 26  GLU AAA OE1 1 ? 
ATOM   215  O OE2 . GLU A 1 28  ? 3.167   -8.728  2.588  1.000 30.091 0 26  GLU AAA OE2 1 ? 
ATOM   216  N N   . LEU A 1 29  ? 3.397   -5.871  5.692  1.000 13.008 0 27  LEU AAA N   1 ? 
ATOM   217  C CA  . LEU A 1 29  ? 4.311   -4.708  5.652  1.000 12.570 0 27  LEU AAA CA  1 ? 
ATOM   218  C C   . LEU A 1 29  ? 3.832   -3.625  6.621  1.000 12.599 0 27  LEU AAA C   1 ? 
ATOM   219  O O   . LEU A 1 29  ? 4.694   -2.883  7.125  1.000 12.054 0 27  LEU AAA O   1 ? 
ATOM   220  C CB  . LEU A 1 29  ? 4.398   -4.226  4.200  1.000 13.270 0 27  LEU AAA CB  1 ? 
ATOM   221  C CG  . LEU A 1 29  ? 5.164   -5.141  3.260  1.000 15.763 0 27  LEU AAA CG  1 ? 
ATOM   222  C CD1 . LEU A 1 29  ? 4.959   -4.741  1.821  1.000 17.362 0 27  LEU AAA CD1 1 ? 
ATOM   223  C CD2 . LEU A 1 29  ? 6.646   -5.154  3.551  1.000 18.763 0 27  LEU AAA CD2 1 ? 
ATOM   224  N N   . TRP A 1 30  ? 2.533   -3.440  6.768  1.000 12.292 0 28  TRP AAA N   1 ? 
ATOM   225  C CA  . TRP A 1 30  ? 2.009   -2.503  7.782  1.000 12.509 0 28  TRP AAA CA  1 ? 
ATOM   226  C C   . TRP A 1 30  ? 2.336   -2.958  9.179  1.000 13.085 0 28  TRP AAA C   1 ? 
ATOM   227  O O   . TRP A 1 30  ? 2.758   -2.130  9.993  1.000 12.542 0 28  TRP AAA O   1 ? 
ATOM   228  C CB  . TRP A 1 30  ? 0.518   -2.283  7.558  1.000 13.317 0 28  TRP AAA CB  1 ? 
ATOM   229  C CG  . TRP A 1 30  ? -0.151  -1.367  8.531  1.000 12.809 0 28  TRP AAA CG  1 ? 
ATOM   230  C CD1 . TRP A 1 30  ? -1.205  -1.649  9.344  1.000 14.060 0 28  TRP AAA CD1 1 ? 
ATOM   231  C CD2 . TRP A 1 30  ? 0.238   -0.010  8.844  1.000 11.886 0 28  TRP AAA CD2 1 ? 
ATOM   232  N NE1 . TRP A 1 30  ? -1.516  -0.561  10.104 1.000 14.255 0 28  TRP AAA NE1 1 ? 
ATOM   233  C CE2 . TRP A 1 30  ? -0.656  0.472   9.832  1.000 12.887 0 28  TRP AAA CE2 1 ? 
ATOM   234  C CE3 . TRP A 1 30  ? 1.233   0.867   8.378  1.000 12.809 0 28  TRP AAA CE3 1 ? 
ATOM   235  C CZ2 . TRP A 1 30  ? -0.559  1.776   10.369 1.000 13.590 0 28  TRP AAA CZ2 1 ? 
ATOM   236  C CZ3 . TRP A 1 30  ? 1.303   2.143   8.917  1.000 12.581 0 28  TRP AAA CZ3 1 ? 
ATOM   237  C CH2 . TRP A 1 30  ? 0.443   2.571   9.903  1.000 13.276 0 28  TRP AAA CH2 1 ? 
ATOM   238  N N   . VAL A 1 31  ? 2.209   -4.249  9.494  1.000 12.565 0 29  VAL AAA N   1 ? 
ATOM   239  C CA  . VAL A 1 31  ? 2.657   -4.743  10.822 1.000 13.588 0 29  VAL AAA CA  1 ? 
ATOM   240  C C   . VAL A 1 31  ? 4.131   -4.408  11.023 1.000 12.128 0 29  VAL AAA C   1 ? 
ATOM   241  O O   . VAL A 1 31  ? 4.501   -3.989  12.132 1.000 12.510 0 29  VAL AAA O   1 ? 
ATOM   242  C CB  . VAL A 1 31  ? 2.316   -6.242  10.926 1.000 13.590 0 29  VAL AAA CB  1 ? 
ATOM   243  C CG1 . VAL A 1 31  ? 2.937   -6.835  12.200 1.000 14.823 0 29  VAL AAA CG1 1 ? 
ATOM   244  C CG2 . VAL A 1 31  ? 0.819   -6.464  10.854 1.000 16.016 0 29  VAL AAA CG2 1 ? 
ATOM   245  N N   . GLN A 1 32  ? 4.950   -4.575  10.009 1.000 11.799 0 30  GLN AAA N   1 ? 
ATOM   246  C CA  . GLN A 1 32  ? 6.384   -4.226  10.117 1.000 11.669 0 30  GLN AAA CA  1 ? 
ATOM   247  C C   . GLN A 1 32  ? 6.553   -2.721  10.345 1.000 12.227 0 30  GLN AAA C   1 ? 
ATOM   248  O O   . GLN A 1 32  ? 7.343   -2.323  11.230 1.000 12.389 0 30  GLN AAA O   1 ? 
ATOM   249  C CB  . GLN A 1 32  ? 7.114   -4.752  8.888  1.000 11.756 0 30  GLN AAA CB  1 ? 
ATOM   250  C CG  . GLN A 1 32  ? 8.550   -4.296  8.784  1.000 12.418 0 30  GLN AAA CG  1 ? 
ATOM   251  C CD  . GLN A 1 32  ? 9.406   -4.721  9.951  1.000 13.594 0 30  GLN AAA CD  1 ? 
ATOM   252  O OE1 . GLN A 1 32  ? 9.290   -5.864  10.437 1.000 14.478 0 30  GLN AAA OE1 1 ? 
ATOM   253  N NE2 . GLN A 1 32  ? 10.290  -3.837  10.370 1.000 13.073 0 30  GLN AAA NE2 1 ? 
ATOM   254  N N   . ARG A 1 33  ? 5.881   -1.890  9.575  1.000 11.577 0 31  ARG AAA N   1 ? 
ATOM   255  C CA  . ARG A 1 33  ? 5.966   -0.433  9.779  1.000 10.911 0 31  ARG AAA CA  1 ? 
ATOM   256  C C   . ARG A 1 33  ? 5.580   -0.101  11.213 1.000 11.073 0 31  ARG AAA C   1 ? 
ATOM   257  O O   . ARG A 1 33  ? 6.236   0.770   11.842 1.000 11.205 0 31  ARG AAA O   1 ? 
ATOM   258  C CB  . ARG A 1 33  ? 5.134   0.323   8.755  1.000 10.776 0 31  ARG AAA CB  1 ? 
ATOM   259  C CG  . ARG A 1 33  ? 5.167   1.839   8.966  1.000 11.287 0 31  ARG AAA CG  1 ? 
ATOM   260  C CD  . ARG A 1 33  ? 6.508   2.477   8.771  1.000 11.244 0 31  ARG AAA CD  1 ? 
ATOM   261  N NE  . ARG A 1 33  ? 6.469   3.926   8.970  1.000 10.712 0 31  ARG AAA NE  1 ? 
ATOM   262  C CZ  . ARG A 1 33  ? 7.337   4.792   8.436  1.000 10.350 0 31  ARG AAA CZ  1 ? 
ATOM   263  N NH1 . ARG A 1 33  ? 8.239   4.424   7.540  1.000 11.266 0 31  ARG AAA NH1 1 ? 
ATOM   264  N NH2 . ARG A 1 33  ? 7.325   6.042   8.909  1.000 11.625 0 31  ARG AAA NH2 1 ? 
ATOM   265  N N   . LEU A 1 34  ? 4.526   -0.733  11.738 1.000 11.261 0 32  LEU AAA N   1 ? 
ATOM   266  C CA  . LEU A 1 34  ? 4.094   -0.452  13.133 1.000 12.077 0 32  LEU AAA CA  1 ? 
ATOM   267  C C   . LEU A 1 34  ? 5.145   -0.880  14.135 1.000 12.193 0 32  LEU AAA C   1 ? 
ATOM   268  O O   . LEU A 1 34  ? 5.295   -0.161  15.188 1.000 12.783 0 32  LEU AAA O   1 ? 
ATOM   269  C CB  . LEU A 1 34  ? 2.788   -1.153  13.428 1.000 12.526 0 32  LEU AAA CB  1 ? 
ATOM   270  C CG  . LEU A 1 34  ? 1.567   -0.497  12.853 1.000 13.780 0 32  LEU AAA CG  1 ? 
ATOM   271  C CD1 . LEU A 1 34  ? 0.359   -1.417  12.967 1.000 14.928 0 32  LEU AAA CD1 1 ? 
ATOM   272  C CD2 . LEU A 1 34  ? 1.275   0.866   13.485 1.000 14.122 0 32  LEU AAA CD2 1 ? 
ATOM   273  N N   . LYS A 1 35  ? 5.941   -1.908  13.911 1.000 12.569 0 33  LYS AAA N   1 ? 
ATOM   274  C CA  . LYS A 1 35  ? 7.034   -2.238  14.834 1.000 13.811 0 33  LYS AAA CA  1 ? 
ATOM   275  C C   . LYS A 1 35  ? 8.004   -1.063  14.855 1.000 13.076 0 33  LYS AAA C   1 ? 
ATOM   276  O O   . LYS A 1 35  ? 8.513   -0.644  15.941 1.000 13.655 0 33  LYS AAA O   1 ? 
ATOM   277  C CB  . LYS A 1 35  ? 7.791   -3.491  14.369 1.000 16.119 0 33  LYS AAA CB  1 ? 
ATOM   278  C CG  . LYS A 1 35  ? 6.965   -4.751  14.439 1.000 16.773 0 33  LYS AAA CG  1 ? 
ATOM   279  C CD  . LYS A 1 35  ? 7.702   -5.985  14.001 1.000 17.410 0 33  LYS AAA CD  1 ? 
ATOM   280  C CE  . LYS A 1 35  ? 6.801   -7.174  14.168 1.000 20.862 0 33  LYS AAA CE  1 ? 
ATOM   281  N NZ  . LYS A 1 35  ? 7.415   -8.374  13.580 1.000 20.447 0 33  LYS AAA NZ  1 ? 
ATOM   282  N N   . GLU A 1 36  ? 8.332   -0.519  13.702 1.000 12.446 0 34  GLU AAA N   1 ? 
ATOM   283  C CA  . GLU A 1 36  ? 9.246   0.610   13.613 1.000 12.070 0 34  GLU AAA CA  1 ? 
ATOM   284  C C   . GLU A 1 36  ? 8.633   1.822   14.326 1.000 11.943 0 34  GLU AAA C   1 ? 
ATOM   285  O O   . GLU A 1 36  ? 9.371   2.578   15.034 1.000 11.938 0 34  GLU AAA O   1 ? 
ATOM   286  C CB  . GLU A 1 36  ? 9.596   0.926   12.158 1.000 11.989 0 34  GLU AAA CB  1 ? 
ATOM   287  C CG  . GLU A 1 36  ? 10.287  -0.236  11.418 1.000 13.292 0 34  GLU AAA CG  1 ? 
ATOM   288  C CD  . GLU A 1 36  ? 10.255  -0.121  9.895  1.000 13.200 0 34  GLU AAA CD  1 ? 
ATOM   289  O OE1 . GLU A 1 36  ? 9.971   1.008   9.347  1.000 13.597 0 34  GLU AAA OE1 1 ? 
ATOM   290  O OE2 . GLU A 1 36  ? 10.501  -1.153  9.230  1.000 14.049 0 34  GLU AAA OE2 1 ? 
ATOM   291  N N   . GLU A 1 37  ? 7.361   2.089   14.136 1.000 10.929 0 35  GLU AAA N   1 ? 
ATOM   292  C CA  . GLU A 1 37  ? 6.699   3.230   14.769 1.000 11.183 0 35  GLU AAA CA  1 ? 
ATOM   293  C C   . GLU A 1 37  ? 6.719   3.109   16.287 1.000 10.968 0 35  GLU AAA C   1 ? 
ATOM   294  O O   . GLU A 1 37  ? 7.046   4.076   16.996 1.000 11.014 0 35  GLU AAA O   1 ? 
ATOM   295  C CB  . GLU A 1 37  ? 5.241   3.331   14.304 1.000 10.816 0 35  GLU AAA CB  1 ? 
ATOM   296  C CG  . GLU A 1 37  ? 5.068   3.651   12.817 1.000 10.911 0 35  GLU AAA CG  1 ? 
ATOM   297  C CD  . GLU A 1 37  ? 5.400   5.073   12.444 1.000 11.276 0 35  GLU AAA CD  1 ? 
ATOM   298  O OE1 . GLU A 1 37  ? 5.669   5.918   13.329 1.000 11.804 0 35  GLU AAA OE1 1 ? 
ATOM   299  O OE2 . GLU A 1 37  ? 5.408   5.335   11.171 1.000 11.758 0 35  GLU AAA OE2 1 ? 
ATOM   300  N N   . TYR A 1 38  ? 6.367   1.935   16.811 1.000 10.962 0 36  TYR AAA N   1 ? 
ATOM   301  C CA  . TYR A 1 38  ? 6.320   1.738   18.278 1.000 10.921 0 36  TYR AAA CA  1 ? 
ATOM   302  C C   . TYR A 1 38  ? 7.737   1.833   18.833 1.000 10.733 0 36  TYR AAA C   1 ? 
ATOM   303  O O   . TYR A 1 38  ? 7.911   2.438   19.931 1.000 12.672 0 36  TYR AAA O   1 ? 
ATOM   304  C CB  . TYR A 1 38  ? 5.606   0.426   18.618 1.000 11.127 0 36  TYR AAA CB  1 ? 
ATOM   305  C CG  . TYR A 1 38  ? 4.114   0.574   18.781 1.000 11.594 0 36  TYR AAA CG  1 ? 
ATOM   306  C CD1 . TYR A 1 38  ? 3.213   0.263   17.758 1.000 11.644 0 36  TYR AAA CD1 1 ? 
ATOM   307  C CD2 . TYR A 1 38  ? 3.601   0.956   20.008 1.000 12.471 0 36  TYR AAA CD2 1 ? 
ATOM   308  C CE1 . TYR A 1 38  ? 1.861   0.422   17.943 1.000 12.223 0 36  TYR AAA CE1 1 ? 
ATOM   309  C CE2 . TYR A 1 38  ? 2.238   1.069   20.208 1.000 12.588 0 36  TYR AAA CE2 1 ? 
ATOM   310  C CZ  . TYR A 1 38  ? 1.366   0.785   19.158 1.000 11.993 0 36  TYR AAA CZ  1 ? 
ATOM   311  O OH  . TYR A 1 38  ? 0.029   0.876   19.426 1.000 14.042 0 36  TYR AAA OH  1 ? 
ATOM   312  N N   . GLN A 1 39  ? 8.731   1.288   18.179 1.000 11.091 0 37  GLN AAA N   1 ? 
ATOM   313  C CA  . GLN A 1 39  ? 10.098  1.350   18.700 1.000 13.098 0 37  GLN AAA CA  1 ? 
ATOM   314  C C   . GLN A 1 39  ? 10.642  2.776   18.645 1.000 11.931 0 37  GLN AAA C   1 ? 
ATOM   315  O O   . GLN A 1 39  ? 11.300  3.206   19.599 1.000 12.816 0 37  GLN AAA O   1 ? 
ATOM   316  C CB  . GLN A 1 39  ? 10.979  0.390   17.960 1.000 14.094 0 37  GLN AAA CB  1 ? 
ATOM   317  C CG  . GLN A 1 39  ? 10.676  -1.032  18.414 1.000 19.186 0 37  GLN AAA CG  1 ? 
ATOM   318  C CD  . GLN A 1 39  ? 11.684  -2.031  17.899 1.000 22.550 0 37  GLN AAA CD  1 ? 
ATOM   319  O OE1 . GLN A 1 39  ? 11.717  -2.327  16.698 1.000 29.537 0 37  GLN AAA OE1 1 ? 
ATOM   320  N NE2 . GLN A 1 39  ? 12.538  -2.607  18.758 1.000 18.810 0 37  GLN AAA NE2 1 ? 
ATOM   321  N N   A SER A 1 40  ? 10.318  3.547   17.625 0.500 11.900 0 38  SER AAA N   1 ? 
ATOM   322  N N   B SER A 1 40  ? 10.319  3.554   17.630 0.500 11.136 0 38  SER AAA N   1 ? 
ATOM   323  C CA  A SER A 1 40  ? 10.762  4.954   17.539 0.500 12.235 0 38  SER AAA CA  1 ? 
ATOM   324  C CA  B SER A 1 40  ? 10.779  4.957   17.588 0.500 10.778 0 38  SER AAA CA  1 ? 
ATOM   325  C C   A SER A 1 40  ? 10.039  5.788   18.613 0.500 12.545 0 38  SER AAA C   1 ? 
ATOM   326  C C   B SER A 1 40  ? 10.040  5.782   18.646 0.500 11.870 0 38  SER AAA C   1 ? 
ATOM   327  O O   A SER A 1 40  ? 10.687  6.630   19.302 0.500 12.549 0 38  SER AAA O   1 ? 
ATOM   328  O O   B SER A 1 40  ? 10.674  6.636   19.324 0.500 12.329 0 38  SER AAA O   1 ? 
ATOM   329  C CB  A SER A 1 40  ? 10.508  5.463   16.138 0.500 12.881 0 38  SER AAA CB  1 ? 
ATOM   330  C CB  B SER A 1 40  ? 10.576  5.550   16.229 0.500 10.283 0 38  SER AAA CB  1 ? 
ATOM   331  O OG  A SER A 1 40  ? 11.014  6.769   15.940 0.500 16.149 0 38  SER AAA OG  1 ? 
ATOM   332  O OG  B SER A 1 40  ? 11.471  4.976   15.309 0.500 10.241 0 38  SER AAA OG  1 ? 
ATOM   333  N N   . LEU A 1 41  ? 8.754   5.578   18.804 1.000 11.794 0 39  LEU AAA N   1 ? 
ATOM   334  C CA  . LEU A 1 41  ? 7.988   6.329   19.788 1.000 11.623 0 39  LEU AAA CA  1 ? 
ATOM   335  C C   . LEU A 1 41  ? 8.501   6.040   21.191 1.000 11.919 0 39  LEU AAA C   1 ? 
ATOM   336  O O   . LEU A 1 41  ? 8.589   6.982   21.987 1.000 12.501 0 39  LEU AAA O   1 ? 
ATOM   337  C CB  . LEU A 1 41  ? 6.513   5.966   19.683 1.000 13.364 0 39  LEU AAA CB  1 ? 
ATOM   338  C CG  . LEU A 1 41  ? 5.685   6.758   18.711 1.000 18.028 0 39  LEU AAA CG  1 ? 
ATOM   339  C CD1 . LEU A 1 41  ? 4.332   6.056   18.537 1.000 19.540 0 39  LEU AAA CD1 1 ? 
ATOM   340  C CD2 . LEU A 1 41  ? 5.514   8.241   19.266 1.000 15.867 0 39  LEU AAA CD2 1 ? 
ATOM   341  N N   . ILE A 1 42  ? 8.712   4.774   21.534 1.000 12.282 0 40  ILE AAA N   1 ? 
ATOM   342  C CA  . ILE A 1 42  ? 9.065   4.483   22.938 1.000 12.966 0 40  ILE AAA CA  1 ? 
ATOM   343  C C   . ILE A 1 42  ? 10.481  5.011   23.198 1.000 12.655 0 40  ILE AAA C   1 ? 
ATOM   344  O O   . ILE A 1 42  ? 10.722  5.489   24.355 1.000 13.510 0 40  ILE AAA O   1 ? 
ATOM   345  C CB  . ILE A 1 42  ? 8.883   2.990   23.282 1.000 13.242 0 40  ILE AAA CB  1 ? 
ATOM   346  C CG1 . ILE A 1 42  ? 8.786   2.781   24.796 1.000 14.195 0 40  ILE AAA CG1 1 ? 
ATOM   347  C CG2 . ILE A 1 42  ? 9.964   2.132   22.733 1.000 14.895 0 40  ILE AAA CG2 1 ? 
ATOM   348  C CD1 . ILE A 1 42  ? 7.638   3.436   25.440 1.000 18.667 0 40  ILE AAA CD1 1 ? 
ATOM   349  N N   . ARG A 1 43  ? 11.391  4.965   22.266 1.000 12.597 0 41  ARG AAA N   1 ? 
ATOM   350  C CA  . ARG A 1 43  ? 12.707  5.585   22.476 1.000 13.754 0 41  ARG AAA CA  1 ? 
ATOM   351  C C   . ARG A 1 43  ? 12.573  7.092   22.662 1.000 12.812 0 41  ARG AAA C   1 ? 
ATOM   352  O O   . ARG A 1 43  ? 13.262  7.681   23.545 1.000 13.959 0 41  ARG AAA O   1 ? 
ATOM   353  C CB  . ARG A 1 43  ? 13.631  5.248   21.298 1.000 14.368 0 41  ARG AAA CB  1 ? 
ATOM   354  C CG  . ARG A 1 43  ? 14.982  5.945   21.390 1.000 16.345 0 41  ARG AAA CG  1 ? 
ATOM   355  C CD  . ARG A 1 43  ? 15.741  5.542   22.656 1.000 18.345 0 41  ARG AAA CD  1 ? 
ATOM   356  N NE  . ARG A 1 43  ? 17.039  6.155   22.486 1.000 27.015 0 41  ARG AAA NE  1 ? 
ATOM   357  C CZ  . ARG A 1 43  ? 18.033  5.600   21.789 1.000 32.886 0 41  ARG AAA CZ  1 ? 
ATOM   358  N NH1 . ARG A 1 43  ? 19.164  6.266   21.662 1.000 42.461 0 41  ARG AAA NH1 1 ? 
ATOM   359  N NH2 . ARG A 1 43  ? 17.890  4.384   21.277 1.000 24.112 0 41  ARG AAA NH2 1 ? 
ATOM   360  N N   . TYR A 1 44  ? 11.731  7.751   21.873 1.000 12.292 0 42  TYR AAA N   1 ? 
ATOM   361  C CA  . TYR A 1 44  ? 11.488  9.193   22.031 1.000 12.512 0 42  TYR AAA CA  1 ? 
ATOM   362  C C   . TYR A 1 44  ? 10.957  9.455   23.431 1.000 12.258 0 42  TYR AAA C   1 ? 
ATOM   363  O O   . TYR A 1 44  ? 11.472  10.421  24.122 1.000 12.732 0 42  TYR AAA O   1 ? 
ATOM   364  C CB  . TYR A 1 44  ? 10.604  9.700   20.876 1.000 12.611 0 42  TYR AAA CB  1 ? 
ATOM   365  C CG  . TYR A 1 44  ? 10.283  11.173  20.948 1.000 12.620 0 42  TYR AAA CG  1 ? 
ATOM   366  C CD1 . TYR A 1 44  ? 11.280  12.113  21.109 1.000 13.354 0 42  TYR AAA CD1 1 ? 
ATOM   367  C CD2 . TYR A 1 44  ? 9.002   11.659  20.738 1.000 14.239 0 42  TYR AAA CD2 1 ? 
ATOM   368  C CE1 . TYR A 1 44  ? 10.989  13.457  21.174 1.000 13.468 0 42  TYR AAA CE1 1 ? 
ATOM   369  C CE2 . TYR A 1 44  ? 8.726   13.021  20.746 1.000 14.164 0 42  TYR AAA CE2 1 ? 
ATOM   370  C CZ  . TYR A 1 44  ? 9.722   13.926  20.990 1.000 13.645 0 42  TYR AAA CZ  1 ? 
ATOM   371  O OH  . TYR A 1 44  ? 9.399   15.271  21.063 1.000 13.948 0 42  TYR AAA OH  1 ? 
ATOM   372  N N   . VAL A 1 45  ? 9.977   8.717   23.918 1.000 12.460 0 43  VAL AAA N   1 ? 
ATOM   373  C CA  . VAL A 1 45  ? 9.453   8.867   25.293 1.000 13.347 0 43  VAL AAA CA  1 ? 
ATOM   374  C C   . VAL A 1 45  ? 10.567  8.704   26.308 1.000 13.681 0 43  VAL AAA C   1 ? 
ATOM   375  O O   . VAL A 1 45  ? 10.680  9.559   27.255 1.000 13.847 0 43  VAL AAA O   1 ? 
ATOM   376  C CB  . VAL A 1 45  ? 8.280   7.910   25.554 1.000 13.991 0 43  VAL AAA CB  1 ? 
ATOM   377  C CG1 . VAL A 1 45  ? 7.911   7.906   27.042 1.000 14.760 0 43  VAL AAA CG1 1 ? 
ATOM   378  C CG2 . VAL A 1 45  ? 7.082   8.270   24.717 1.000 16.481 0 43  VAL AAA CG2 1 ? 
ATOM   379  N N   . GLU A 1 46  ? 11.420  7.727   26.159 1.000 13.493 0 44  GLU AAA N   1 ? 
ATOM   380  C CA  . GLU A 1 46  ? 12.489  7.468   27.150 1.000 14.198 0 44  GLU AAA CA  1 ? 
ATOM   381  C C   . GLU A 1 46  ? 13.468  8.637   27.123 1.000 14.992 0 44  GLU AAA C   1 ? 
ATOM   382  O O   . GLU A 1 46  ? 13.917  9.130   28.200 1.000 15.266 0 44  GLU AAA O   1 ? 
ATOM   383  C CB  . GLU A 1 46  ? 13.116  6.119   26.811 1.000 17.548 0 44  GLU AAA CB  1 ? 
ATOM   384  C CG  . GLU A 1 46  ? 12.137  4.979   27.129 1.000 23.295 0 44  GLU AAA CG  1 ? 
ATOM   385  C CD  . GLU A 1 46  ? 12.469  3.646   26.472 1.000 29.225 0 44  GLU AAA CD  1 ? 
ATOM   386  O OE1 . GLU A 1 46  ? 11.734  2.681   26.751 1.000 32.022 0 44  GLU AAA OE1 1 ? 
ATOM   387  O OE2 . GLU A 1 46  ? 13.379  3.596   25.617 1.000 33.962 0 44  GLU AAA OE2 1 ? 
ATOM   388  N N   . ASN A 1 47  ? 13.872  9.097   25.969 1.000 13.516 0 45  ASN AAA N   1 ? 
ATOM   389  C CA  . ASN A 1 47  ? 14.771  10.260  25.825 1.000 14.296 0 45  ASN AAA CA  1 ? 
ATOM   390  C C   . ASN A 1 47  ? 14.106  11.472  26.471 1.000 13.830 0 45  ASN AAA C   1 ? 
ATOM   391  O O   . ASN A 1 47  ? 14.779  12.309  27.181 1.000 14.566 0 45  ASN AAA O   1 ? 
ATOM   392  C CB  . ASN A 1 47  ? 15.113  10.514  24.372 1.000 15.888 0 45  ASN AAA CB  1 ? 
ATOM   393  C CG  . ASN A 1 47  ? 15.949  9.441   23.701 1.000 18.436 0 45  ASN AAA CG  1 ? 
ATOM   394  O OD1 . ASN A 1 47  ? 16.510  8.574   24.346 1.000 21.105 0 45  ASN AAA OD1 1 ? 
ATOM   395  N ND2 . ASN A 1 47  ? 16.008  9.560   22.390 1.000 20.336 0 45  ASN AAA ND2 1 ? 
ATOM   396  N N   . ASN A 1 48  ? 12.825  11.681  26.262 1.000 12.834 0 46  ASN AAA N   1 ? 
ATOM   397  C CA  . ASN A 1 48  ? 12.102  12.825  26.863 1.000 13.248 0 46  ASN AAA CA  1 ? 
ATOM   398  C C   . ASN A 1 48  ? 12.130  12.745  28.380 1.000 13.866 0 46  ASN AAA C   1 ? 
ATOM   399  O O   . ASN A 1 48  ? 12.356  13.785  29.047 1.000 13.782 0 46  ASN AAA O   1 ? 
ATOM   400  C CB  . ASN A 1 48  ? 10.649  12.805  26.374 1.000 13.568 0 46  ASN AAA CB  1 ? 
ATOM   401  C CG  . ASN A 1 48  ? 10.490  13.265  24.929 1.000 13.780 0 46  ASN AAA CG  1 ? 
ATOM   402  O OD1 . ASN A 1 48  ? 11.398  13.855  24.346 1.000 15.148 0 46  ASN AAA OD1 1 ? 
ATOM   403  N ND2 . ASN A 1 48  ? 9.294   13.010  24.409 1.000 14.807 0 46  ASN AAA ND2 1 ? 
ATOM   404  N N   . LYS A 1 49  ? 11.892  11.573  28.955 1.000 13.447 0 47  LYS AAA N   1 ? 
ATOM   405  C CA  . LYS A 1 49  ? 11.929  11.390  30.422 1.000 14.279 0 47  LYS AAA CA  1 ? 
ATOM   406  C C   . LYS A 1 49  ? 13.296  11.769  30.929 1.000 15.255 0 47  LYS AAA C   1 ? 
ATOM   407  O O   . LYS A 1 49  ? 13.377  12.497  31.982 1.000 17.552 0 47  LYS AAA O   1 ? 
ATOM   408  C CB  . LYS A 1 49  ? 11.576  9.941   30.749 1.000 17.102 0 47  LYS AAA CB  1 ? 
ATOM   409  C CG  . LYS A 1 49  ? 10.122  9.589   30.605 1.000 17.480 0 47  LYS AAA CG  1 ? 
ATOM   410  C CD  . LYS A 1 49  ? 9.818   8.095   30.870 1.000 22.035 0 47  LYS AAA CD  1 ? 
ATOM   411  C CE  . LYS A 1 49  ? 8.350   7.780   30.894 1.000 23.765 0 47  LYS AAA CE  1 ? 
ATOM   412  N NZ  . LYS A 1 49  ? 8.139   6.374   31.375 1.000 27.489 0 47  LYS AAA NZ  1 ? 
ATOM   413  N N   A ASN A 1 50  ? 14.344  11.356  30.251 0.500 14.701 0 48  ASN AAA N   1 ? 
ATOM   414  N N   B ASN A 1 50  ? 14.350  11.398  30.245 0.500 15.332 0 48  ASN AAA N   1 ? 
ATOM   415  C CA  A ASN A 1 50  ? 15.741  11.624  30.664 0.500 15.708 0 48  ASN AAA CA  1 ? 
ATOM   416  C CA  B ASN A 1 50  ? 15.715  11.673  30.744 0.500 16.820 0 48  ASN AAA CA  1 ? 
ATOM   417  C C   A ASN A 1 50  ? 16.009  13.134  30.667 0.500 17.030 0 48  ASN AAA C   1 ? 
ATOM   418  C C   B ASN A 1 50  ? 16.059  13.159  30.622 0.500 17.946 0 48  ASN AAA C   1 ? 
ATOM   419  O O   A ASN A 1 50  ? 16.901  13.564  31.420 0.500 20.771 0 48  ASN AAA O   1 ? 
ATOM   420  O O   B ASN A 1 50  ? 17.051  13.604  31.228 0.500 21.240 0 48  ASN AAA O   1 ? 
ATOM   421  C CB  A ASN A 1 50  ? 16.715  10.879  29.753 0.500 17.351 0 48  ASN AAA CB  1 ? 
ATOM   422  C CB  B ASN A 1 50  ? 16.715  10.759  30.064 0.500 19.957 0 48  ASN AAA CB  1 ? 
ATOM   423  C CG  A ASN A 1 50  ? 18.158  10.906  30.186 0.500 19.880 0 48  ASN AAA CG  1 ? 
ATOM   424  C CG  B ASN A 1 50  ? 16.729  9.418   30.757 0.500 23.656 0 48  ASN AAA CG  1 ? 
ATOM   425  O OD1 A ASN A 1 50  ? 19.012  11.211  29.364 0.500 21.645 0 48  ASN AAA OD1 1 ? 
ATOM   426  O OD1 B ASN A 1 50  ? 16.104  8.464   30.309 0.500 30.380 0 48  ASN AAA OD1 1 ? 
ATOM   427  N ND2 A ASN A 1 50  ? 18.411  10.560  31.429 0.500 21.791 0 48  ASN AAA ND2 1 ? 
ATOM   428  N ND2 B ASN A 1 50  ? 17.389  9.371   31.894 0.500 29.007 0 48  ASN AAA ND2 1 ? 
ATOM   429  N N   . ALA A 1 51  ? 15.301  13.925  29.854 1.000 16.792 0 49  ALA AAA N   1 ? 
ATOM   430  C CA  . ALA A 1 51  ? 15.504  15.385  29.649 1.000 17.755 0 49  ALA AAA CA  1 ? 
ATOM   431  C C   . ALA A 1 51  ? 14.450  16.202  30.382 1.000 15.045 0 49  ALA AAA C   1 ? 
ATOM   432  O O   . ALA A 1 51  ? 14.284  17.399  30.061 1.000 14.814 0 49  ALA AAA O   1 ? 
ATOM   433  C CB  . ALA A 1 51  ? 15.462  15.657  28.191 1.000 20.124 0 49  ALA AAA CB  1 ? 
ATOM   434  N N   . ASP A 1 52  ? 13.732  15.634  31.324 1.000 15.308 0 50  ASP AAA N   1 ? 
ATOM   435  C CA  . ASP A 1 52  ? 12.651  16.319  32.045 1.000 15.136 0 50  ASP AAA CA  1 ? 
ATOM   436  C C   . ASP A 1 52  ? 11.652  16.981  31.091 1.000 14.385 0 50  ASP AAA C   1 ? 
ATOM   437  O O   . ASP A 1 52  ? 11.079  18.049  31.397 1.000 15.005 0 50  ASP AAA O   1 ? 
ATOM   438  C CB  . ASP A 1 52  ? 13.198  17.366  33.037 1.000 17.555 0 50  ASP AAA CB  1 ? 
ATOM   439  C CG  . ASP A 1 52  ? 12.136  17.844  34.007 1.000 20.845 0 50  ASP AAA CG  1 ? 
ATOM   440  O OD1 . ASP A 1 52  ? 11.299  17.021  34.406 1.000 23.396 0 50  ASP AAA OD1 1 ? 
ATOM   441  O OD2 . ASP A 1 52  ? 12.126  19.056  34.378 1.000 22.206 0 50  ASP AAA OD2 1 ? 
ATOM   442  N N   . ASN A 1 53  ? 11.312  16.269  29.998 1.000 14.553 0 51  ASN AAA N   1 ? 
ATOM   443  C CA  . ASN A 1 53  ? 10.358  16.786  28.993 1.000 14.780 0 51  ASN AAA CA  1 ? 
ATOM   444  C C   . ASN A 1 53  ? 9.415   15.651  28.585 1.000 13.377 0 51  ASN AAA C   1 ? 
ATOM   445  O O   . ASN A 1 53  ? 9.166   15.500  27.366 1.000 13.874 0 51  ASN AAA O   1 ? 
ATOM   446  C CB  . ASN A 1 53  ? 11.075  17.414  27.797 1.000 16.107 0 51  ASN AAA CB  1 ? 
ATOM   447  C CG  . ASN A 1 53  ? 10.130  18.223  26.941 1.000 16.811 0 51  ASN AAA CG  1 ? 
ATOM   448  O OD1 . ASN A 1 53  ? 9.264   18.911  27.470 1.000 22.423 0 51  ASN AAA OD1 1 ? 
ATOM   449  N ND2 . ASN A 1 53  ? 10.217  18.109  25.618 1.000 17.159 0 51  ASN AAA ND2 1 ? 
ATOM   450  N N   . ASP A 1 54  ? 8.914   14.883  29.530 1.000 13.464 0 52  ASP AAA N   1 ? 
ATOM   451  C CA  . ASP A 1 54  ? 7.970   13.796  29.214 1.000 13.796 0 52  ASP AAA CA  1 ? 
ATOM   452  C C   . ASP A 1 54  ? 6.598   14.407  28.933 1.000 14.233 0 52  ASP AAA C   1 ? 
ATOM   453  O O   . ASP A 1 54  ? 5.761   14.486  29.854 1.000 17.655 0 52  ASP AAA O   1 ? 
ATOM   454  C CB  . ASP A 1 54  ? 7.888   12.849  30.395 1.000 15.707 0 52  ASP AAA CB  1 ? 
ATOM   455  C CG  . ASP A 1 54  ? 7.185   11.547  30.045 1.000 17.475 0 52  ASP AAA CG  1 ? 
ATOM   456  O OD1 . ASP A 1 54  ? 6.896   11.265  28.881 1.000 16.816 0 52  ASP AAA OD1 1 ? 
ATOM   457  O OD2 . ASP A 1 54  ? 6.880   10.812  31.016 1.000 19.848 0 52  ASP AAA OD2 1 ? 
ATOM   458  N N   . TRP A 1 55  ? 6.301   14.749  27.701 1.000 13.139 0 53  TRP AAA N   1 ? 
ATOM   459  C CA  . TRP A 1 55  ? 5.253   15.682  27.353 1.000 12.852 0 53  TRP AAA CA  1 ? 
ATOM   460  C C   . TRP A 1 55  ? 4.036   15.029  26.667 1.000 12.995 0 53  TRP AAA C   1 ? 
ATOM   461  O O   . TRP A 1 55  ? 3.103   15.741  26.320 1.000 13.168 0 53  TRP AAA O   1 ? 
ATOM   462  C CB  . TRP A 1 55  ? 5.798   16.844  26.537 1.000 12.512 0 53  TRP AAA CB  1 ? 
ATOM   463  C CG  . TRP A 1 55  ? 6.266   16.520  25.155 1.000 12.143 0 53  TRP AAA CG  1 ? 
ATOM   464  C CD1 . TRP A 1 55  ? 7.481   16.074  24.752 1.000 12.017 0 53  TRP AAA CD1 1 ? 
ATOM   465  C CD2 . TRP A 1 55  ? 5.498   16.689  23.941 1.000 12.004 0 53  TRP AAA CD2 1 ? 
ATOM   466  N NE1 . TRP A 1 55  ? 7.523   15.927  23.393 1.000 13.097 0 53  TRP AAA NE1 1 ? 
ATOM   467  C CE2 . TRP A 1 55  ? 6.340   16.365  22.870 1.000 12.222 0 53  TRP AAA CE2 1 ? 
ATOM   468  C CE3 . TRP A 1 55  ? 4.201   17.153  23.664 1.000 12.681 0 53  TRP AAA CE3 1 ? 
ATOM   469  C CZ2 . TRP A 1 55  ? 5.908   16.442  21.546 1.000 12.758 0 53  TRP AAA CZ2 1 ? 
ATOM   470  C CZ3 . TRP A 1 55  ? 3.806   17.235  22.342 1.000 12.844 0 53  TRP AAA CZ3 1 ? 
ATOM   471  C CH2 . TRP A 1 55  ? 4.647   16.911  21.323 1.000 13.189 0 53  TRP AAA CH2 1 ? 
ATOM   472  N N   . PHE A 1 56  ? 4.036   13.706  26.454 1.000 13.570 0 54  PHE AAA N   1 ? 
ATOM   473  C CA  . PHE A 1 56  ? 2.853   13.097  25.800 1.000 13.634 0 54  PHE AAA CA  1 ? 
ATOM   474  C C   . PHE A 1 56  ? 2.787   11.610  26.114 1.000 14.526 0 54  PHE AAA C   1 ? 
ATOM   475  O O   . PHE A 1 56  ? 3.788   10.986  26.446 1.000 14.718 0 54  PHE AAA O   1 ? 
ATOM   476  C CB  . PHE A 1 56  ? 2.866   13.280  24.270 1.000 13.595 0 54  PHE AAA CB  1 ? 
ATOM   477  C CG  . PHE A 1 56  ? 3.866   12.401  23.574 1.000 13.992 0 54  PHE AAA CG  1 ? 
ATOM   478  C CD1 . PHE A 1 56  ? 3.479   11.123  23.138 1.000 14.420 0 54  PHE AAA CD1 1 ? 
ATOM   479  C CD2 . PHE A 1 56  ? 5.186   12.790  23.389 1.000 13.996 0 54  PHE AAA CD2 1 ? 
ATOM   480  C CE1 . PHE A 1 56  ? 4.379   10.283  22.505 1.000 15.262 0 54  PHE AAA CE1 1 ? 
ATOM   481  C CE2 . PHE A 1 56  ? 6.074   11.890  22.848 1.000 15.343 0 54  PHE AAA CE2 1 ? 
ATOM   482  C CZ  . PHE A 1 56  ? 5.675   10.684  22.365 1.000 15.723 0 54  PHE AAA CZ  1 ? 
ATOM   483  N N   . ARG A 1 57  ? 1.587   11.071  25.931 1.000 14.274 0 55  ARG AAA N   1 ? 
ATOM   484  C CA  . ARG A 1 57  ? 1.299   9.621   25.880 1.000 14.396 0 55  ARG AAA CA  1 ? 
ATOM   485  C C   . ARG A 1 57  ? 0.430   9.380   24.651 1.000 14.936 0 55  ARG AAA C   1 ? 
ATOM   486  O O   . ARG A 1 57  ? -0.467  10.193  24.377 1.000 15.123 0 55  ARG AAA O   1 ? 
ATOM   487  C CB  . ARG A 1 57  ? 0.565   9.159   27.145 1.000 16.103 0 55  ARG AAA CB  1 ? 
ATOM   488  C CG  . ARG A 1 57  ? 1.405   9.158   28.406 1.000 19.354 0 55  ARG AAA CG  1 ? 
ATOM   489  C CD  . ARG A 1 57  ? 2.354   7.988   28.466 1.000 19.907 0 55  ARG AAA CD  1 ? 
ATOM   490  N NE  . ARG A 1 57  ? 3.172   8.075   29.689 1.000 19.916 0 55  ARG AAA NE  1 ? 
ATOM   491  C CZ  . ARG A 1 57  ? 4.286   8.811   29.774 1.000 20.776 0 55  ARG AAA CZ  1 ? 
ATOM   492  N NH1 . ARG A 1 57  ? 4.664   9.583   28.763 1.000 17.504 0 55  ARG AAA NH1 1 ? 
ATOM   493  N NH2 . ARG A 1 57  ? 4.999   8.831   30.900 1.000 22.646 0 55  ARG AAA NH2 1 ? 
ATOM   494  N N   . LEU A 1 58  ? 0.678   8.274   23.970 1.000 13.692 0 56  LEU AAA N   1 ? 
ATOM   495  C CA  . LEU A 1 58  ? -0.151  7.869   22.810 1.000 13.383 0 56  LEU AAA CA  1 ? 
ATOM   496  C C   . LEU A 1 58  ? -0.459  6.388   22.906 1.000 13.684 0 56  LEU AAA C   1 ? 
ATOM   497  O O   . LEU A 1 58  ? 0.425   5.588   23.289 1.000 14.614 0 56  LEU AAA O   1 ? 
ATOM   498  C CB  . LEU A 1 58  ? 0.544   8.148   21.493 1.000 14.259 0 56  LEU AAA CB  1 ? 
ATOM   499  C CG  . LEU A 1 58  ? 0.495   9.594   20.992 1.000 15.847 0 56  LEU AAA CG  1 ? 
ATOM   500  C CD1 . LEU A 1 58  ? 1.433   9.795   19.852 1.000 16.488 0 56  LEU AAA CD1 1 ? 
ATOM   501  C CD2 . LEU A 1 58  ? -0.910  9.992   20.560 1.000 15.601 0 56  LEU AAA CD2 1 ? 
ATOM   502  N N   . GLU A 1 59  ? -1.639  6.009   22.430 1.000 14.200 0 57  GLU AAA N   1 ? 
ATOM   503  C CA  . GLU A 1 59  ? -2.064  4.630   22.151 1.000 14.407 0 57  GLU AAA CA  1 ? 
ATOM   504  C C   . GLU A 1 59  ? -2.731  4.586   20.794 1.000 13.051 0 57  GLU AAA C   1 ? 
ATOM   505  O O   . GLU A 1 59  ? -3.182  5.591   20.262 1.000 13.342 0 57  GLU AAA O   1 ? 
ATOM   506  C CB  . GLU A 1 59  ? -2.909  4.120   23.277 1.000 18.031 0 57  GLU AAA CB  1 ? 
ATOM   507  C CG  . GLU A 1 59  ? -4.216  4.752   23.428 1.000 23.139 0 57  GLU AAA CG  1 ? 
ATOM   508  C CD  . GLU A 1 59  ? -4.877  4.331   24.744 1.000 29.447 0 57  GLU AAA CD  1 ? 
ATOM   509  O OE1 . GLU A 1 59  ? -5.017  3.122   24.960 1.000 31.027 0 57  GLU AAA OE1 1 ? 
ATOM   510  O OE2 . GLU A 1 59  ? -5.203  5.194   25.577 1.000 35.685 0 57  GLU AAA OE2 1 ? 
ATOM   511  N N   . SER A 1 60  ? -2.870  3.376   20.296 1.000 12.660 0 58  SER AAA N   1 ? 
ATOM   512  C CA  . SER A 1 60  ? -3.592  3.125   19.039 1.000 12.969 0 58  SER AAA CA  1 ? 
ATOM   513  C C   . SER A 1 60  ? -4.673  2.081   19.248 1.000 12.592 0 58  SER AAA C   1 ? 
ATOM   514  O O   . SER A 1 60  ? -4.654  1.294   20.202 1.000 13.403 0 58  SER AAA O   1 ? 
ATOM   515  C CB  . SER A 1 60  ? -2.677  2.734   17.900 1.000 13.012 0 58  SER AAA CB  1 ? 
ATOM   516  O OG  . SER A 1 60  ? -2.205  1.391   17.981 1.000 13.945 0 58  SER AAA OG  1 ? 
ATOM   517  N N   . ASN A 1 61  ? -5.568  2.011   18.263 1.000 12.574 0 59  ASN AAA N   1 ? 
ATOM   518  C CA  . ASN A 1 61  ? -6.446  0.832   18.130 1.000 12.047 0 59  ASN AAA CA  1 ? 
ATOM   519  C C   . ASN A 1 61  ? -5.616  -0.387  17.764 1.000 12.471 0 59  ASN AAA C   1 ? 
ATOM   520  O O   . ASN A 1 61  ? -4.405  -0.350  17.526 1.000 13.062 0 59  ASN AAA O   1 ? 
ATOM   521  C CB  . ASN A 1 61  ? -7.580  1.140   17.165 1.000 12.333 0 59  ASN AAA CB  1 ? 
ATOM   522  C CG  . ASN A 1 61  ? -7.124  1.451   15.750 1.000 13.147 0 59  ASN AAA CG  1 ? 
ATOM   523  O OD1 . ASN A 1 61  ? -5.925  1.484   15.436 1.000 13.263 0 59  ASN AAA OD1 1 ? 
ATOM   524  N ND2 . ASN A 1 61  ? -8.064  1.651   14.825 1.000 14.010 0 59  ASN AAA ND2 1 ? 
ATOM   525  N N   . LYS A 1 62  ? -6.282  -1.543  17.681 1.000 13.512 0 60  LYS AAA N   1 ? 
ATOM   526  C CA  . LYS A 1 62  ? -5.573  -2.794  17.413 1.000 14.694 0 60  LYS AAA CA  1 ? 
ATOM   527  C C   . LYS A 1 62  ? -4.839  -2.725  16.099 1.000 13.389 0 60  LYS AAA C   1 ? 
ATOM   528  O O   . LYS A 1 62  ? -3.655  -3.179  16.022 1.000 16.091 0 60  LYS AAA O   1 ? 
ATOM   529  C CB  . LYS A 1 62  ? -6.558  -3.964  17.389 1.000 15.401 0 60  LYS AAA CB  1 ? 
ATOM   530  C CG  . LYS A 1 62  ? -5.917  -5.313  17.083 1.000 20.125 0 60  LYS AAA CG  1 ? 
ATOM   531  C CD  . LYS A 1 62  ? -6.858  -6.505  17.186 1.000 24.617 0 60  LYS AAA CD  1 ? 
ATOM   532  C CE  . LYS A 1 62  ? -6.171  -7.806  16.810 1.000 30.098 0 60  LYS AAA CE  1 ? 
ATOM   533  N NZ  . LYS A 1 62  ? -6.878  -8.987  17.358 1.000 39.712 0 60  LYS AAA NZ  1 ? 
ATOM   534  N N   . GLU A 1 63  ? -5.439  -2.171  15.053 1.000 13.905 0 61  GLU AAA N   1 ? 
ATOM   535  C CA  . GLU A 1 63  ? -4.813  -2.177  13.743 1.000 15.625 0 61  GLU AAA CA  1 ? 
ATOM   536  C C   . GLU A 1 63  ? -3.811  -1.048  13.558 1.000 14.759 0 61  GLU AAA C   1 ? 
ATOM   537  O O   . GLU A 1 63  ? -3.156  -1.046  12.505 1.000 15.091 0 61  GLU AAA O   1 ? 
ATOM   538  C CB  . GLU A 1 63  ? -5.855  -2.167  12.649 1.000 17.102 0 61  GLU AAA CB  1 ? 
ATOM   539  C CG  . GLU A 1 63  ? -6.703  -3.473  12.631 1.000 19.561 0 61  GLU AAA CG  1 ? 
ATOM   540  C CD  . GLU A 1 63  ? -6.037  -4.889  12.678 1.000 23.933 0 61  GLU AAA CD  1 ? 
ATOM   541  O OE1 . GLU A 1 63  ? -4.947  -5.109  12.055 1.000 26.683 0 61  GLU AAA OE1 1 ? 
ATOM   542  O OE2 . GLU A 1 63  ? -6.556  -5.848  13.364 1.000 28.175 0 61  GLU AAA OE2 1 ? 
ATOM   543  N N   . GLY A 1 64  ? -3.677  -0.143  14.531 1.000 13.921 0 62  GLY AAA N   1 ? 
ATOM   544  C CA  . GLY A 1 64  ? -2.625  0.890   14.428 1.000 13.339 0 62  GLY AAA CA  1 ? 
ATOM   545  C C   . GLY A 1 64  ? -3.035  2.050   13.538 1.000 13.665 0 62  GLY AAA C   1 ? 
ATOM   546  O O   . GLY A 1 64  ? -2.120  2.834   13.100 1.000 14.834 0 62  GLY AAA O   1 ? 
ATOM   547  N N   . THR A 1 65  ? -4.297  2.215   13.190 1.000 13.114 0 63  THR AAA N   1 ? 
ATOM   548  C CA  . THR A 1 65  ? -4.787  3.203   12.223 1.000 13.284 0 63  THR AAA CA  1 ? 
ATOM   549  C C   . THR A 1 65  ? -5.447  4.409   12.857 1.000 12.926 0 63  THR AAA C   1 ? 
ATOM   550  O O   . THR A 1 65  ? -5.710  5.433   12.174 1.000 14.556 0 63  THR AAA O   1 ? 
ATOM   551  C CB  . THR A 1 65  ? -5.763  2.538   11.246 1.000 16.538 0 63  THR AAA CB  1 ? 
ATOM   552  O OG1 . THR A 1 65  ? -6.906  2.109   12.011 1.000 15.129 0 63  THR AAA OG1 1 ? 
ATOM   553  C CG2 . THR A 1 65  ? -5.118  1.372   10.523 1.000 17.031 0 63  THR AAA CG2 1 ? 
ATOM   554  N N   A ARG A 1 66  ? -5.756  4.342   14.147 0.500 12.983 0 64  ARG AAA N   1 ? 
ATOM   555  N N   B ARG A 1 66  ? -5.754  4.341   14.146 0.500 13.179 0 64  ARG AAA N   1 ? 
ATOM   556  C CA  A ARG A 1 66  ? -6.336  5.454   14.910 0.500 13.344 0 64  ARG AAA CA  1 ? 
ATOM   557  C CA  B ARG A 1 66  ? -6.331  5.453   14.911 0.500 13.717 0 64  ARG AAA CA  1 ? 
ATOM   558  C C   A ARG A 1 66  ? -5.519  5.606   16.174 0.500 12.806 0 64  ARG AAA C   1 ? 
ATOM   559  C C   B ARG A 1 66  ? -5.511  5.603   16.172 0.500 12.974 0 64  ARG AAA C   1 ? 
ATOM   560  O O   A ARG A 1 66  ? -5.332  4.630   16.915 0.500 13.096 0 64  ARG AAA O   1 ? 
ATOM   561  O O   B ARG A 1 66  ? -5.309  4.620   16.900 0.500 13.157 0 64  ARG AAA O   1 ? 
ATOM   562  C CB  A ARG A 1 66  ? -7.805  5.209   15.264 0.500 13.704 0 64  ARG AAA CB  1 ? 
ATOM   563  C CB  B ARG A 1 66  ? -7.794  5.199   15.270 0.500 14.442 0 64  ARG AAA CB  1 ? 
ATOM   564  C CG  A ARG A 1 66  ? -8.743  5.164   14.069 0.500 15.351 0 64  ARG AAA CG  1 ? 
ATOM   565  C CG  B ARG A 1 66  ? -8.689  4.972   14.067 0.500 16.841 0 64  ARG AAA CG  1 ? 
ATOM   566  C CD  A ARG A 1 66  ? -8.830  6.486   13.362 0.500 18.148 0 64  ARG AAA CD  1 ? 
ATOM   567  C CD  B ARG A 1 66  ? -9.160  6.265   13.482 0.500 18.866 0 64  ARG AAA CD  1 ? 
ATOM   568  N NE  A ARG A 1 66  ? -9.755  6.612   12.220 0.500 19.102 0 64  ARG AAA NE  1 ? 
ATOM   569  N NE  B ARG A 1 66  ? -10.110 6.965   14.311 0.500 21.109 0 64  ARG AAA NE  1 ? 
ATOM   570  C CZ  A ARG A 1 66  ? -9.499  6.249   10.982 0.500 21.890 0 64  ARG AAA CZ  1 ? 
ATOM   571  C CZ  B ARG A 1 66  ? -10.784 8.048   13.947 0.500 21.775 0 64  ARG AAA CZ  1 ? 
ATOM   572  N NH1 A ARG A 1 66  ? -8.387  5.619   10.643 0.500 21.494 0 64  ARG AAA NH1 1 ? 
ATOM   573  N NH1 B ARG A 1 66  ? -10.658 8.537   12.723 0.500 22.178 0 64  ARG AAA NH1 1 ? 
ATOM   574  N NH2 A ARG A 1 66  ? -10.407 6.524   10.060 0.500 23.103 0 64  ARG AAA NH2 1 ? 
ATOM   575  N NH2 B ARG A 1 66  ? -11.563 8.628   14.823 0.500 20.697 0 64  ARG AAA NH2 1 ? 
ATOM   576  N N   . TRP A 1 67  ? -5.007  6.801   16.405 1.000 12.843 0 65  TRP AAA N   1 ? 
ATOM   577  C CA  . TRP A 1 67  ? -4.129  7.113   17.566 1.000 12.729 0 65  TRP AAA CA  1 ? 
ATOM   578  C C   . TRP A 1 67  ? -4.763  8.160   18.437 1.000 12.147 0 65  TRP AAA C   1 ? 
ATOM   579  O O   . TRP A 1 67  ? -5.442  9.084   17.891 1.000 12.893 0 65  TRP AAA O   1 ? 
ATOM   580  C CB  . TRP A 1 67  ? -2.754  7.568   17.057 1.000 12.921 0 65  TRP AAA CB  1 ? 
ATOM   581  C CG  . TRP A 1 67  ? -1.994  6.469   16.406 1.000 12.461 0 65  TRP AAA CG  1 ? 
ATOM   582  C CD1 . TRP A 1 67  ? -2.172  5.921   15.180 1.000 13.398 0 65  TRP AAA CD1 1 ? 
ATOM   583  C CD2 . TRP A 1 67  ? -0.910  5.730   17.006 1.000 12.183 0 65  TRP AAA CD2 1 ? 
ATOM   584  N NE1 . TRP A 1 67  ? -1.290  4.903   14.964 1.000 13.310 0 65  TRP AAA NE1 1 ? 
ATOM   585  C CE2 . TRP A 1 67  ? -0.502  4.750   16.067 1.000 13.088 0 65  TRP AAA CE2 1 ? 
ATOM   586  C CE3 . TRP A 1 67  ? -0.271  5.787   18.256 1.000 13.288 0 65  TRP AAA CE3 1 ? 
ATOM   587  C CZ2 . TRP A 1 67  ? 0.539   3.868   16.348 1.000 13.589 0 65  TRP AAA CZ2 1 ? 
ATOM   588  C CZ3 . TRP A 1 67  ? 0.737   4.882   18.517 1.000 14.790 0 65  TRP AAA CZ3 1 ? 
ATOM   589  C CH2 . TRP A 1 67  ? 1.144   3.974   17.555 1.000 14.334 0 65  TRP AAA CH2 1 ? 
ATOM   590  N N   . PHE A 1 68  ? -4.543  8.106   19.704 1.000 12.672 0 66  PHE AAA N   1 ? 
ATOM   591  C CA  . PHE A 1 68  ? -5.151  9.062   20.638 1.000 13.241 0 66  PHE AAA CA  1 ? 
ATOM   592  C C   . PHE A 1 68  ? -4.334  9.080   21.904 1.000 13.111 0 66  PHE AAA C   1 ? 
ATOM   593  O O   . PHE A 1 68  ? -3.661  8.055   22.263 1.000 14.590 0 66  PHE AAA O   1 ? 
ATOM   594  C CB  . PHE A 1 68  ? -6.638  8.756   20.878 1.000 15.276 0 66  PHE AAA CB  1 ? 
ATOM   595  C CG  . PHE A 1 68  ? -6.906  7.352   21.349 1.000 18.709 0 66  PHE AAA CG  1 ? 
ATOM   596  C CD1 . PHE A 1 68  ? -7.027  7.034   22.687 1.000 21.771 0 66  PHE AAA CD1 1 ? 
ATOM   597  C CD2 . PHE A 1 68  ? -6.965  6.324   20.426 1.000 19.702 0 66  PHE AAA CD2 1 ? 
ATOM   598  C CE1 . PHE A 1 68  ? -7.260  5.723   23.106 1.000 26.621 0 66  PHE AAA CE1 1 ? 
ATOM   599  C CE2 . PHE A 1 68  ? -7.143  5.003   20.845 1.000 23.217 0 66  PHE AAA CE2 1 ? 
ATOM   600  C CZ  . PHE A 1 68  ? -7.316  4.715   22.176 1.000 24.411 0 66  PHE AAA CZ  1 ? 
ATOM   601  N N   . GLY A 1 69  ? -4.424  10.174  22.649 1.000 12.898 0 67  GLY AAA N   1 ? 
ATOM   602  C CA  . GLY A 1 69  ? -3.771  10.266  23.941 1.000 14.034 0 67  GLY AAA CA  1 ? 
ATOM   603  C C   . GLY A 1 69  ? -3.822  11.677  24.465 1.000 14.248 0 67  GLY AAA C   1 ? 
ATOM   604  O O   . GLY A 1 69  ? -4.815  12.349  24.278 1.000 13.736 0 67  GLY AAA O   1 ? 
ATOM   605  N N   . LYS A 1 70  ? -2.715  12.085  25.089 1.000 13.988 0 68  LYS AAA N   1 ? 
ATOM   606  C CA  . LYS A 1 70  ? -2.655  13.353  25.830 1.000 14.864 0 68  LYS AAA CA  1 ? 
ATOM   607  C C   . LYS A 1 70  ? -1.323  13.979  25.565 1.000 14.380 0 68  LYS AAA C   1 ? 
ATOM   608  O O   . LYS A 1 70  ? -0.316  13.247  25.412 1.000 15.048 0 68  LYS AAA O   1 ? 
ATOM   609  C CB  . LYS A 1 70  ? -2.824  13.089  27.320 1.000 16.657 0 68  LYS AAA CB  1 ? 
ATOM   610  C CG  . LYS A 1 70  ? -4.166  12.454  27.659 1.000 20.896 0 68  LYS AAA CG  1 ? 
ATOM   611  C CD  . LYS A 1 70  ? -4.482  12.296  29.154 1.000 25.698 0 68  LYS AAA CD  1 ? 
ATOM   612  C CE  . LYS A 1 70  ? -5.941  11.952  29.410 1.000 27.120 0 68  LYS AAA CE  1 ? 
ATOM   613  N NZ  . LYS A 1 70  ? -6.121  11.395  30.767 1.000 35.595 0 68  LYS AAA NZ  1 ? 
ATOM   614  N N   . CYS A 1 71  ? -1.273  15.302  25.598 1.000 14.417 0 69  CYS AAA N   1 ? 
ATOM   615  C CA  . CYS A 1 71  ? -0.026  16.051  25.720 1.000 13.596 0 69  CYS AAA CA  1 ? 
ATOM   616  C C   . CYS A 1 71  ? -0.137  16.999  26.898 1.000 14.552 0 69  CYS AAA C   1 ? 
ATOM   617  O O   . CYS A 1 71  ? -1.247  17.365  27.336 1.000 15.038 0 69  CYS AAA O   1 ? 
ATOM   618  C CB  . CYS A 1 71  ? 0.326   16.730  24.400 1.000 15.213 0 69  CYS AAA CB  1 ? 
ATOM   619  S SG  . CYS A 1 71  ? -0.730  18.126  23.922 1.000 15.902 0 69  CYS AAA SG  1 ? 
ATOM   620  N N   . TRP A 1 72  ? 1.032   17.401  27.353 1.000 13.945 0 70  TRP AAA N   1 ? 
ATOM   621  C CA  . TRP A 1 72  ? 1.141   18.352  28.474 1.000 16.213 0 70  TRP AAA CA  1 ? 
ATOM   622  C C   . TRP A 1 72  ? 2.087   19.465  28.043 1.000 16.068 0 70  TRP AAA C   1 ? 
ATOM   623  O O   . TRP A 1 72  ? 3.119   19.176  27.385 1.000 18.309 0 70  TRP AAA O   1 ? 
ATOM   624  C CB  . TRP A 1 72  ? 1.680   17.641  29.722 1.000 17.704 0 70  TRP AAA CB  1 ? 
ATOM   625  C CG  . TRP A 1 72  ? 0.721   16.629  30.280 1.000 18.113 0 70  TRP AAA CG  1 ? 
ATOM   626  C CD1 . TRP A 1 72  ? -0.348  16.862  31.093 1.000 18.858 0 70  TRP AAA CD1 1 ? 
ATOM   627  C CD2 . TRP A 1 72  ? 0.662   15.237  29.936 1.000 18.290 0 70  TRP AAA CD2 1 ? 
ATOM   628  N NE1 . TRP A 1 72  ? -1.034  15.687  31.332 1.000 20.698 0 70  TRP AAA NE1 1 ? 
ATOM   629  C CE2 . TRP A 1 72  ? -0.419  14.674  30.658 1.000 17.916 0 70  TRP AAA CE2 1 ? 
ATOM   630  C CE3 . TRP A 1 72  ? 1.479   14.391  29.200 1.000 20.212 0 70  TRP AAA CE3 1 ? 
ATOM   631  C CZ2 . TRP A 1 72  ? -0.756  13.319  30.541 1.000 21.033 0 70  TRP AAA CZ2 1 ? 
ATOM   632  C CZ3 . TRP A 1 72  ? 1.151   13.060  29.083 1.000 20.004 0 70  TRP AAA CZ3 1 ? 
ATOM   633  C CH2 . TRP A 1 72  ? 0.075   12.529  29.793 1.000 20.470 0 70  TRP AAA CH2 1 ? 
ATOM   634  N N   . TYR A 1 73  ? 1.767   20.690  28.389 1.000 14.475 0 71  TYR AAA N   1 ? 
ATOM   635  C CA  . TYR A 1 73  ? 2.545   21.897  28.044 1.000 14.040 0 71  TYR AAA CA  1 ? 
ATOM   636  C C   . TYR A 1 73  ? 2.734   22.710  29.323 1.000 14.751 0 71  TYR AAA C   1 ? 
ATOM   637  O O   . TYR A 1 73  ? 1.728   23.004  30.009 1.000 14.812 0 71  TYR AAA O   1 ? 
ATOM   638  C CB  . TYR A 1 73  ? 1.825   22.721  26.985 1.000 15.851 0 71  TYR AAA CB  1 ? 
ATOM   639  C CG  . TYR A 1 73  ? 2.702   23.848  26.526 1.000 14.566 0 71  TYR AAA CG  1 ? 
ATOM   640  C CD1 . TYR A 1 73  ? 3.692   23.653  25.587 1.000 15.339 0 71  TYR AAA CD1 1 ? 
ATOM   641  C CD2 . TYR A 1 73  ? 2.582   25.112  27.065 1.000 15.897 0 71  TYR AAA CD2 1 ? 
ATOM   642  C CE1 . TYR A 1 73  ? 4.552   24.669  25.228 1.000 16.140 0 71  TYR AAA CE1 1 ? 
ATOM   643  C CE2 . TYR A 1 73  ? 3.457   26.138  26.746 1.000 15.615 0 71  TYR AAA CE2 1 ? 
ATOM   644  C CZ  . TYR A 1 73  ? 4.450   25.901  25.820 1.000 16.023 0 71  TYR AAA CZ  1 ? 
ATOM   645  O OH  . TYR A 1 73  ? 5.362   26.884  25.503 1.000 17.008 0 71  TYR AAA OH  1 ? 
ATOM   646  N N   . ILE A 1 74  ? 3.965   23.049  29.648 1.000 15.123 0 72  ILE AAA N   1 ? 
ATOM   647  C CA  . ILE A 1 74  ? 4.307   23.811  30.886 1.000 16.577 0 72  ILE AAA CA  1 ? 
ATOM   648  C C   . ILE A 1 74  ? 4.496   25.270  30.527 1.000 15.855 0 72  ILE AAA C   1 ? 
ATOM   649  O O   . ILE A 1 74  ? 5.233   25.593  29.578 1.000 16.690 0 72  ILE AAA O   1 ? 
ATOM   650  C CB  . ILE A 1 74  ? 5.516   23.194  31.595 1.000 19.429 0 72  ILE AAA CB  1 ? 
ATOM   651  C CG1 . ILE A 1 74  ? 5.206   21.739  31.980 1.000 22.782 0 72  ILE AAA CG1 1 ? 
ATOM   652  C CG2 . ILE A 1 74  ? 5.909   24.009  32.824 1.000 22.808 0 72  ILE AAA CG2 1 ? 
ATOM   653  C CD1 . ILE A 1 74  ? 6.395   20.944  32.426 1.000 25.434 0 72  ILE AAA CD1 1 ? 
ATOM   654  N N   . HIS A 1 75  ? 3.822   26.151  31.252 1.000 15.362 0 73  HIS AAA N   1 ? 
ATOM   655  C CA  . HIS A 1 75  ? 3.973   27.609  31.072 1.000 15.159 0 73  HIS AAA CA  1 ? 
ATOM   656  C C   . HIS A 1 75  ? 3.962   28.259  32.450 1.000 15.005 0 73  HIS AAA C   1 ? 
ATOM   657  O O   . HIS A 1 75  ? 2.994   28.070  33.201 1.000 15.390 0 73  HIS AAA O   1 ? 
ATOM   658  C CB  . HIS A 1 75  ? 2.851   28.188  30.238 1.000 15.796 0 73  HIS AAA CB  1 ? 
ATOM   659  C CG  . HIS A 1 75  ? 3.126   29.564  29.780 1.000 17.069 0 73  HIS AAA CG  1 ? 
ATOM   660  N ND1 . HIS A 1 75  ? 2.496   30.685  30.254 1.000 24.029 0 73  HIS AAA ND1 1 ? 
ATOM   661  C CD2 . HIS A 1 75  ? 4.034   29.958  28.877 1.000 17.681 0 73  HIS AAA CD2 1 ? 
ATOM   662  C CE1 . HIS A 1 75  ? 3.019   31.718  29.601 1.000 19.612 0 73  HIS AAA CE1 1 ? 
ATOM   663  N NE2 . HIS A 1 75  ? 3.932   31.281  28.778 1.000 21.610 0 73  HIS AAA NE2 1 ? 
ATOM   664  N N   . ASP A 1 76  ? 5.012   29.001  32.773 1.000 14.527 0 74  ASP AAA N   1 ? 
ATOM   665  C CA  . ASP A 1 76  ? 5.150   29.644  34.120 1.000 15.883 0 74  ASP AAA CA  1 ? 
ATOM   666  C C   . ASP A 1 76  ? 4.998   28.569  35.210 1.000 16.528 0 74  ASP AAA C   1 ? 
ATOM   667  O O   . ASP A 1 76  ? 4.331   28.856  36.231 1.000 15.677 0 74  ASP AAA O   1 ? 
ATOM   668  C CB  . ASP A 1 76  ? 4.214   30.860  34.238 1.000 17.478 0 74  ASP AAA CB  1 ? 
ATOM   669  C CG  . ASP A 1 76  ? 4.444   32.009  33.259 1.000 19.809 0 74  ASP AAA CG  1 ? 
ATOM   670  O OD1 . ASP A 1 76  ? 5.570   32.101  32.698 1.000 21.532 0 74  ASP AAA OD1 1 ? 
ATOM   671  O OD2 . ASP A 1 76  ? 3.509   32.816  33.059 1.000 22.253 0 74  ASP AAA OD2 1 ? 
ATOM   672  N N   . LEU A 1 77  ? 5.548   27.374  34.984 1.000 15.481 0 75  LEU AAA N   1 ? 
ATOM   673  C CA  . LEU A 1 77  ? 5.627   26.219  35.875 1.000 16.673 0 75  LEU AAA CA  1 ? 
ATOM   674  C C   . LEU A 1 77  ? 4.304   25.447  35.996 1.000 18.046 0 75  LEU AAA C   1 ? 
ATOM   675  O O   . LEU A 1 77  ? 4.335   24.384  36.599 1.000 22.943 0 75  LEU AAA O   1 ? 
ATOM   676  C CB  . LEU A 1 77  ? 6.183   26.625  37.257 1.000 17.444 0 75  LEU AAA CB  1 ? 
ATOM   677  C CG  . LEU A 1 77  ? 7.645   27.042  37.244 1.000 14.921 0 75  LEU AAA CG  1 ? 
ATOM   678  C CD1 . LEU A 1 77  ? 8.065   27.467  38.637 1.000 16.057 0 75  LEU AAA CD1 1 ? 
ATOM   679  C CD2 . LEU A 1 77  ? 8.571   25.906  36.777 1.000 17.855 0 75  LEU AAA CD2 1 ? 
ATOM   680  N N   . LEU A 1 78  ? 3.204   25.982  35.501 1.000 15.768 0 76  LEU AAA N   1 ? 
ATOM   681  C CA  . LEU A 1 78  ? 1.888   25.264  35.501 1.000 16.676 0 76  LEU AAA CA  1 ? 
ATOM   682  C C   . LEU A 1 78  ? 1.823   24.328  34.291 1.000 15.268 0 76  LEU AAA C   1 ? 
ATOM   683  O O   . LEU A 1 78  ? 2.230   24.703  33.164 1.000 16.114 0 76  LEU AAA O   1 ? 
ATOM   684  C CB  . LEU A 1 78  ? 0.758   26.265  35.452 1.000 15.810 0 76  LEU AAA CB  1 ? 
ATOM   685  C CG  . LEU A 1 78  ? 0.609   27.152  36.679 1.000 18.957 0 76  LEU AAA CG  1 ? 
ATOM   686  C CD1 . LEU A 1 78  ? -0.485  28.191  36.486 1.000 19.132 0 76  LEU AAA CD1 1 ? 
ATOM   687  C CD2 . LEU A 1 78  ? 0.369   26.327  37.935 1.000 20.075 0 76  LEU AAA CD2 1 ? 
ATOM   688  N N   . LYS A 1 79  ? 1.272   23.154  34.534 1.000 16.184 0 77  LYS AAA N   1 ? 
ATOM   689  C CA  . LYS A 1 79  ? 1.146   22.106  33.495 1.000 16.448 0 77  LYS AAA CA  1 ? 
ATOM   690  C C   . LYS A 1 79  ? -0.280  22.038  32.953 1.000 16.799 0 77  LYS AAA C   1 ? 
ATOM   691  O O   . LYS A 1 79  ? -1.254  21.956  33.727 1.000 18.449 0 77  LYS AAA O   1 ? 
ATOM   692  C CB  . LYS A 1 79  ? 1.577   20.764  34.039 1.000 19.753 0 77  LYS AAA CB  1 ? 
ATOM   693  C CG  . LYS A 1 79  ? 1.572   19.649  33.006 1.000 22.645 0 77  LYS AAA CG  1 ? 
ATOM   694  C CD  . LYS A 1 79  ? 2.407   18.413  33.406 1.000 26.659 0 77  LYS AAA CD  1 ? 
ATOM   695  C CE  . LYS A 1 79  ? 1.934   17.738  34.673 1.000 34.157 0 77  LYS AAA CE  1 ? 
ATOM   696  N N   . TYR A 1 80  ? -0.430  22.181  31.645 1.000 15.801 0 78  TYR AAA N   1 ? 
ATOM   697  C CA  . TYR A 1 80  ? -1.714  22.220  30.925 1.000 15.697 0 78  TYR AAA CA  1 ? 
ATOM   698  C C   . TYR A 1 80  ? -1.849  20.932  30.121 1.000 15.027 0 78  TYR AAA C   1 ? 
ATOM   699  O O   . TYR A 1 80  ? -0.929  20.611  29.336 1.000 16.920 0 78  TYR AAA O   1 ? 
ATOM   700  C CB  . TYR A 1 80  ? -1.794  23.412  29.983 1.000 16.808 0 78  TYR AAA CB  1 ? 
ATOM   701  C CG  . TYR A 1 80  ? -1.776  24.749  30.680 1.000 17.098 0 78  TYR AAA CG  1 ? 
ATOM   702  C CD1 . TYR A 1 80  ? -2.939  25.484  30.840 1.000 17.416 0 78  TYR AAA CD1 1 ? 
ATOM   703  C CD2 . TYR A 1 80  ? -0.611  25.269  31.184 1.000 17.361 0 78  TYR AAA CD2 1 ? 
ATOM   704  C CE1 . TYR A 1 80  ? -2.946  26.697  31.517 1.000 19.244 0 78  TYR AAA CE1 1 ? 
ATOM   705  C CE2 . TYR A 1 80  ? -0.595  26.488  31.856 1.000 17.687 0 78  TYR AAA CE2 1 ? 
ATOM   706  C CZ  . TYR A 1 80  ? -1.746  27.225  31.969 1.000 17.943 0 78  TYR AAA CZ  1 ? 
ATOM   707  O OH  . TYR A 1 80  ? -1.771  28.453  32.616 1.000 18.376 0 78  TYR AAA OH  1 ? 
ATOM   708  N N   . GLU A 1 81  ? -2.956  20.228  30.269 1.000 14.866 0 79  GLU AAA N   1 ? 
ATOM   709  C CA  . GLU A 1 81  ? -3.167  18.961  29.554 1.000 15.572 0 79  GLU AAA CA  1 ? 
ATOM   710  C C   . GLU A 1 81  ? -4.168  19.121  28.416 1.000 15.016 0 79  GLU AAA C   1 ? 
ATOM   711  O O   . GLU A 1 81  ? -5.142  19.847  28.576 1.000 16.538 0 79  GLU AAA O   1 ? 
ATOM   712  C CB  . GLU A 1 81  ? -3.687  17.914  30.536 1.000 16.958 0 79  GLU AAA CB  1 ? 
ATOM   713  C CG  . GLU A 1 81  ? -3.889  16.533  29.890 1.000 19.157 0 79  GLU AAA CG  1 ? 
ATOM   714  C CD  . GLU A 1 81  ? -5.097  16.289  28.981 1.000 25.550 0 79  GLU AAA CD  1 ? 
ATOM   715  O OE1 . GLU A 1 81  ? -6.126  16.978  29.109 1.000 26.980 0 79  GLU AAA OE1 1 ? 
ATOM   716  O OE2 . GLU A 1 81  ? -4.997  15.371  28.074 1.000 28.760 0 79  GLU AAA OE2 1 ? 
ATOM   717  N N   . PHE A 1 82  ? -3.921  18.507  27.268 1.000 13.912 0 80  PHE AAA N   1 ? 
ATOM   718  C CA  . PHE A 1 82  ? -4.859  18.531  26.140 1.000 13.979 0 80  PHE AAA CA  1 ? 
ATOM   719  C C   . PHE A 1 82  ? -4.909  17.118  25.539 1.000 14.279 0 80  PHE AAA C   1 ? 
ATOM   720  O O   . PHE A 1 82  ? -3.893  16.480  25.252 1.000 14.760 0 80  PHE AAA O   1 ? 
ATOM   721  C CB  . PHE A 1 82  ? -4.402  19.518  25.054 1.000 15.060 0 80  PHE AAA CB  1 ? 
ATOM   722  C CG  . PHE A 1 82  ? -4.077  20.894  25.571 1.000 14.896 0 80  PHE AAA CG  1 ? 
ATOM   723  C CD1 . PHE A 1 82  ? -5.075  21.830  25.719 1.000 16.321 0 80  PHE AAA CD1 1 ? 
ATOM   724  C CD2 . PHE A 1 82  ? -2.781  21.237  25.885 1.000 16.195 0 80  PHE AAA CD2 1 ? 
ATOM   725  C CE1 . PHE A 1 82  ? -4.784  23.086  26.239 1.000 18.003 0 80  PHE AAA CE1 1 ? 
ATOM   726  C CE2 . PHE A 1 82  ? -2.491  22.502  26.408 1.000 17.501 0 80  PHE AAA CE2 1 ? 
ATOM   727  C CZ  . PHE A 1 82  ? -3.481  23.406  26.578 1.000 17.436 0 80  PHE AAA CZ  1 ? 
ATOM   728  N N   . ASP A 1 83  ? -6.111  16.644  25.294 1.000 13.908 0 81  ASP AAA N   1 ? 
ATOM   729  C CA  . ASP A 1 83  ? -6.339  15.402  24.530 1.000 13.758 0 81  ASP AAA CA  1 ? 
ATOM   730  C C   . ASP A 1 83  ? -5.996  15.593  23.069 1.000 12.912 0 81  ASP AAA C   1 ? 
ATOM   731  O O   . ASP A 1 83  ? -6.303  16.654  22.527 1.000 14.737 0 81  ASP AAA O   1 ? 
ATOM   732  C CB  . ASP A 1 83  ? -7.776  14.918  24.721 1.000 16.586 0 81  ASP AAA CB  1 ? 
ATOM   733  C CG  . ASP A 1 83  ? -8.094  14.431  26.140 1.000 20.172 0 81  ASP AAA CG  1 ? 
ATOM   734  O OD1 . ASP A 1 83  ? -7.243  14.394  27.000 1.000 24.086 0 81  ASP AAA OD1 1 ? 
ATOM   735  O OD2 . ASP A 1 83  ? -9.249  13.866  26.318 1.000 27.774 0 81  ASP AAA OD2 1 ? 
ATOM   736  N N   . ILE A 1 84  ? -5.384  14.580  22.471 1.000 12.437 0 82  ILE AAA N   1 ? 
ATOM   737  C CA  . ILE A 1 84  ? -4.947  14.614  21.061 1.000 13.201 0 82  ILE AAA CA  1 ? 
ATOM   738  C C   . ILE A 1 84  ? -5.423  13.341  20.364 1.000 12.564 0 82  ILE AAA C   1 ? 
ATOM   739  O O   . ILE A 1 84  ? -5.590  12.297  20.987 1.000 13.381 0 82  ILE AAA O   1 ? 
ATOM   740  C CB  . ILE A 1 84  ? -3.420  14.834  20.939 1.000 13.424 0 82  ILE AAA CB  1 ? 
ATOM   741  C CG1 . ILE A 1 84  ? -2.624  13.702  21.590 1.000 14.477 0 82  ILE AAA CG1 1 ? 
ATOM   742  C CG2 . ILE A 1 84  ? -3.046  16.229  21.528 1.000 14.237 0 82  ILE AAA CG2 1 ? 
ATOM   743  C CD1 . ILE A 1 84  ? -1.123  13.772  21.348 1.000 15.677 0 82  ILE AAA CD1 1 ? 
ATOM   744  N N   . GLU A 1 85  ? -5.555  13.440  19.058 1.000 13.342 0 83  GLU AAA N   1 ? 
ATOM   745  C CA  . GLU A 1 85  ? -5.968  12.285  18.237 1.000 14.139 0 83  GLU AAA CA  1 ? 
ATOM   746  C C   . GLU A 1 85  ? -5.556  12.505  16.802 1.000 13.461 0 83  GLU AAA C   1 ? 
ATOM   747  O O   . GLU A 1 85  ? -5.432  13.660  16.363 1.000 15.063 0 83  GLU AAA O   1 ? 
ATOM   748  C CB  . GLU A 1 85  ? -7.449  11.973  18.392 1.000 15.269 0 83  GLU AAA CB  1 ? 
ATOM   749  C CG  . GLU A 1 85  ? -8.345  13.043  17.821 1.000 16.092 0 83  GLU AAA CG  1 ? 
ATOM   750  C CD  . GLU A 1 85  ? -9.830  12.854  18.149 1.000 20.928 0 83  GLU AAA CD  1 ? 
ATOM   751  O OE1 . GLU A 1 85  ? -10.202 12.707  19.283 1.000 22.266 0 83  GLU AAA OE1 1 ? 
ATOM   752  O OE2 . GLU A 1 85  ? -10.601 12.873  17.200 1.000 30.834 0 83  GLU AAA OE2 1 ? 
ATOM   753  N N   . PHE A 1 86  ? -5.376  11.424  16.050 1.000 12.864 0 84  PHE AAA N   1 ? 
ATOM   754  C CA  . PHE A 1 86  ? -5.187  11.475  14.602 1.000 12.373 0 84  PHE AAA CA  1 ? 
ATOM   755  C C   . PHE A 1 86  ? -5.453  10.121  13.996 1.000 13.215 0 84  PHE AAA C   1 ? 
ATOM   756  O O   . PHE A 1 86  ? -5.272  9.064   14.602 1.000 13.766 0 84  PHE AAA O   1 ? 
ATOM   757  C CB  . PHE A 1 86  ? -3.798  12.005  14.237 1.000 14.116 0 84  PHE AAA CB  1 ? 
ATOM   758  C CG  . PHE A 1 86  ? -2.624  11.291  14.833 1.000 12.835 0 84  PHE AAA CG  1 ? 
ATOM   759  C CD1 . PHE A 1 86  ? -2.037  10.205  14.200 1.000 12.930 0 84  PHE AAA CD1 1 ? 
ATOM   760  C CD2 . PHE A 1 86  ? -2.087  11.716  16.038 1.000 14.718 0 84  PHE AAA CD2 1 ? 
ATOM   761  C CE1 . PHE A 1 86  ? -0.949  9.583   14.787 1.000 13.491 0 84  PHE AAA CE1 1 ? 
ATOM   762  C CE2 . PHE A 1 86  ? -1.031  11.062  16.631 1.000 15.476 0 84  PHE AAA CE2 1 ? 
ATOM   763  C CZ  . PHE A 1 86  ? -0.427  10.030  15.962 1.000 13.519 0 84  PHE AAA CZ  1 ? 
ATOM   764  N N   A ASP A 1 87  ? -5.804  10.162  12.730 0.500 14.080 0 85  ASP AAA N   1 ? 
ATOM   765  N N   B ASP A 1 87  ? -5.872  10.173  12.742 0.500 13.563 0 85  ASP AAA N   1 ? 
ATOM   766  C CA  A ASP A 1 87  ? -6.007  8.965   11.884 0.500 15.412 0 85  ASP AAA CA  1 ? 
ATOM   767  C CA  B ASP A 1 87  ? -6.007  9.036   11.799 0.500 14.371 0 85  ASP AAA CA  1 ? 
ATOM   768  C C   A ASP A 1 87  ? -4.777  8.822   10.993 0.500 14.781 0 85  ASP AAA C   1 ? 
ATOM   769  C C   B ASP A 1 87  ? -4.702  8.824   11.049 0.500 14.291 0 85  ASP AAA C   1 ? 
ATOM   770  O O   A ASP A 1 87  ? -4.142  9.841   10.631 0.500 15.441 0 85  ASP AAA O   1 ? 
ATOM   771  O O   B ASP A 1 87  ? -3.981  9.801   10.764 0.500 14.735 0 85  ASP AAA O   1 ? 
ATOM   772  C CB  A ASP A 1 87  ? -7.319  9.114   11.108 0.500 20.342 0 85  ASP AAA CB  1 ? 
ATOM   773  C CB  B ASP A 1 87  ? -7.001  9.352   10.669 0.500 17.853 0 85  ASP AAA CB  1 ? 
ATOM   774  C CG  A ASP A 1 87  ? -7.574  8.044   10.074 0.500 26.686 0 85  ASP AAA CG  1 ? 
ATOM   775  C CG  B ASP A 1 87  ? -8.413  9.693   11.103 0.500 20.099 0 85  ASP AAA CG  1 ? 
ATOM   776  O OD1 A ASP A 1 87  ? -7.654  6.855   10.466 0.500 32.614 0 85  ASP AAA OD1 1 ? 
ATOM   777  O OD1 B ASP A 1 87  ? -8.738  9.422   12.257 0.500 21.587 0 85  ASP AAA OD1 1 ? 
ATOM   778  O OD2 A ASP A 1 87  ? -7.676  8.422   8.881  0.500 28.174 0 85  ASP AAA OD2 1 ? 
ATOM   779  O OD2 B ASP A 1 87  ? -9.163  10.235  10.255 0.500 24.701 0 85  ASP AAA OD2 1 ? 
ATOM   780  N N   . ILE A 1 88  ? -4.384  7.603   10.680 1.000 13.674 0 86  ILE AAA N   1 ? 
ATOM   781  C CA  . ILE A 1 88  ? -3.280  7.347   9.743  1.000 13.042 0 86  ILE AAA CA  1 ? 
ATOM   782  C C   . ILE A 1 88  ? -3.839  7.403   8.333  1.000 14.123 0 86  ILE AAA C   1 ? 
ATOM   783  O O   . ILE A 1 88  ? -4.669  6.568   7.949  1.000 14.827 0 86  ILE AAA O   1 ? 
ATOM   784  C CB  . ILE A 1 88  ? -2.611  5.991   9.990  1.000 12.148 0 86  ILE AAA CB  1 ? 
ATOM   785  C CG1 . ILE A 1 88  ? -2.038  5.902   11.404 1.000 12.873 0 86  ILE AAA CG1 1 ? 
ATOM   786  C CG2 . ILE A 1 88  ? -1.556  5.738   8.927  1.000 12.511 0 86  ILE AAA CG2 1 ? 
ATOM   787  C CD1 . ILE A 1 88  ? -1.006  6.930   11.752 1.000 13.604 0 86  ILE AAA CD1 1 ? 
ATOM   788  N N   . PRO A 1 89  ? -3.342  8.301   7.458  1.000 14.395 0 87  PRO AAA N   1 ? 
ATOM   789  C CA  . PRO A 1 89  ? -3.788  8.358   6.076  1.000 15.082 0 87  PRO AAA CA  1 ? 
ATOM   790  C C   . PRO A 1 89  ? -3.486  7.025   5.374  1.000 13.327 0 87  PRO AAA C   1 ? 
ATOM   791  O O   . PRO A 1 89  ? -2.495  6.375   5.618  1.000 13.239 0 87  PRO AAA O   1 ? 
ATOM   792  C CB  . PRO A 1 89  ? -2.994  9.511   5.461  1.000 16.140 0 87  PRO AAA CB  1 ? 
ATOM   793  C CG  . PRO A 1 89  ? -2.554  10.364  6.604  1.000 17.378 0 87  PRO AAA CG  1 ? 
ATOM   794  C CD  . PRO A 1 89  ? -2.381  9.385   7.762  1.000 14.787 0 87  PRO AAA CD  1 ? 
ATOM   795  N N   . ILE A 1 90  ? -4.352  6.685   4.397  1.000 14.901 0 88  ILE AAA N   1 ? 
ATOM   796  C CA  . ILE A 1 90  ? -4.086  5.473   3.599  1.000 15.532 0 88  ILE AAA CA  1 ? 
ATOM   797  C C   . ILE A 1 90  ? -2.714  5.518   2.910  1.000 14.160 0 88  ILE AAA C   1 ? 
ATOM   798  O O   . ILE A 1 90  ? -2.034  4.533   2.784  1.000 16.374 0 88  ILE AAA O   1 ? 
ATOM   799  C CB  . ILE A 1 90  ? -5.244  5.250   2.593  1.000 17.875 0 88  ILE AAA CB  1 ? 
ATOM   800  C CG1 . ILE A 1 90  ? -6.616  5.102   3.271  1.000 19.941 0 88  ILE AAA CG1 1 ? 
ATOM   801  C CG2 . ILE A 1 90  ? -4.915  4.096   1.675  1.000 19.794 0 88  ILE AAA CG2 1 ? 
ATOM   802  C CD1 . ILE A 1 90  ? -6.672  4.098   4.371  1.000 23.368 0 88  ILE AAA CD1 1 ? 
ATOM   803  N N   . THR A 1 91  ? -2.274  6.714   2.496  1.000 13.375 0 89  THR AAA N   1 ? 
ATOM   804  C CA  . THR A 1 91  ? -1.004  6.954   1.776  1.000 14.367 0 89  THR AAA CA  1 ? 
ATOM   805  C C   . THR A 1 91  ? 0.164   7.303   2.727  1.000 12.036 0 89  THR AAA C   1 ? 
ATOM   806  O O   . THR A 1 91  ? 1.232   7.693   2.252  1.000 13.011 0 89  THR AAA O   1 ? 
ATOM   807  C CB  . THR A 1 91  ? -1.211  8.070   0.747  1.000 14.941 0 89  THR AAA CB  1 ? 
ATOM   808  O OG1 . THR A 1 91  ? -1.733  9.198   1.401  1.000 16.854 0 89  THR AAA OG1 1 ? 
ATOM   809  C CG2 . THR A 1 91  ? -2.195  7.643   -0.347 1.000 15.619 0 89  THR AAA CG2 1 ? 
ATOM   810  N N   . TYR A 1 92  ? -0.031  7.102   4.035  1.000 12.485 0 90  TYR AAA N   1 ? 
ATOM   811  C CA  . TYR A 1 92  ? 1.097   7.127   4.984  1.000 11.541 0 90  TYR AAA CA  1 ? 
ATOM   812  C C   . TYR A 1 92  ? 2.127   6.090   4.555  1.000 11.611 0 90  TYR AAA C   1 ? 
ATOM   813  O O   . TYR A 1 92  ? 1.709   5.027   4.043  1.000 12.999 0 90  TYR AAA O   1 ? 
ATOM   814  C CB  . TYR A 1 92  ? 0.532   6.806   6.376  1.000 12.267 0 90  TYR AAA CB  1 ? 
ATOM   815  C CG  . TYR A 1 92  ? 1.505   6.978   7.503  1.000 11.496 0 90  TYR AAA CG  1 ? 
ATOM   816  C CD1 . TYR A 1 92  ? 1.794   8.251   7.992  1.000 11.117 0 90  TYR AAA CD1 1 ? 
ATOM   817  C CD2 . TYR A 1 92  ? 2.158   5.897   8.068  1.000 12.248 0 90  TYR AAA CD2 1 ? 
ATOM   818  C CE1 . TYR A 1 92  ? 2.693   8.435   9.031  1.000 12.021 0 90  TYR AAA CE1 1 ? 
ATOM   819  C CE2 . TYR A 1 92  ? 3.075   6.058   9.107  1.000 11.383 0 90  TYR AAA CE2 1 ? 
ATOM   820  C CZ  . TYR A 1 92  ? 3.346   7.328   9.589  1.000 11.318 0 90  TYR AAA CZ  1 ? 
ATOM   821  O OH  . TYR A 1 92  ? 4.233   7.594   10.601 1.000 11.397 0 90  TYR AAA OH  1 ? 
ATOM   822  N N   . PRO A 1 93  ? 3.447   6.272   4.745  1.000 11.684 0 91  PRO AAA N   1 ? 
ATOM   823  C CA  . PRO A 1 93  ? 4.079   7.385   5.469  1.000 11.376 0 91  PRO AAA CA  1 ? 
ATOM   824  C C   . PRO A 1 93  ? 4.554   8.529   4.570  1.000 12.553 0 91  PRO AAA C   1 ? 
ATOM   825  O O   . PRO A 1 93  ? 5.197   9.457   5.021  1.000 12.576 0 91  PRO AAA O   1 ? 
ATOM   826  C CB  . PRO A 1 93  ? 5.298   6.697   6.104  1.000 12.491 0 91  PRO AAA CB  1 ? 
ATOM   827  C CG  . PRO A 1 93  ? 5.716   5.685   5.056  1.000 12.960 0 91  PRO AAA CG  1 ? 
ATOM   828  C CD  . PRO A 1 93  ? 4.400   5.173   4.510  1.000 12.771 0 91  PRO AAA CD  1 ? 
ATOM   829  N N   . THR A 1 94  ? 4.224   8.480   3.259  1.000 12.212 0 92  THR AAA N   1 ? 
ATOM   830  C CA  . THR A 1 94  ? 4.548   9.591   2.347  1.000 12.511 0 92  THR AAA CA  1 ? 
ATOM   831  C C   . THR A 1 94  ? 3.686   10.786  2.705  1.000 12.928 0 92  THR AAA C   1 ? 
ATOM   832  O O   . THR A 1 94  ? 4.237   11.919  2.732  1.000 15.251 0 92  THR AAA O   1 ? 
ATOM   833  C CB  . THR A 1 94  ? 4.419   9.126   0.889  1.000 12.233 0 92  THR AAA CB  1 ? 
ATOM   834  O OG1 . THR A 1 94  ? 5.321   8.055   0.706  1.000 13.644 0 92  THR AAA OG1 1 ? 
ATOM   835  C CG2 . THR A 1 94  ? 4.761   10.242  -0.073 1.000 13.839 0 92  THR AAA CG2 1 ? 
ATOM   836  N N   . THR A 1 95  ? 2.419   10.604  2.995  1.000 12.468 0 93  THR AAA N   1 ? 
ATOM   837  C CA  . THR A 1 95  ? 1.534   11.644  3.502  1.000 13.894 0 93  THR AAA CA  1 ? 
ATOM   838  C C   . THR A 1 95  ? 1.634   11.697  5.019  1.000 14.951 0 93  THR AAA C   1 ? 
ATOM   839  O O   . THR A 1 95  ? 1.556   10.641  5.639  1.000 16.440 0 93  THR AAA O   1 ? 
ATOM   840  C CB  . THR A 1 95  ? 0.045   11.364  3.103  1.000 15.659 0 93  THR AAA CB  1 ? 
ATOM   841  O OG1 . THR A 1 95  ? 0.004   11.352  1.635  1.000 19.115 0 93  THR AAA OG1 1 ? 
ATOM   842  C CG2 . THR A 1 95  ? -0.928  12.399  3.635  1.000 18.826 0 93  THR AAA CG2 1 ? 
ATOM   843  N N   . ALA A 1 96  ? 1.706   12.871  5.612  1.000 12.787 0 94  ALA AAA N   1 ? 
ATOM   844  C CA  . ALA A 1 96  ? 1.781   12.977  7.096  1.000 12.562 0 94  ALA AAA CA  1 ? 
ATOM   845  C C   . ALA A 1 96  ? 0.382   12.994  7.681  1.000 12.174 0 94  ALA AAA C   1 ? 
ATOM   846  O O   . ALA A 1 96  ? -0.555  13.584  7.122  1.000 13.580 0 94  ALA AAA O   1 ? 
ATOM   847  C CB  . ALA A 1 96  ? 2.513   14.232  7.488  1.000 14.058 0 94  ALA AAA CB  1 ? 
ATOM   848  N N   . PRO A 1 97  ? 0.172   12.463  8.878  1.000 12.820 0 95  PRO AAA N   1 ? 
ATOM   849  C CA  . PRO A 1 97  ? -1.110  12.552  9.575  1.000 13.194 0 95  PRO AAA CA  1 ? 
ATOM   850  C C   . PRO A 1 97  ? -1.412  14.004  9.990  1.000 13.804 0 95  PRO AAA C   1 ? 
ATOM   851  O O   . PRO A 1 97  ? -0.451  14.790  10.124 1.000 14.420 0 95  PRO AAA O   1 ? 
ATOM   852  C CB  . PRO A 1 97  ? -0.920  11.653  10.813 1.000 13.064 0 95  PRO AAA CB  1 ? 
ATOM   853  C CG  . PRO A 1 97  ? 0.250   10.777  10.476 1.000 13.374 0 95  PRO AAA CG  1 ? 
ATOM   854  C CD  . PRO A 1 97  ? 1.134   11.673  9.644  1.000 12.725 0 95  PRO AAA CD  1 ? 
ATOM   855  N N   . GLU A 1 98  ? -2.686  14.273  10.221 1.000 14.627 0 96  GLU AAA N   1 ? 
ATOM   856  C CA  . GLU A 1 98  ? -3.207  15.607  10.653 1.000 16.402 0 96  GLU AAA CA  1 ? 
ATOM   857  C C   . GLU A 1 98  ? -3.596  15.489  12.126 1.000 15.212 0 96  GLU AAA C   1 ? 
ATOM   858  O O   . GLU A 1 98  ? -4.632  14.917  12.409 1.000 15.888 0 96  GLU AAA O   1 ? 
ATOM   859  C CB  . GLU A 1 98  ? -4.377  16.050  9.783  1.000 19.208 0 96  GLU AAA CB  1 ? 
ATOM   860  C CG  . GLU A 1 98  ? -4.101  16.135  8.295  1.000 24.098 0 96  GLU AAA CG  1 ? 
ATOM   861  C CD  . GLU A 1 98  ? -5.335  16.521  7.463  1.000 28.950 0 96  GLU AAA CD  1 ? 
ATOM   862  O OE1 . GLU A 1 98  ? -6.320  15.766  7.426  1.000 31.973 0 96  GLU AAA OE1 1 ? 
ATOM   863  O OE2 . GLU A 1 98  ? -5.301  17.584  6.856  1.000 44.346 0 96  GLU AAA OE2 1 ? 
ATOM   864  N N   . ILE A 1 99  ? -2.793  16.010  13.008 1.000 14.670 0 97  ILE AAA N   1 ? 
ATOM   865  C CA  . ILE A 1 99  ? -3.112  15.960  14.459 1.000 15.373 0 97  ILE AAA CA  1 ? 
ATOM   866  C C   . ILE A 1 99  ? -4.272  16.880  14.778 1.000 15.140 0 97  ILE AAA C   1 ? 
ATOM   867  O O   . ILE A 1 99  ? -4.276  18.056  14.273 1.000 17.027 0 97  ILE AAA O   1 ? 
ATOM   868  C CB  . ILE A 1 99  ? -1.896  16.277  15.313 1.000 17.155 0 97  ILE AAA CB  1 ? 
ATOM   869  C CG1 . ILE A 1 99  ? -0.831  15.198  15.141 1.000 19.409 0 97  ILE AAA CG1 1 ? 
ATOM   870  C CG2 . ILE A 1 99  ? -2.250  16.450  16.786 1.000 18.088 0 97  ILE AAA CG2 1 ? 
ATOM   871  C CD1 . ILE A 1 99  ? 0.470   15.534  15.851 1.000 20.348 0 97  ILE AAA CD1 1 ? 
ATOM   872  N N   . ALA A 1 100 ? -5.160  16.435  15.619 1.000 13.959 0 98  ALA AAA N   1 ? 
ATOM   873  C CA  . ALA A 1 100 ? -6.245  17.264  16.164 1.000 14.696 0 98  ALA AAA CA  1 ? 
ATOM   874  C C   . ALA A 1 100 ? -6.079  17.394  17.664 1.000 14.174 0 98  ALA AAA C   1 ? 
ATOM   875  O O   . ALA A 1 100 ? -5.624  16.459  18.362 1.000 15.037 0 98  ALA AAA O   1 ? 
ATOM   876  C CB  . ALA A 1 100 ? -7.584  16.670  15.831 1.000 15.329 0 98  ALA AAA CB  1 ? 
ATOM   877  N N   . VAL A 1 101 ? -6.419  18.583  18.164 1.000 13.706 0 99  VAL AAA N   1 ? 
ATOM   878  C CA  . VAL A 1 101 ? -6.499  18.898  19.611 1.000 13.955 0 99  VAL AAA CA  1 ? 
ATOM   879  C C   . VAL A 1 101 ? -7.924  19.367  19.835 1.000 14.717 0 99  VAL AAA C   1 ? 
ATOM   880  O O   . VAL A 1 101 ? -8.228  20.579  19.816 1.000 14.963 0 99  VAL AAA O   1 ? 
ATOM   881  C CB  . VAL A 1 101 ? -5.469  19.951  20.028 1.000 14.974 0 99  VAL AAA CB  1 ? 
ATOM   882  C CG1 . VAL A 1 101 ? -5.457  20.138  21.521 1.000 16.407 0 99  VAL AAA CG1 1 ? 
ATOM   883  C CG2 . VAL A 1 101 ? -4.105  19.598  19.511 1.000 15.978 0 99  VAL AAA CG2 1 ? 
ATOM   884  N N   . PRO A 1 102 ? -8.890  18.445  19.949 1.000 15.021 0 100 PRO AAA N   1 ? 
ATOM   885  C CA  . PRO A 1 102 ? -10.301 18.828  19.810 1.000 16.811 0 100 PRO AAA CA  1 ? 
ATOM   886  C C   . PRO A 1 102 ? -10.776 19.890  20.788 1.000 16.202 0 100 PRO AAA C   1 ? 
ATOM   887  O O   . PRO A 1 102 ? -11.644 20.690  20.393 1.000 17.464 0 100 PRO AAA O   1 ? 
ATOM   888  C CB  . PRO A 1 102 ? -11.055 17.495  20.061 1.000 17.648 0 100 PRO AAA CB  1 ? 
ATOM   889  C CG  . PRO A 1 102 ? -10.066 16.489  19.528 1.000 19.242 0 100 PRO AAA CG  1 ? 
ATOM   890  C CD  . PRO A 1 102 ? -8.721  16.982  20.034 1.000 16.826 0 100 PRO AAA CD  1 ? 
ATOM   891  N N   . GLU A 1 103 ? -10.267 19.935  21.998 1.000 15.170 0 101 GLU AAA N   1 ? 
ATOM   892  C CA  . GLU A 1 103 ? -10.816 20.879  22.999 1.000 17.517 0 101 GLU AAA CA  1 ? 
ATOM   893  C C   . GLU A 1 103 ? -10.458 22.287  22.566 1.000 16.474 0 101 GLU AAA C   1 ? 
ATOM   894  O O   . GLU A 1 103 ? -11.073 23.241  23.090 1.000 18.368 0 101 GLU AAA O   1 ? 
ATOM   895  C CB  . GLU A 1 103 ? -10.347 20.568  24.407 1.000 19.585 0 101 GLU AAA CB  1 ? 
ATOM   896  C CG  . GLU A 1 103 ? -8.897  20.711  24.672 1.000 21.936 0 101 GLU AAA CG  1 ? 
ATOM   897  C CD  . GLU A 1 103 ? -8.468  19.893  25.895 1.000 24.785 0 101 GLU AAA CD  1 ? 
ATOM   898  O OE1 . GLU A 1 103 ? -8.277  18.623  25.785 1.000 20.950 0 101 GLU AAA OE1 1 ? 
ATOM   899  O OE2 . GLU A 1 103 ? -8.361  20.543  26.986 1.000 28.780 0 101 GLU AAA OE2 1 ? 
ATOM   900  N N   . LEU A 1 104 ? -9.505  22.491  21.671 1.000 14.791 0 102 LEU AAA N   1 ? 
ATOM   901  C CA  . LEU A 1 104 ? -9.125  23.855  21.232 1.000 15.463 0 102 LEU AAA CA  1 ? 
ATOM   902  C C   . LEU A 1 104 ? -9.862  24.304  19.984 1.000 13.792 0 102 LEU AAA C   1 ? 
ATOM   903  O O   . LEU A 1 104 ? -9.595  25.399  19.520 1.000 14.576 0 102 LEU AAA O   1 ? 
ATOM   904  C CB  . LEU A 1 104 ? -7.602  23.907  21.071 1.000 15.893 0 102 LEU AAA CB  1 ? 
ATOM   905  C CG  . LEU A 1 104 ? -6.813  23.720  22.376 1.000 15.582 0 102 LEU AAA CG  1 ? 
ATOM   906  C CD1 . LEU A 1 104 ? -5.321  23.879  22.096 1.000 16.948 0 102 LEU AAA CD1 1 ? 
ATOM   907  C CD2 . LEU A 1 104 ? -7.264  24.685  23.470 1.000 17.590 0 102 LEU AAA CD2 1 ? 
ATOM   908  N N   . ASP A 1 105 ? -10.745 23.469  19.430 1.000 13.635 0 103 ASP AAA N   1 ? 
ATOM   909  C CA  . ASP A 1 105 ? -11.566 23.825  18.256 1.000 14.399 0 103 ASP AAA CA  1 ? 
ATOM   910  C C   . ASP A 1 105 ? -12.284 25.175  18.542 1.000 14.358 0 103 ASP AAA C   1 ? 
ATOM   911  O O   . ASP A 1 105 ? -12.892 25.318  19.607 1.000 15.011 0 103 ASP AAA O   1 ? 
ATOM   912  C CB  . ASP A 1 105 ? -12.591 22.741  17.970 1.000 14.095 0 103 ASP AAA CB  1 ? 
ATOM   913  C CG  . ASP A 1 105 ? -13.467 22.901  16.763 1.000 14.583 0 103 ASP AAA CG  1 ? 
ATOM   914  O OD1 . ASP A 1 105 ? -13.040 23.560  15.820 1.000 16.373 0 103 ASP AAA OD1 1 ? 
ATOM   915  O OD2 . ASP A 1 105 ? -14.590 22.256  16.748 1.000 17.450 0 103 ASP AAA OD2 1 ? 
ATOM   916  N N   . GLY A 1 106 ? -12.129 26.076  17.618 1.000 16.267 0 104 GLY AAA N   1 ? 
ATOM   917  C CA  . GLY A 1 106 ? -12.723 27.430  17.774 1.000 17.133 0 104 GLY AAA CA  1 ? 
ATOM   918  C C   . GLY A 1 106 ? -11.947 28.331  18.705 1.000 18.718 0 104 GLY AAA C   1 ? 
ATOM   919  O O   . GLY A 1 106 ? -12.380 29.495  18.924 1.000 19.712 0 104 GLY AAA O   1 ? 
ATOM   920  N N   . LYS A 1 107 ? -10.841 27.880  19.296 1.000 17.993 0 105 LYS AAA N   1 ? 
ATOM   921  C CA  . LYS A 1 107 ? -10.112 28.680  20.313 1.000 17.720 0 105 LYS AAA CA  1 ? 
ATOM   922  C C   . LYS A 1 107 ? -8.754  29.041  19.717 1.000 18.573 0 105 LYS AAA C   1 ? 
ATOM   923  O O   . LYS A 1 107 ? -8.394  30.244  19.719 1.000 19.637 0 105 LYS AAA O   1 ? 
ATOM   924  C CB  . LYS A 1 107 ? -9.956  27.942  21.631 1.000 18.476 0 105 LYS AAA CB  1 ? 
ATOM   925  C CG  . LYS A 1 107 ? -11.255 27.533  22.292 1.000 19.108 0 105 LYS AAA CG  1 ? 
ATOM   926  C CD  . LYS A 1 107 ? -11.135 26.906  23.612 1.000 20.161 0 105 LYS AAA CD  1 ? 
ATOM   927  C CE  . LYS A 1 107 ? -12.486 26.463  24.137 1.000 22.777 0 105 LYS AAA CE  1 ? 
ATOM   928  N NZ  . LYS A 1 107 ? -12.380 25.863  25.486 1.000 28.357 0 105 LYS AAA NZ  1 ? 
ATOM   929  N N   . ALA A 1 108 ? -7.968  28.039  19.316 1.000 18.359 0 106 ALA AAA N   1 ? 
ATOM   930  C CA  . ALA A 1 108 ? -6.592  28.278  18.825 1.000 18.499 0 106 ALA AAA CA  1 ? 
ATOM   931  C C   . ALA A 1 108 ? -6.601  29.060  17.518 1.000 18.805 0 106 ALA AAA C   1 ? 
ATOM   932  O O   . ALA A 1 108 ? -7.459  28.777  16.649 1.000 21.049 0 106 ALA AAA O   1 ? 
ATOM   933  C CB  . ALA A 1 108 ? -5.837  26.972  18.726 1.000 19.044 0 106 ALA AAA CB  1 ? 
ATOM   934  N N   . ALA A 1 109 ? -5.665  29.973  17.329 1.000 20.499 0 107 ALA AAA N   1 ? 
ATOM   935  C CA  . ALA A 1 109 ? -5.554  30.766  16.093 1.000 24.737 0 107 ALA AAA CA  1 ? 
ATOM   936  C C   . ALA A 1 109 ? -5.198  29.838  14.934 1.000 26.123 0 107 ALA AAA C   1 ? 
ATOM   937  O O   . ALA A 1 109 ? -5.916  29.768  13.916 1.000 26.181 0 107 ALA AAA O   1 ? 
ATOM   938  C CB  . ALA A 1 109 ? -4.543  31.874  16.312 1.000 26.954 0 107 ALA AAA CB  1 ? 
ATOM   939  N N   . LYS A 1 110 ? -4.114  29.106  15.049 1.000 21.549 0 108 LYS AAA N   1 ? 
ATOM   940  C CA  . LYS A 1 110 ? -3.569  28.330  13.905 1.000 22.076 0 108 LYS AAA CA  1 ? 
ATOM   941  C C   . LYS A 1 110 ? -4.205  26.936  13.881 1.000 17.969 0 108 LYS AAA C   1 ? 
ATOM   942  O O   . LYS A 1 110 ? -3.534  25.921  14.236 1.000 18.433 0 108 LYS AAA O   1 ? 
ATOM   943  C CB  . LYS A 1 110 ? -2.041  28.261  14.033 1.000 22.983 0 108 LYS AAA CB  1 ? 
ATOM   944  C CG  . LYS A 1 110 ? -1.372  29.606  13.784 1.000 28.113 0 108 LYS AAA CG  1 ? 
ATOM   945  C CD  . LYS A 1 110 ? -1.960  30.373  12.622 1.000 33.738 0 108 LYS AAA CD  1 ? 
ATOM   946  C CE  . LYS A 1 110 ? -1.069  31.521  12.201 1.000 38.290 0 108 LYS AAA CE  1 ? 
ATOM   947  N NZ  . LYS A 1 110 ? 0.158   30.987  11.580 1.000 41.331 0 108 LYS AAA NZ  1 ? 
ATOM   948  N N   . MET A 1 111 ? -5.463  26.855  13.502 1.000 17.795 0 109 MET AAA N   1 ? 
ATOM   949  C CA  . MET A 1 111 ? -6.226  25.594  13.604 1.000 16.472 0 109 MET AAA CA  1 ? 
ATOM   950  C C   . MET A 1 111 ? -7.385  25.657  12.625 1.000 18.119 0 109 MET AAA C   1 ? 
ATOM   951  O O   . MET A 1 111 ? -7.927  26.774  12.393 1.000 19.424 0 109 MET AAA O   1 ? 
ATOM   952  C CB  . MET A 1 111 ? -6.731  25.427  15.043 1.000 17.821 0 109 MET AAA CB  1 ? 
ATOM   953  C CG  . MET A 1 111 ? -7.596  24.183  15.287 1.000 16.877 0 109 MET AAA CG  1 ? 
ATOM   954  S SD  . MET A 1 111 ? -7.939  23.961  17.011 1.000 17.999 0 109 MET AAA SD  1 ? 
ATOM   955  C CE  . MET A 1 111 ? -6.515  22.986  17.531 1.000 19.052 0 109 MET AAA CE  1 ? 
ATOM   956  N N   . TYR A 1 112 ? -7.719  24.562  11.989 1.000 16.376 0 110 TYR AAA N   1 ? 
ATOM   957  C CA  . TYR A 1 112 ? -8.874  24.389  11.074 1.000 17.013 0 110 TYR AAA CA  1 ? 
ATOM   958  C C   . TYR A 1 112 ? -10.130 24.151  11.887 1.000 18.694 0 110 TYR AAA C   1 ? 
ATOM   959  O O   . TYR A 1 112 ? -10.096 23.697  13.053 1.000 18.555 0 110 TYR AAA O   1 ? 
ATOM   960  C CB  . TYR A 1 112 ? -8.593  23.238  10.115 1.000 18.653 0 110 TYR AAA CB  1 ? 
ATOM   961  C CG  . TYR A 1 112 ? -7.330  23.337  9.307  1.000 22.905 0 110 TYR AAA CG  1 ? 
ATOM   962  C CD1 . TYR A 1 112 ? -7.261  24.195  8.220  1.000 26.924 0 110 TYR AAA CD1 1 ? 
ATOM   963  C CD2 . TYR A 1 112 ? -6.213  22.611  9.639  1.000 21.074 0 110 TYR AAA CD2 1 ? 
ATOM   964  C CE1 . TYR A 1 112 ? -6.116  24.279  7.451  1.000 29.343 0 110 TYR AAA CE1 1 ? 
ATOM   965  C CE2 . TYR A 1 112 ? -5.059  22.697  8.880  1.000 24.901 0 110 TYR AAA CE2 1 ? 
ATOM   966  C CZ  . TYR A 1 112 ? -5.007  23.556  7.810  1.000 28.989 0 110 TYR AAA CZ  1 ? 
ATOM   967  O OH  . TYR A 1 112 ? -3.874  23.642  7.051  1.000 40.032 0 110 TYR AAA OH  1 ? 
ATOM   968  N N   . ARG A 1 113 ? -11.284 24.430  11.274 1.000 21.020 0 111 ARG AAA N   1 ? 
ATOM   969  C CA  . ARG A 1 113 ? -12.578 24.078  11.899 1.000 21.721 0 111 ARG AAA CA  1 ? 
ATOM   970  C C   . ARG A 1 113 ? -12.542 22.585  12.197 1.000 20.698 0 111 ARG AAA C   1 ? 
ATOM   971  O O   . ARG A 1 113 ? -12.187 21.764  11.276 1.000 22.575 0 111 ARG AAA O   1 ? 
ATOM   972  C CB  . ARG A 1 113 ? -13.790 24.332  10.988 1.000 26.667 0 111 ARG AAA CB  1 ? 
ATOM   973  C CG  . ARG A 1 113 ? -14.062 25.791  10.690 1.000 33.708 0 111 ARG AAA CG  1 ? 
ATOM   974  C CD  . ARG A 1 113 ? -14.486 25.886  9.223  1.000 41.944 0 111 ARG AAA CD  1 ? 
ATOM   975  N NE  . ARG A 1 113 ? -15.638 26.718  8.960  1.000 46.881 0 111 ARG AAA NE  1 ? 
ATOM   976  C CZ  . ARG A 1 113 ? -15.588 27.937  8.423  1.000 48.612 0 111 ARG AAA CZ  1 ? 
ATOM   977  N NH1 . ARG A 1 113 ? -14.429 28.506  8.118  1.000 55.366 0 111 ARG AAA NH1 1 ? 
ATOM   978  N NH2 . ARG A 1 113 ? -16.709 28.586  8.194  1.000 47.277 0 111 ARG AAA NH2 1 ? 
ATOM   979  N N   . GLY A 1 114 ? -12.926 22.159  13.388 1.000 18.685 0 112 GLY AAA N   1 ? 
ATOM   980  C CA  . GLY A 1 114 ? -12.928 20.729  13.721 1.000 20.117 0 112 GLY AAA CA  1 ? 
ATOM   981  C C   . GLY A 1 114 ? -11.763 20.311  14.602 1.000 20.440 0 112 GLY AAA C   1 ? 
ATOM   982  O O   . GLY A 1 114 ? -11.831 19.249  15.183 1.000 26.458 0 112 GLY AAA O   1 ? 
ATOM   983  N N   . GLY A 1 115 ? -10.751 21.145  14.772 1.000 16.680 0 113 GLY AAA N   1 ? 
ATOM   984  C CA  . GLY A 1 115 ? -9.672  20.901  15.736 1.000 16.696 0 113 GLY AAA CA  1 ? 
ATOM   985  C C   . GLY A 1 115 ? -8.360  20.407  15.164 1.000 16.060 0 113 GLY AAA C   1 ? 
ATOM   986  O O   . GLY A 1 115 ? -7.440  20.226  15.937 1.000 14.991 0 113 GLY AAA O   1 ? 
ATOM   987  N N   . LYS A 1 116 ? -8.218  20.215  13.850 1.000 15.901 0 114 LYS AAA N   1 ? 
ATOM   988  C CA  . LYS A 1 116 ? -6.896  19.865  13.276 1.000 15.813 0 114 LYS AAA CA  1 ? 
ATOM   989  C C   . LYS A 1 116 ? -5.973  21.082  13.364 1.000 15.146 0 114 LYS AAA C   1 ? 
ATOM   990  O O   . LYS A 1 116 ? -6.337  22.204  12.902 1.000 16.906 0 114 LYS AAA O   1 ? 
ATOM   991  C CB  . LYS A 1 116 ? -7.046  19.332  11.850 1.000 17.720 0 114 LYS AAA CB  1 ? 
ATOM   992  C CG  . LYS A 1 116 ? -7.490  17.881  11.773 1.000 19.203 0 114 LYS AAA CG  1 ? 
ATOM   993  C CD  . LYS A 1 116 ? -7.876  17.385  10.384 1.000 21.217 0 114 LYS AAA CD  1 ? 
ATOM   994  C CE  . LYS A 1 116 ? -8.316  15.932  10.414 1.000 22.435 0 114 LYS AAA CE  1 ? 
ATOM   995  N NZ  . LYS A 1 116 ? -8.567  15.432  9.038  1.000 26.586 0 114 LYS AAA NZ  1 ? 
ATOM   996  N N   . ILE A 1 117 ? -4.771  20.919  13.866 1.000 16.147 0 115 ILE AAA N   1 ? 
ATOM   997  C CA  . ILE A 1 117 ? -3.779  22.010  13.969 1.000 15.146 0 115 ILE AAA CA  1 ? 
ATOM   998  C C   . ILE A 1 117 ? -3.300  22.347  12.565 1.000 16.080 0 115 ILE AAA C   1 ? 
ATOM   999  O O   . ILE A 1 117 ? -3.171  21.521  11.636 1.000 16.422 0 115 ILE AAA O   1 ? 
ATOM   1000 C CB  . ILE A 1 117 ? -2.620  21.648  14.913 1.000 16.160 0 115 ILE AAA CB  1 ? 
ATOM   1001 C CG1 . ILE A 1 117 ? -1.691  20.564  14.347 1.000 15.855 0 115 ILE AAA CG1 1 ? 
ATOM   1002 C CG2 . ILE A 1 117 ? -3.157  21.270  16.291 1.000 18.016 0 115 ILE AAA CG2 1 ? 
ATOM   1003 C CD1 . ILE A 1 117 ? -0.518  20.158  15.262 1.000 18.081 0 115 ILE AAA CD1 1 ? 
ATOM   1004 N N   . CYS A 1 118 ? -3.003  23.622  12.423 1.000 17.706 0 116 CYS AAA N   1 ? 
ATOM   1005 C CA  . CYS A 1 118 ? -2.463  24.201  11.217 1.000 19.944 0 116 CYS AAA CA  1 ? 
ATOM   1006 C C   . CYS A 1 118 ? -1.018  24.516  11.496 1.000 18.115 0 116 CYS AAA C   1 ? 
ATOM   1007 O O   . CYS A 1 118 ? -0.714  25.434  12.283 1.000 20.689 0 116 CYS AAA O   1 ? 
ATOM   1008 C CB  . CYS A 1 118 ? -3.276  25.444  10.892 1.000 21.177 0 116 CYS AAA CB  1 ? 
ATOM   1009 S SG  . CYS A 1 118 ? -2.768  26.242  9.366  1.000 27.330 0 116 CYS AAA SG  1 ? 
ATOM   1010 N N   . LEU A 1 119 ? -0.199  23.738  10.847 1.000 18.411 0 117 LEU AAA N   1 ? 
ATOM   1011 C CA  . LEU A 1 119 ? 1.275   23.854  11.011 1.000 20.852 0 117 LEU AAA CA  1 ? 
ATOM   1012 C C   . LEU A 1 119 ? 1.777   24.903  10.017 1.000 21.539 0 117 LEU AAA C   1 ? 
ATOM   1013 O O   . LEU A 1 119 ? 1.127   25.135  8.983  1.000 21.113 0 117 LEU AAA O   1 ? 
ATOM   1014 C CB  . LEU A 1 119 ? 1.913   22.495  10.768 1.000 20.326 0 117 LEU AAA CB  1 ? 
ATOM   1015 C CG  . LEU A 1 119 ? 1.501   21.366  11.731 1.000 20.141 0 117 LEU AAA CG  1 ? 
ATOM   1016 C CD1 . LEU A 1 119 ? 2.147   20.028  11.389 1.000 20.840 0 117 LEU AAA CD1 1 ? 
ATOM   1017 C CD2 . LEU A 1 119 ? 1.792   21.695  13.171 1.000 22.637 0 117 LEU AAA CD2 1 ? 
ATOM   1018 N N   . THR A 1 120 ? 2.955   25.488  10.237 1.000 20.242 0 118 THR AAA N   1 ? 
ATOM   1019 C CA  . THR A 1 120 ? 3.545   26.394  9.240  1.000 20.152 0 118 THR AAA CA  1 ? 
ATOM   1020 C C   . THR A 1 120 ? 3.878   25.572  7.997  1.000 19.637 0 118 THR AAA C   1 ? 
ATOM   1021 O O   . THR A 1 120 ? 4.011   24.320  8.027  1.000 19.179 0 118 THR AAA O   1 ? 
ATOM   1022 C CB  . THR A 1 120 ? 4.766   27.174  9.736  1.000 23.424 0 118 THR AAA CB  1 ? 
ATOM   1023 O OG1 . THR A 1 120 ? 5.847   26.236  9.690  1.000 23.851 0 118 THR AAA OG1 1 ? 
ATOM   1024 C CG2 . THR A 1 120 ? 4.577   27.783  11.095 1.000 23.956 0 118 THR AAA CG2 1 ? 
ATOM   1025 N N   . ASP A 1 121 ? 4.092   26.300  6.917  1.000 18.557 0 119 ASP AAA N   1 ? 
ATOM   1026 C CA  . ASP A 1 121 ? 4.342   25.716  5.580  1.000 19.443 0 119 ASP AAA CA  1 ? 
ATOM   1027 C C   . ASP A 1 121 ? 5.660   24.984  5.510  1.000 23.146 0 119 ASP AAA C   1 ? 
ATOM   1028 O O   . ASP A 1 121 ? 5.839   24.252  4.529  1.000 27.915 0 119 ASP AAA O   1 ? 
ATOM   1029 C CB  . ASP A 1 121 ? 4.389   26.767  4.480  1.000 22.680 0 119 ASP AAA CB  1 ? 
ATOM   1030 C CG  . ASP A 1 121 ? 3.024   27.136  3.980  1.000 24.343 0 119 ASP AAA CG  1 ? 
ATOM   1031 O OD1 . ASP A 1 121 ? 2.066   26.548  4.383  1.000 24.850 0 119 ASP AAA OD1 1 ? 
ATOM   1032 O OD2 . ASP A 1 121 ? 2.963   28.024  3.065  1.000 29.707 0 119 ASP AAA OD2 1 ? 
ATOM   1033 N N   . HIS A 1 122 ? 6.580   25.177  6.415  1.000 20.421 0 120 HIS AAA N   1 ? 
ATOM   1034 C CA  . HIS A 1 122 ? 7.864   24.455  6.382  1.000 22.803 0 120 HIS AAA CA  1 ? 
ATOM   1035 C C   . HIS A 1 122 ? 7.753   22.982  6.872  1.000 20.122 0 120 HIS AAA C   1 ? 
ATOM   1036 O O   . HIS A 1 122 ? 8.572   22.168  6.411  1.000 18.483 0 120 HIS AAA O   1 ? 
ATOM   1037 C CB  . HIS A 1 122 ? 8.921   25.282  7.107  1.000 25.588 0 120 HIS AAA CB  1 ? 
ATOM   1038 C CG  . HIS A 1 122 ? 9.457   26.369  6.229  1.000 30.658 0 120 HIS AAA CG  1 ? 
ATOM   1039 N ND1 . HIS A 1 122 ? 8.776   27.587  6.048  1.000 40.928 0 120 HIS AAA ND1 1 ? 
ATOM   1040 C CD2 . HIS A 1 122 ? 10.570  26.435  5.464  1.000 37.579 0 120 HIS AAA CD2 1 ? 
ATOM   1041 C CE1 . HIS A 1 122 ? 9.473   28.346  5.215  1.000 39.816 0 120 HIS AAA CE1 1 ? 
ATOM   1042 N NE2 . HIS A 1 122 ? 10.577  27.668  4.850  1.000 40.941 0 120 HIS AAA NE2 1 ? 
ATOM   1043 N N   . PHE A 1 123 ? 6.753   22.574  7.667  1.000 20.427 0 121 PHE AAA N   1 ? 
ATOM   1044 C CA  . PHE A 1 123 ? 6.654   21.174  8.163  1.000 19.421 0 121 PHE AAA CA  1 ? 
ATOM   1045 C C   . PHE A 1 123 ? 6.407   20.213  6.992  1.000 18.836 0 121 PHE AAA C   1 ? 
ATOM   1046 O O   . PHE A 1 123 ? 7.100   19.199  6.977  1.000 15.931 0 121 PHE AAA O   1 ? 
ATOM   1047 C CB  . PHE A 1 123 ? 5.515   21.001  9.178  1.000 19.673 0 121 PHE AAA CB  1 ? 
ATOM   1048 C CG  . PHE A 1 123 ? 5.314   19.572  9.614  1.000 19.678 0 121 PHE AAA CG  1 ? 
ATOM   1049 C CD1 . PHE A 1 123 ? 6.144   19.024  10.559 1.000 20.312 0 121 PHE AAA CD1 1 ? 
ATOM   1050 C CD2 . PHE A 1 123 ? 4.396   18.725  9.007  1.000 20.809 0 121 PHE AAA CD2 1 ? 
ATOM   1051 C CE1 . PHE A 1 123 ? 6.104   17.688  10.897 1.000 19.476 0 121 PHE AAA CE1 1 ? 
ATOM   1052 C CE2 . PHE A 1 123 ? 4.347   17.378  9.357  1.000 19.391 0 121 PHE AAA CE2 1 ? 
ATOM   1053 C CZ  . PHE A 1 123 ? 5.196   16.853  10.302 1.000 20.785 0 121 PHE AAA CZ  1 ? 
ATOM   1054 N N   . LYS A 1 124 ? 5.439   20.508  6.122  1.000 18.483 0 122 LYS AAA N   1 ? 
ATOM   1055 C CA  . LYS A 1 124 ? 5.066   19.537  5.063  1.000 18.713 0 122 LYS AAA CA  1 ? 
ATOM   1056 C C   . LYS A 1 124 ? 6.261   19.228  4.191  1.000 17.608 0 122 LYS AAA C   1 ? 
ATOM   1057 O O   . LYS A 1 124 ? 6.539   18.044  3.990  1.000 16.052 0 122 LYS AAA O   1 ? 
ATOM   1058 C CB  . LYS A 1 124 ? 3.794   19.979  4.349  1.000 21.328 0 122 LYS AAA CB  1 ? 
ATOM   1059 C CG  . LYS A 1 124 ? 2.538   19.466  5.040  1.000 24.010 0 122 LYS AAA CG  1 ? 
ATOM   1060 C CD  . LYS A 1 124 ? 1.262   19.931  4.339  1.000 24.710 0 122 LYS AAA CD  1 ? 
ATOM   1061 C CE  . LYS A 1 124 ? 0.050   19.947  5.250  1.000 34.622 0 122 LYS AAA CE  1 ? 
ATOM   1062 N N   . PRO A 1 125 ? 7.001   20.211  3.603  1.000 16.049 0 123 PRO AAA N   1 ? 
ATOM   1063 C CA  . PRO A 1 125 ? 8.113   19.864  2.748  1.000 15.590 0 123 PRO AAA CA  1 ? 
ATOM   1064 C C   . PRO A 1 125 ? 9.236   19.179  3.550  1.000 13.852 0 123 PRO AAA C   1 ? 
ATOM   1065 O O   . PRO A 1 125 ? 9.960   18.427  2.994  1.000 15.465 0 123 PRO AAA O   1 ? 
ATOM   1066 C CB  . PRO A 1 125 ? 8.584   21.188  2.105  1.000 17.630 0 123 PRO AAA CB  1 ? 
ATOM   1067 C CG  . PRO A 1 125 ? 7.283   22.006  2.131  1.000 20.807 0 123 PRO AAA CG  1 ? 
ATOM   1068 C CD  . PRO A 1 125 ? 6.611   21.642  3.437  1.000 18.726 0 123 PRO AAA CD  1 ? 
ATOM   1069 N N   . LEU A 1 126 ? 9.372   19.515  4.846  1.000 15.007 0 124 LEU AAA N   1 ? 
ATOM   1070 C CA  . LEU A 1 126 ? 10.376  18.856  5.740  1.000 14.501 0 124 LEU AAA CA  1 ? 
ATOM   1071 C C   . LEU A 1 126 ? 10.043  17.359  5.873  1.000 13.173 0 124 LEU AAA C   1 ? 
ATOM   1072 O O   . LEU A 1 126 ? 10.871  16.522  5.706  1.000 13.476 0 124 LEU AAA O   1 ? 
ATOM   1073 C CB  . LEU A 1 126 ? 10.422  19.526  7.108  1.000 15.233 0 124 LEU AAA CB  1 ? 
ATOM   1074 C CG  . LEU A 1 126 ? 11.379  18.893  8.107  1.000 16.602 0 124 LEU AAA CG  1 ? 
ATOM   1075 C CD1 . LEU A 1 126 ? 12.788  18.937  7.572  1.000 19.877 0 124 LEU AAA CD1 1 ? 
ATOM   1076 C CD2 . LEU A 1 126 ? 11.325  19.631  9.467  1.000 18.184 0 124 LEU AAA CD2 1 ? 
ATOM   1077 N N   . TRP A 1 127 ? 8.785   17.062  6.174  1.000 12.956 0 125 TRP AAA N   1 ? 
ATOM   1078 C CA  . TRP A 1 127 ? 8.317   15.650  6.194  1.000 12.724 0 125 TRP AAA CA  1 ? 
ATOM   1079 C C   . TRP A 1 127 ? 8.599   15.006  4.826  1.000 11.585 0 125 TRP AAA C   1 ? 
ATOM   1080 O O   . TRP A 1 127 ? 9.210   13.961  4.705  1.000 12.329 0 125 TRP AAA O   1 ? 
ATOM   1081 C CB  . TRP A 1 127 ? 6.850   15.600  6.528  1.000 12.608 0 125 TRP AAA CB  1 ? 
ATOM   1082 C CG  . TRP A 1 127 ? 6.311   14.201  6.593  1.000 12.122 0 125 TRP AAA CG  1 ? 
ATOM   1083 C CD1 . TRP A 1 127 ? 5.831   13.488  5.547  1.000 12.654 0 125 TRP AAA CD1 1 ? 
ATOM   1084 C CD2 . TRP A 1 127 ? 6.175   13.358  7.747  1.000 11.450 0 125 TRP AAA CD2 1 ? 
ATOM   1085 N NE1 . TRP A 1 127 ? 5.422   12.246  5.947  1.000 12.685 0 125 TRP AAA NE1 1 ? 
ATOM   1086 C CE2 . TRP A 1 127 ? 5.586   12.162  7.306  1.000 12.308 0 125 TRP AAA CE2 1 ? 
ATOM   1087 C CE3 . TRP A 1 127 ? 6.467   13.520  9.116  1.000 12.225 0 125 TRP AAA CE3 1 ? 
ATOM   1088 C CZ2 . TRP A 1 127 ? 5.294   11.106  8.175  1.000 12.970 0 125 TRP AAA CZ2 1 ? 
ATOM   1089 C CZ3 . TRP A 1 127 ? 6.129   12.484  9.958  1.000 13.109 0 125 TRP AAA CZ3 1 ? 
ATOM   1090 C CH2 . TRP A 1 127 ? 5.587   11.309  9.494  1.000 13.788 0 125 TRP AAA CH2 1 ? 
ATOM   1091 N N   . ALA A 1 128 ? 8.161   15.690  3.760  1.000 12.979 0 126 ALA AAA N   1 ? 
ATOM   1092 C CA  . ALA A 1 128 ? 8.294   15.155  2.384  1.000 13.236 0 126 ALA AAA CA  1 ? 
ATOM   1093 C C   . ALA A 1 128 ? 9.737   14.849  2.017  1.000 13.118 0 126 ALA AAA C   1 ? 
ATOM   1094 O O   . ALA A 1 128 ? 10.026  13.799  1.468  1.000 14.985 0 126 ALA AAA O   1 ? 
ATOM   1095 C CB  . ALA A 1 128 ? 7.673   16.115  1.395  1.000 14.664 0 126 ALA AAA CB  1 ? 
ATOM   1096 N N   . ARG A 1 129 ? 10.670  15.732  2.419  1.000 13.966 0 127 ARG AAA N   1 ? 
ATOM   1097 C CA  . ARG A 1 129 ? 12.105  15.564  2.066  1.000 18.116 0 127 ARG AAA CA  1 ? 
ATOM   1098 C C   . ARG A 1 129 ? 12.723  14.354  2.778  1.000 15.819 0 127 ARG AAA C   1 ? 
ATOM   1099 O O   . ARG A 1 129 ? 13.760  13.878  2.359  1.000 18.582 0 127 ARG AAA O   1 ? 
ATOM   1100 C CB  . ARG A 1 129 ? 12.857  16.868  2.405  1.000 25.010 0 127 ARG AAA CB  1 ? 
ATOM   1101 C CG  . ARG A 1 129 ? 14.377  16.840  2.584  1.000 32.366 0 127 ARG AAA CG  1 ? 
ATOM   1102 C CD  . ARG A 1 129 ? 15.005  18.167  3.058  1.000 35.185 0 127 ARG AAA CD  1 ? 
ATOM   1103 N NE  . ARG A 1 129 ? 13.996  19.090  3.564  1.000 40.660 0 127 ARG AAA NE  1 ? 
ATOM   1104 C CZ  . ARG A 1 129 ? 13.615  20.233  2.988  1.000 46.049 0 127 ARG AAA CZ  1 ? 
ATOM   1105 N NH1 . ARG A 1 129 ? 14.226  20.663  1.890  1.000 55.077 0 127 ARG AAA NH1 1 ? 
ATOM   1106 N NH2 . ARG A 1 129 ? 12.624  20.947  3.522  1.000 34.144 0 127 ARG AAA NH2 1 ? 
ATOM   1107 N N   . ASN A 1 130 ? 12.084  13.871  3.860  1.000 13.681 0 128 ASN AAA N   1 ? 
ATOM   1108 C CA  . ASN A 1 130 ? 12.633  12.796  4.708  1.000 12.879 0 128 ASN AAA CA  1 ? 
ATOM   1109 C C   . ASN A 1 130 ? 11.918  11.462  4.511  1.000 13.656 0 128 ASN AAA C   1 ? 
ATOM   1110 O O   . ASN A 1 130 ? 12.381  10.492  5.108  1.000 15.096 0 128 ASN AAA O   1 ? 
ATOM   1111 C CB  . ASN A 1 130 ? 12.648  13.264  6.158  1.000 13.586 0 128 ASN AAA CB  1 ? 
ATOM   1112 C CG  . ASN A 1 130 ? 13.821  14.195  6.403  1.000 14.981 0 128 ASN AAA CG  1 ? 
ATOM   1113 O OD1 . ASN A 1 130 ? 14.967  13.733  6.481  1.000 16.273 0 128 ASN AAA OD1 1 ? 
ATOM   1114 N ND2 . ASN A 1 130 ? 13.556  15.470  6.455  1.000 14.495 0 128 ASN AAA ND2 1 ? 
ATOM   1115 N N   . VAL A 1 131 ? 10.897  11.370  3.670  1.000 13.198 0 129 VAL AAA N   1 ? 
ATOM   1116 C CA  . VAL A 1 131 ? 10.103  10.126  3.545  1.000 13.538 0 129 VAL AAA CA  1 ? 
ATOM   1117 C C   . VAL A 1 131 ? 11.016  8.996   3.131  1.000 13.264 0 129 VAL AAA C   1 ? 
ATOM   1118 O O   . VAL A 1 131 ? 11.884  9.186   2.250  1.000 14.987 0 129 VAL AAA O   1 ? 
ATOM   1119 C CB  . VAL A 1 131 ? 8.995   10.308  2.520  1.000 13.320 0 129 VAL AAA CB  1 ? 
ATOM   1120 C CG1 . VAL A 1 131 ? 8.403   8.976   2.029  1.000 14.876 0 129 VAL AAA CG1 1 ? 
ATOM   1121 C CG2 . VAL A 1 131 ? 7.938   11.203  3.064  1.000 13.806 0 129 VAL AAA CG2 1 ? 
ATOM   1122 N N   . PRO A 1 132 ? 10.912  7.763   3.668  1.000 12.542 0 130 PRO AAA N   1 ? 
ATOM   1123 C CA  . PRO A 1 132 ? 9.957   7.315   4.709  1.000 11.973 0 130 PRO AAA CA  1 ? 
ATOM   1124 C C   . PRO A 1 132 ? 10.581  7.266   6.112  1.000 11.658 0 130 PRO AAA C   1 ? 
ATOM   1125 O O   . PRO A 1 132 ? 10.124  6.500   6.979  1.000 12.414 0 130 PRO AAA O   1 ? 
ATOM   1126 C CB  . PRO A 1 132 ? 9.660   5.899   4.175  1.000 13.203 0 130 PRO AAA CB  1 ? 
ATOM   1127 C CG  . PRO A 1 132 ? 11.054  5.424   3.804  1.000 13.273 0 130 PRO AAA CG  1 ? 
ATOM   1128 C CD  . PRO A 1 132 ? 11.694  6.624   3.126  1.000 13.544 0 130 PRO AAA CD  1 ? 
ATOM   1129 N N   . LYS A 1 133 ? 11.631  8.056   6.317  1.000 12.376 0 131 LYS AAA N   1 ? 
ATOM   1130 C CA  . LYS A 1 133 ? 12.450  7.953   7.540  1.000 11.940 0 131 LYS AAA CA  1 ? 
ATOM   1131 C C   . LYS A 1 133 ? 11.714  8.503   8.746  1.000 11.306 0 131 LYS AAA C   1 ? 
ATOM   1132 O O   . LYS A 1 133 ? 12.051  8.040   9.868  1.000 12.628 0 131 LYS AAA O   1 ? 
ATOM   1133 C CB  . LYS A 1 133 ? 13.762  8.713   7.344  1.000 13.356 0 131 LYS AAA CB  1 ? 
ATOM   1134 C CG  . LYS A 1 133 ? 14.660  8.047   6.305  1.000 14.377 0 131 LYS AAA CG  1 ? 
ATOM   1135 C CD  . LYS A 1 133 ? 16.015  8.728   6.027  1.000 18.518 0 131 LYS AAA CD  1 ? 
ATOM   1136 C CE  . LYS A 1 133 ? 15.836  10.043  5.324  1.000 19.785 0 131 LYS AAA CE  1 ? 
ATOM   1137 N NZ  . LYS A 1 133 ? 17.097  10.496  4.665  1.000 21.366 0 131 LYS AAA NZ  1 ? 
ATOM   1138 N N   . PHE A 1 134 ? 10.846  9.467   8.590  1.000 11.114 0 132 PHE AAA N   1 ? 
ATOM   1139 C CA  . PHE A 1 134 ? 10.122  10.047  9.758  1.000 11.339 0 132 PHE AAA CA  1 ? 
ATOM   1140 C C   . PHE A 1 134 ? 8.835   9.304   9.985  1.000 9.853  0 132 PHE AAA C   1 ? 
ATOM   1141 O O   . PHE A 1 134 ? 8.168   8.796   9.053  1.000 11.161 0 132 PHE AAA O   1 ? 
ATOM   1142 C CB  . PHE A 1 134 ? 9.831   11.533  9.511  1.000 12.197 0 132 PHE AAA CB  1 ? 
ATOM   1143 C CG  . PHE A 1 134 ? 11.023  12.453  9.579  1.000 12.897 0 132 PHE AAA CG  1 ? 
ATOM   1144 C CD1 . PHE A 1 134 ? 12.291  11.988  9.803  1.000 13.991 0 132 PHE AAA CD1 1 ? 
ATOM   1145 C CD2 . PHE A 1 134 ? 10.860  13.825  9.385  1.000 15.074 0 132 PHE AAA CD2 1 ? 
ATOM   1146 C CE1 . PHE A 1 134 ? 13.386  12.864  9.866  1.000 15.704 0 132 PHE AAA CE1 1 ? 
ATOM   1147 C CE2 . PHE A 1 134 ? 11.972  14.663  9.454  1.000 15.241 0 132 PHE AAA CE2 1 ? 
ATOM   1148 C CZ  . PHE A 1 134 ? 13.194  14.182  9.703  1.000 16.811 0 132 PHE AAA CZ  1 ? 
ATOM   1149 N N   . GLY A 1 135 ? 8.477   9.211   11.271 1.000 10.426 0 133 GLY AAA N   1 ? 
ATOM   1150 C CA  . GLY A 1 135 ? 7.214   8.582   11.700 1.000 10.456 0 133 GLY AAA CA  1 ? 
ATOM   1151 C C   . GLY A 1 135 ? 6.523   9.392   12.769 1.000 10.360 0 133 GLY AAA C   1 ? 
ATOM   1152 O O   . GLY A 1 135 ? 6.727   10.635  12.864 1.000 10.760 0 133 GLY AAA O   1 ? 
ATOM   1153 N N   . LEU A 1 136 ? 5.703   8.721   13.553 1.000 10.466 0 134 LEU AAA N   1 ? 
ATOM   1154 C CA  . LEU A 1 136 ? 4.867   9.425   14.541 1.000 10.417 0 134 LEU AAA CA  1 ? 
ATOM   1155 C C   . LEU A 1 136 ? 5.726   10.151  15.595 1.000 10.720 0 134 LEU AAA C   1 ? 
ATOM   1156 O O   . LEU A 1 136 ? 5.331   11.247  16.022 1.000 10.921 0 134 LEU AAA O   1 ? 
ATOM   1157 C CB  . LEU A 1 136 ? 3.893   8.435   15.163 1.000 10.341 0 134 LEU AAA CB  1 ? 
ATOM   1158 C CG  . LEU A 1 136 ? 2.950   7.763   14.166 1.000 11.175 0 134 LEU AAA CG  1 ? 
ATOM   1159 C CD1 . LEU A 1 136 ? 1.964   6.887   14.942 1.000 12.052 0 134 LEU AAA CD1 1 ? 
ATOM   1160 C CD2 . LEU A 1 136 ? 2.220   8.749   13.264 1.000 11.658 0 134 LEU AAA CD2 1 ? 
ATOM   1161 N N   . ALA A 1 137 ? 6.838   9.585   16.020 1.000 9.878  0 135 ALA AAA N   1 ? 
ATOM   1162 C CA  . ALA A 1 137 ? 7.707   10.311  16.967 1.000 10.379 0 135 ALA AAA CA  1 ? 
ATOM   1163 C C   . ALA A 1 137 ? 8.131   11.642  16.363 1.000 11.002 0 135 ALA AAA C   1 ? 
ATOM   1164 O O   . ALA A 1 137 ? 8.144   12.681  17.054 1.000 11.089 0 135 ALA AAA O   1 ? 
ATOM   1165 C CB  . ALA A 1 137 ? 8.925   9.464   17.278 1.000 11.046 0 135 ALA AAA CB  1 ? 
ATOM   1166 N N   . HIS A 1 138 ? 8.509   11.645  15.086 1.000 10.872 0 136 HIS AAA N   1 ? 
ATOM   1167 C CA  . HIS A 1 138 ? 8.938   12.879  14.399 1.000 11.026 0 136 HIS AAA CA  1 ? 
ATOM   1168 C C   . HIS A 1 138 ? 7.760   13.839  14.204 1.000 11.597 0 136 HIS AAA C   1 ? 
ATOM   1169 O O   . HIS A 1 138 ? 7.960   15.078  14.284 1.000 12.100 0 136 HIS AAA O   1 ? 
ATOM   1170 C CB  . HIS A 1 138 ? 9.576   12.509  13.067 1.000 11.059 0 136 HIS AAA CB  1 ? 
ATOM   1171 C CG  . HIS A 1 138 ? 10.705  11.579  13.161 1.000 11.267 0 136 HIS AAA CG  1 ? 
ATOM   1172 N ND1 . HIS A 1 138 ? 10.502  10.197  13.212 1.000 11.963 0 136 HIS AAA ND1 1 ? 
ATOM   1173 C CD2 . HIS A 1 138 ? 12.056  11.809  13.161 1.000 12.266 0 136 HIS AAA CD2 1 ? 
ATOM   1174 C CE1 . HIS A 1 138 ? 11.711  9.644   13.281 1.000 12.182 0 136 HIS AAA CE1 1 ? 
ATOM   1175 N NE2 . HIS A 1 138 ? 12.685  10.602  13.228 1.000 12.781 0 136 HIS AAA NE2 1 ? 
ATOM   1176 N N   . LEU A 1 139 ? 6.567   13.337  13.920 1.000 11.461 0 137 LEU AAA N   1 ? 
ATOM   1177 C CA  . LEU A 1 139 ? 5.379   14.169  13.853 1.000 11.581 0 137 LEU AAA CA  1 ? 
ATOM   1178 C C   . LEU A 1 139 ? 5.156   14.930  15.147 1.000 11.721 0 137 LEU AAA C   1 ? 
ATOM   1179 O O   . LEU A 1 139 ? 4.826   16.125  15.130 1.000 12.376 0 137 LEU AAA O   1 ? 
ATOM   1180 C CB  . LEU A 1 139 ? 4.183   13.264  13.527 1.000 12.368 0 137 LEU AAA CB  1 ? 
ATOM   1181 C CG  . LEU A 1 139 ? 2.837   13.948  13.505 1.000 14.580 0 137 LEU AAA CG  1 ? 
ATOM   1182 C CD1 . LEU A 1 139 ? 2.748   14.944  12.366 1.000 17.027 0 137 LEU AAA CD1 1 ? 
ATOM   1183 C CD2 . LEU A 1 139 ? 1.730   12.893  13.469 1.000 14.959 0 137 LEU AAA CD2 1 ? 
ATOM   1184 N N   . MET A 1 140 ? 5.342   14.247  16.284 1.000 10.721 0 138 MET AAA N   1 ? 
ATOM   1185 C CA  . MET A 1 140 ? 5.217   14.890  17.599 1.000 11.037 0 138 MET AAA CA  1 ? 
ATOM   1186 C C   . MET A 1 140 ? 6.357   15.911  17.778 1.000 10.888 0 138 MET AAA C   1 ? 
ATOM   1187 O O   . MET A 1 140 ? 6.071   17.061  18.186 1.000 11.623 0 138 MET AAA O   1 ? 
ATOM   1188 C CB  . MET A 1 140 ? 5.214   13.796  18.671 1.000 11.174 0 138 MET AAA CB  1 ? 
ATOM   1189 C CG  . MET A 1 140 ? 4.021   12.895  18.613 1.000 12.028 0 138 MET AAA CG  1 ? 
ATOM   1190 S SD  . MET A 1 140 ? 2.423   13.696  18.955 1.000 12.396 0 138 MET AAA SD  1 ? 
ATOM   1191 C CE  . MET A 1 140 ? 2.506   13.772  20.740 1.000 12.997 0 138 MET AAA CE  1 ? 
ATOM   1192 N N   . ALA A 1 141 ? 7.583   15.516  17.537 1.000 10.436 0 139 ALA AAA N   1 ? 
ATOM   1193 C CA  . ALA A 1 141 ? 8.757   16.360  17.854 1.000 11.255 0 139 ALA AAA CA  1 ? 
ATOM   1194 C C   . ALA A 1 141 ? 8.793   17.597  16.958 1.000 11.620 0 139 ALA AAA C   1 ? 
ATOM   1195 O O   . ALA A 1 141 ? 9.246   18.684  17.418 1.000 12.427 0 139 ALA AAA O   1 ? 
ATOM   1196 C CB  . ALA A 1 141 ? 10.008  15.562  17.716 1.000 11.472 0 139 ALA AAA CB  1 ? 
ATOM   1197 N N   . LEU A 1 142 ? 8.485   17.477  15.673 1.000 11.899 0 140 LEU AAA N   1 ? 
ATOM   1198 C CA  . LEU A 1 142 ? 8.653   18.554  14.651 1.000 12.726 0 140 LEU AAA CA  1 ? 
ATOM   1199 C C   . LEU A 1 142 ? 7.324   19.228  14.324 1.000 12.917 0 140 LEU AAA C   1 ? 
ATOM   1200 O O   . LEU A 1 142 ? 7.351   20.381  13.788 1.000 13.987 0 140 LEU AAA O   1 ? 
ATOM   1201 C CB  . LEU A 1 142 ? 9.268   17.954  13.399 1.000 12.620 0 140 LEU AAA CB  1 ? 
ATOM   1202 C CG  . LEU A 1 142 ? 10.689  17.427  13.504 1.000 13.313 0 140 LEU AAA CG  1 ? 
ATOM   1203 C CD1 . LEU A 1 142 ? 11.044  16.660  12.260 1.000 14.091 0 140 LEU AAA CD1 1 ? 
ATOM   1204 C CD2 . LEU A 1 142 ? 11.670  18.546  13.752 1.000 14.948 0 140 LEU AAA CD2 1 ? 
ATOM   1205 N N   . GLY A 1 143 ? 6.195   18.608  14.605 1.000 12.810 0 141 GLY AAA N   1 ? 
ATOM   1206 C CA  . GLY A 1 143 ? 4.898   19.168  14.218 1.000 12.749 0 141 GLY AAA CA  1 ? 
ATOM   1207 C C   . GLY A 1 143 ? 4.169   19.671  15.433 1.000 12.862 0 141 GLY AAA C   1 ? 
ATOM   1208 O O   . GLY A 1 143 ? 4.082   20.901  15.631 1.000 13.805 0 141 GLY AAA O   1 ? 
ATOM   1209 N N   . LEU A 1 144 ? 3.657   18.821  16.311 1.000 11.713 0 142 LEU AAA N   1 ? 
ATOM   1210 C CA  . LEU A 1 144 ? 2.858   19.291  17.462 1.000 11.917 0 142 LEU AAA CA  1 ? 
ATOM   1211 C C   . LEU A 1 144 ? 3.722   20.082  18.436 1.000 12.160 0 142 LEU AAA C   1 ? 
ATOM   1212 O O   . LEU A 1 144 ? 3.190   21.052  19.011 1.000 13.327 0 142 LEU AAA O   1 ? 
ATOM   1213 C CB  . LEU A 1 144 ? 2.173   18.093  18.126 1.000 11.943 0 142 LEU AAA CB  1 ? 
ATOM   1214 C CG  . LEU A 1 144 ? 1.352   18.406  19.375 1.000 12.495 0 142 LEU AAA CG  1 ? 
ATOM   1215 C CD1 . LEU A 1 144 ? 0.205   19.367  19.093 1.000 12.757 0 142 LEU AAA CD1 1 ? 
ATOM   1216 C CD2 . LEU A 1 144 ? 0.821   17.129  20.005 1.000 13.001 0 142 LEU AAA CD2 1 ? 
ATOM   1217 N N   . GLY A 1 145 ? 4.936   19.656  18.743 1.000 12.627 0 143 GLY AAA N   1 ? 
ATOM   1218 C CA  . GLY A 1 145 ? 5.729   20.321  19.786 1.000 12.949 0 143 GLY AAA CA  1 ? 
ATOM   1219 C C   . GLY A 1 145 ? 5.863   21.805  19.497 1.000 14.020 0 143 GLY AAA C   1 ? 
ATOM   1220 O O   . GLY A 1 145 ? 5.586   22.641  20.388 1.000 14.407 0 143 GLY AAA O   1 ? 
ATOM   1221 N N   . PRO A 1 146 ? 6.379   22.173  18.342 1.000 13.655 0 144 PRO AAA N   1 ? 
ATOM   1222 C CA  . PRO A 1 146 ? 6.545   23.598  18.025 1.000 14.776 0 144 PRO AAA CA  1 ? 
ATOM   1223 C C   . PRO A 1 146 ? 5.219   24.344  17.939 1.000 14.879 0 144 PRO AAA C   1 ? 
ATOM   1224 O O   . PRO A 1 146 ? 5.198   25.579  18.226 1.000 15.667 0 144 PRO AAA O   1 ? 
ATOM   1225 C CB  . PRO A 1 146 ? 7.272   23.635  16.660 1.000 17.575 0 144 PRO AAA CB  1 ? 
ATOM   1226 C CG  . PRO A 1 146 ? 7.974   22.288  16.621 1.000 19.324 0 144 PRO AAA CG  1 ? 
ATOM   1227 C CD  . PRO A 1 146 ? 7.051   21.312  17.346 1.000 15.965 0 144 PRO AAA CD  1 ? 
ATOM   1228 N N   . TRP A 1 147 ? 4.159   23.693  17.496 1.000 13.058 0 145 TRP AAA N   1 ? 
ATOM   1229 C CA  . TRP A 1 147 ? 2.815   24.311  17.434 1.000 13.180 0 145 TRP AAA CA  1 ? 
ATOM   1230 C C   . TRP A 1 147 ? 2.404   24.711  18.852 1.000 13.395 0 145 TRP AAA C   1 ? 
ATOM   1231 O O   . TRP A 1 147 ? 1.981   25.857  19.064 1.000 12.946 0 145 TRP AAA O   1 ? 
ATOM   1232 C CB  . TRP A 1 147 ? 1.823   23.339  16.821 1.000 13.511 0 145 TRP AAA CB  1 ? 
ATOM   1233 C CG  . TRP A 1 147 ? 0.461   23.950  16.595 1.000 13.654 0 145 TRP AAA CG  1 ? 
ATOM   1234 C CD1 . TRP A 1 147 ? 0.051   24.633  15.483 1.000 14.069 0 145 TRP AAA CD1 1 ? 
ATOM   1235 C CD2 . TRP A 1 147 ? -0.640  23.939  17.520 1.000 13.585 0 145 TRP AAA CD2 1 ? 
ATOM   1236 N NE1 . TRP A 1 147 ? -1.252  25.036  15.639 1.000 14.801 0 145 TRP AAA NE1 1 ? 
ATOM   1237 C CE2 . TRP A 1 147 ? -1.700  24.627  16.874 1.000 14.205 0 145 TRP AAA CE2 1 ? 
ATOM   1238 C CE3 . TRP A 1 147 ? -0.831  23.434  18.804 1.000 13.911 0 145 TRP AAA CE3 1 ? 
ATOM   1239 C CZ2 . TRP A 1 147 ? -2.933  24.816  17.489 1.000 15.696 0 145 TRP AAA CZ2 1 ? 
ATOM   1240 C CZ3 . TRP A 1 147 ? -2.067  23.593  19.411 1.000 14.978 0 145 TRP AAA CZ3 1 ? 
ATOM   1241 C CH2 . TRP A 1 147 ? -3.092  24.302  18.754 1.000 15.420 0 145 TRP AAA CH2 1 ? 
ATOM   1242 N N   . LEU A 1 148 ? 2.532   23.814  19.827 1.000 11.950 0 146 LEU AAA N   1 ? 
ATOM   1243 C CA  . LEU A 1 148 ? 2.166   24.112  21.217 1.000 12.193 0 146 LEU AAA CA  1 ? 
ATOM   1244 C C   . LEU A 1 148 ? 2.974   25.308  21.739 1.000 11.842 0 146 LEU AAA C   1 ? 
ATOM   1245 O O   . LEU A 1 148 ? 2.437   26.132  22.485 1.000 13.012 0 146 LEU AAA O   1 ? 
ATOM   1246 C CB  . LEU A 1 148 ? 2.387   22.912  22.139 1.000 12.270 0 146 LEU AAA CB  1 ? 
ATOM   1247 C CG  . LEU A 1 148 ? 1.475   21.707  21.910 1.000 12.374 0 146 LEU AAA CG  1 ? 
ATOM   1248 C CD1 . LEU A 1 148 ? 1.975   20.524  22.679 1.000 14.126 0 146 LEU AAA CD1 1 ? 
ATOM   1249 C CD2 . LEU A 1 148 ? 0.021   21.973  22.252 1.000 13.409 0 146 LEU AAA CD2 1 ? 
ATOM   1250 N N   . ALA A 1 149 ? 4.258   25.365  21.401 1.000 12.512 0 147 ALA AAA N   1 ? 
ATOM   1251 C CA  . ALA A 1 149 ? 5.192   26.369  21.947 1.000 12.657 0 147 ALA AAA CA  1 ? 
ATOM   1252 C C   . ALA A 1 149 ? 4.897   27.758  21.416 1.000 12.541 0 147 ALA AAA C   1 ? 
ATOM   1253 O O   . ALA A 1 149 ? 5.439   28.734  22.009 1.000 13.019 0 147 ALA AAA O   1 ? 
ATOM   1254 C CB  . ALA A 1 149 ? 6.621   25.933  21.710 1.000 14.195 0 147 ALA AAA CB  1 ? 
ATOM   1255 N N   . VAL A 1 150 ? 4.054   27.904  20.398 1.000 13.257 0 148 VAL AAA N   1 ? 
ATOM   1256 C CA  . VAL A 1 150 ? 3.535   29.230  19.963 1.000 13.548 0 148 VAL AAA CA  1 ? 
ATOM   1257 C C   . VAL A 1 150 ? 2.119   29.404  20.447 1.000 15.058 0 148 VAL AAA C   1 ? 
ATOM   1258 O O   . VAL A 1 150 ? 1.751   30.452  21.054 1.000 15.392 0 148 VAL AAA O   1 ? 
ATOM   1259 C CB  . VAL A 1 150 ? 3.646   29.377  18.439 1.000 13.138 0 148 VAL AAA CB  1 ? 
ATOM   1260 C CG1 . VAL A 1 150 ? 2.973   30.654  17.967 1.000 13.696 0 148 VAL AAA CG1 1 ? 
ATOM   1261 C CG2 . VAL A 1 150 ? 5.109   29.341  17.949 1.000 14.038 0 148 VAL AAA CG2 1 ? 
ATOM   1262 N N   A GLU A 1 151 ? 1.265   28.435  20.192 0.500 13.626 0 149 GLU AAA N   1 ? 
ATOM   1263 N N   B GLU A 1 151 ? 1.263   28.437  20.174 0.500 13.853 0 149 GLU AAA N   1 ? 
ATOM   1264 C CA  A GLU A 1 151 ? -0.196  28.624  20.366 0.500 14.153 0 149 GLU AAA CA  1 ? 
ATOM   1265 C CA  B GLU A 1 151 ? -0.198  28.602  20.378 0.500 14.688 0 149 GLU AAA CA  1 ? 
ATOM   1266 C C   A GLU A 1 151 ? -0.597  28.583  21.837 0.500 15.032 0 149 GLU AAA C   1 ? 
ATOM   1267 C C   B GLU A 1 151 ? -0.568  28.611  21.854 0.500 15.319 0 149 GLU AAA C   1 ? 
ATOM   1268 O O   A GLU A 1 151 ? -1.531  29.378  22.217 0.500 16.944 0 149 GLU AAA O   1 ? 
ATOM   1269 O O   B GLU A 1 151 ? -1.473  29.429  22.248 0.500 17.211 0 149 GLU AAA O   1 ? 
ATOM   1270 C CB  A GLU A 1 151 ? -0.973  27.648  19.489 0.500 14.941 0 149 GLU AAA CB  1 ? 
ATOM   1271 C CB  B GLU A 1 151 ? -1.014  27.528  19.669 0.500 16.297 0 149 GLU AAA CB  1 ? 
ATOM   1272 C CG  A GLU A 1 151 ? -0.703  27.843  18.018 0.500 15.470 0 149 GLU AAA CG  1 ? 
ATOM   1273 C CG  B GLU A 1 151 ? -2.503  27.760  19.822 0.500 17.824 0 149 GLU AAA CG  1 ? 
ATOM   1274 C CD  A GLU A 1 151 ? -0.807  29.277  17.501 0.500 16.211 0 149 GLU AAA CD  1 ? 
ATOM   1275 C CD  B GLU A 1 151 ? -3.003  28.924  18.979 0.500 20.162 0 149 GLU AAA CD  1 ? 
ATOM   1276 O OE1 A GLU A 1 151 ? -1.580  30.074  18.076 0.500 22.253 0 149 GLU AAA OE1 1 ? 
ATOM   1277 O OE1 B GLU A 1 151 ? -2.687  28.916  17.767 0.500 22.038 0 149 GLU AAA OE1 1 ? 
ATOM   1278 O OE2 A GLU A 1 151 ? -0.060  29.621  16.614 0.500 17.086 0 149 GLU AAA OE2 1 ? 
ATOM   1279 O OE2 B GLU A 1 151 ? -3.695  29.893  19.539 0.500 19.443 0 149 GLU AAA OE2 1 ? 
ATOM   1280 N N   . ILE A 1 152 ? -0.033  27.734  22.693 1.000 14.885 0 150 ILE AAA N   1 ? 
ATOM   1281 C CA  . ILE A 1 152 ? -0.508  27.645  24.092 1.000 14.686 0 150 ILE AAA CA  1 ? 
ATOM   1282 C C   . ILE A 1 152 ? -0.158  28.937  24.840 1.000 15.407 0 150 ILE AAA C   1 ? 
ATOM   1283 O O   . ILE A 1 152 ? -1.050  29.506  25.517 1.000 15.364 0 150 ILE AAA O   1 ? 
ATOM   1284 C CB  . ILE A 1 152 ? -0.120  26.343  24.796 1.000 14.011 0 150 ILE AAA CB  1 ? 
ATOM   1285 C CG1 . ILE A 1 152 ? -0.550  25.135  23.933 1.000 14.566 0 150 ILE AAA CG1 1 ? 
ATOM   1286 C CG2 . ILE A 1 152 ? -0.670  26.320  26.201 1.000 14.585 0 150 ILE AAA CG2 1 ? 
ATOM   1287 C CD1 . ILE A 1 152 ? -2.010  25.074  23.585 1.000 14.989 0 150 ILE AAA CD1 1 ? 
ATOM   1288 N N   . PRO A 1 153 ? 1.085   29.473  24.779 1.000 14.823 0 151 PRO AAA N   1 ? 
ATOM   1289 C CA  . PRO A 1 153 ? 1.341   30.770  25.420 1.000 16.748 0 151 PRO AAA CA  1 ? 
ATOM   1290 C C   . PRO A 1 153 ? 0.396   31.855  24.891 1.000 16.023 0 151 PRO AAA C   1 ? 
ATOM   1291 O O   . PRO A 1 153 ? -0.004  32.677  25.780 1.000 19.402 0 151 PRO AAA O   1 ? 
ATOM   1292 C CB  . PRO A 1 153 ? 2.809   31.052  25.043 1.000 17.129 0 151 PRO AAA CB  1 ? 
ATOM   1293 C CG  . PRO A 1 153 ? 3.414   29.660  24.884 1.000 15.738 0 151 PRO AAA CG  1 ? 
ATOM   1294 C CD  . PRO A 1 153 ? 2.312   28.830  24.243 1.000 15.202 0 151 PRO AAA CD  1 ? 
ATOM   1295 N N   . ASP A 1 154 ? 0.090   31.911  23.621 1.000 17.503 0 152 ASP AAA N   1 ? 
ATOM   1296 C CA  . ASP A 1 154 ? -0.837  32.923  23.038 1.000 19.014 0 152 ASP AAA CA  1 ? 
ATOM   1297 C C   . ASP A 1 154 ? -2.197  32.789  23.711 1.000 22.328 0 152 ASP AAA C   1 ? 
ATOM   1298 O O   . ASP A 1 154 ? -2.758  33.810  24.174 1.000 22.120 0 152 ASP AAA O   1 ? 
ATOM   1299 C CB  . ASP A 1 154 ? -0.904  32.787  21.512 1.000 21.073 0 152 ASP AAA CB  1 ? 
ATOM   1300 C CG  . ASP A 1 154 ? -1.662  33.901  20.791 1.000 23.922 0 152 ASP AAA CG  1 ? 
ATOM   1301 O OD1 . ASP A 1 154 ? -1.434  35.034  21.155 1.000 29.437 0 152 ASP AAA OD1 1 ? 
ATOM   1302 O OD2 . ASP A 1 154 ? -2.446  33.578  19.880 1.000 29.218 0 152 ASP AAA OD2 1 ? 
ATOM   1303 N N   . LEU A 1 155 ? -2.746  31.594  23.808 1.000 18.667 0 153 LEU AAA N   1 ? 
ATOM   1304 C CA  . LEU A 1 155 ? -4.082  31.386  24.404 1.000 19.440 0 153 LEU AAA CA  1 ? 
ATOM   1305 C C   . LEU A 1 155 ? -4.075  31.705  25.889 1.000 18.641 0 153 LEU AAA C   1 ? 
ATOM   1306 O O   . LEU A 1 155 ? -5.119  32.233  26.408 1.000 19.561 0 153 LEU AAA O   1 ? 
ATOM   1307 C CB  . LEU A 1 155 ? -4.523  29.941  24.160 1.000 19.424 0 153 LEU AAA CB  1 ? 
ATOM   1308 C CG  . LEU A 1 155 ? -4.791  29.608  22.706 1.000 20.950 0 153 LEU AAA CG  1 ? 
ATOM   1309 C CD1 . LEU A 1 155 ? -5.084  28.127  22.547 1.000 24.977 0 153 LEU AAA CD1 1 ? 
ATOM   1310 C CD2 . LEU A 1 155 ? -5.970  30.414  22.154 1.000 24.631 0 153 LEU AAA CD2 1 ? 
ATOM   1311 N N   . ILE A 1 156 ? -3.030  31.395  26.628 1.000 17.905 0 154 ILE AAA N   1 ? 
ATOM   1312 C CA  . ILE A 1 156 ? -2.969  31.724  28.078 1.000 18.621 0 154 ILE AAA CA  1 ? 
ATOM   1313 C C   . ILE A 1 156 ? -2.906  33.262  28.234 1.000 21.345 0 154 ILE AAA C   1 ? 
ATOM   1314 O O   . ILE A 1 156 ? -3.710  33.848  29.033 1.000 22.582 0 154 ILE AAA O   1 ? 
ATOM   1315 C CB  . ILE A 1 156 ? -1.776  31.032  28.771 1.000 19.768 0 154 ILE AAA CB  1 ? 
ATOM   1316 C CG1 . ILE A 1 156 ? -1.912  29.496  28.778 1.000 18.194 0 154 ILE AAA CG1 1 ? 
ATOM   1317 C CG2 . ILE A 1 156 ? -1.566  31.641  30.161 1.000 20.203 0 154 ILE AAA CG2 1 ? 
ATOM   1318 C CD1 . ILE A 1 156 ? -0.625  28.769  29.045 1.000 18.085 0 154 ILE AAA CD1 1 ? 
ATOM   1319 N N   . GLN A 1 157 ? -2.096  33.947  27.455 1.000 21.268 0 155 GLN AAA N   1 ? 
ATOM   1320 C CA  . GLN A 1 157 ? -1.952  35.439  27.524 1.000 24.164 0 155 GLN AAA CA  1 ? 
ATOM   1321 C C   . GLN A 1 157 ? -3.325  36.081  27.257 1.000 25.044 0 155 GLN AAA C   1 ? 
ATOM   1322 O O   . GLN A 1 157 ? -3.685  37.059  28.005 1.000 26.780 0 155 GLN AAA O   1 ? 
ATOM   1323 C CB  . GLN A 1 157 ? -0.916  35.934  26.510 1.000 24.324 0 155 GLN AAA CB  1 ? 
ATOM   1324 C CG  . GLN A 1 157 ? -0.623  37.438  26.620 1.000 28.015 0 155 GLN AAA CG  1 ? 
ATOM   1325 C CD  . GLN A 1 157 ? -1.507  38.360  25.827 1.000 26.479 0 155 GLN AAA CD  1 ? 
ATOM   1326 O OE1 . GLN A 1 157 ? -1.809  39.479  26.293 1.000 37.632 0 155 GLN AAA OE1 1 ? 
ATOM   1327 N NE2 . GLN A 1 157 ? -1.864  37.998  24.609 1.000 28.135 0 155 GLN AAA NE2 1 ? 
ATOM   1328 N N   . LYS A 1 158 ? -4.018  35.634  26.213 1.000 23.523 0 156 LYS AAA N   1 ? 
ATOM   1329 C CA  . LYS A 1 158 ? -5.309  36.179  25.699 1.000 23.616 0 156 LYS AAA CA  1 ? 
ATOM   1330 C C   . LYS A 1 158 ? -6.449  35.820  26.665 1.000 25.555 0 156 LYS AAA C   1 ? 
ATOM   1331 O O   . LYS A 1 158 ? -7.592  36.307  26.404 1.000 28.262 0 156 LYS AAA O   1 ? 
ATOM   1332 C CB  . LYS A 1 158 ? -5.621  35.661  24.299 1.000 25.167 0 156 LYS AAA CB  1 ? 
ATOM   1333 C CG  . LYS A 1 158 ? -4.804  36.271  23.183 1.000 29.225 0 156 LYS AAA CG  1 ? 
ATOM   1334 C CD  . LYS A 1 158 ? -5.123  35.724  21.817 1.000 36.235 0 156 LYS AAA CD  1 ? 
ATOM   1335 C CE  . LYS A 1 158 ? -4.824  36.706  20.705 1.000 39.465 0 156 LYS AAA CE  1 ? 
ATOM   1336 N NZ  . LYS A 1 158 ? -3.374  36.897  20.504 1.000 42.324 0 156 LYS AAA NZ  1 ? 
ATOM   1337 N N   . GLY A 1 159 ? -6.233  34.951  27.643 1.000 23.706 0 157 GLY AAA N   1 ? 
ATOM   1338 C CA  . GLY A 1 159 ? -7.257  34.513  28.612 1.000 23.445 0 157 GLY AAA CA  1 ? 
ATOM   1339 C C   . GLY A 1 159 ? -8.283  33.583  27.972 1.000 26.430 0 157 GLY AAA C   1 ? 
ATOM   1340 O O   . GLY A 1 159 ? -9.459  33.555  28.420 1.000 27.495 0 157 GLY AAA O   1 ? 
ATOM   1341 N N   . VAL A 1 160 ? -7.924  32.887  26.899 1.000 24.842 0 158 VAL AAA N   1 ? 
ATOM   1342 C CA  . VAL A 1 160 ? -8.873  31.997  26.155 1.000 28.143 0 158 VAL AAA CA  1 ? 
ATOM   1343 C C   . VAL A 1 160 ? -8.953  30.654  26.866 1.000 29.427 0 158 VAL AAA C   1 ? 
ATOM   1344 O O   . VAL A 1 160 ? -10.029 30.024  26.802 1.000 30.140 0 158 VAL AAA O   1 ? 
ATOM   1345 C CB  . VAL A 1 160 ? -8.423  31.858  24.692 1.000 27.271 0 158 VAL AAA CB  1 ? 
ATOM   1346 C CG1 . VAL A 1 160 ? -9.247  30.847  23.894 1.000 29.981 0 158 VAL AAA CG1 1 ? 
ATOM   1347 C CG2 . VAL A 1 160 ? -8.438  33.204  24.006 1.000 31.214 0 158 VAL AAA CG2 1 ? 
ATOM   1348 N N   . ILE A 1 161 ? -7.849  30.202  27.444 1.000 23.870 0 159 ILE AAA N   1 ? 
ATOM   1349 C CA  . ILE A 1 161 ? -7.802  28.981  28.296 1.000 29.782 0 159 ILE AAA CA  1 ? 
ATOM   1350 C C   . ILE A 1 161 ? -7.258  29.345  29.684 1.000 31.076 0 159 ILE AAA C   1 ? 
ATOM   1351 O O   . ILE A 1 161 ? -6.555  30.386  29.842 1.000 31.641 0 159 ILE AAA O   1 ? 
ATOM   1352 C CB  . ILE A 1 161 ? -6.985  27.859  27.646 1.000 29.007 0 159 ILE AAA CB  1 ? 
ATOM   1353 C CG1 . ILE A 1 161 ? -5.504  28.246  27.575 1.000 26.042 0 159 ILE AAA CG1 1 ? 
ATOM   1354 C CG2 . ILE A 1 161 ? -7.565  27.484  26.285 1.000 29.306 0 159 ILE AAA CG2 1 ? 
ATOM   1355 C CD1 . ILE A 1 161 ? -4.585  27.090  27.273 1.000 29.252 0 159 ILE AAA CD1 1 ? 
ATOM   1356 N N   . HIS A 1 162 ? -7.609  28.510  30.657 1.000 30.004 0 160 HIS AAA N   1 ? 
ATOM   1357 C CA  . HIS A 1 162 ? -7.326  28.719  32.093 1.000 30.087 0 160 HIS AAA CA  1 ? 
ATOM   1358 C C   . HIS A 1 162 ? -6.862  27.404  32.676 1.000 31.201 0 160 HIS AAA C   1 ? 
ATOM   1359 O O   . HIS A 1 162 ? -7.295  26.336  32.186 1.000 37.269 0 160 HIS AAA O   1 ? 
ATOM   1360 C CB  . HIS A 1 162 ? -8.573  29.201  32.853 1.000 34.493 0 160 HIS AAA CB  1 ? 
ATOM   1361 C CG  . HIS A 1 162 ? -9.333  30.210  32.084 1.000 37.307 0 160 HIS AAA CG  1 ? 
ATOM   1362 N ND1 . HIS A 1 162 ? -9.080  31.562  32.219 1.000 37.293 0 160 HIS AAA ND1 1 ? 
ATOM   1363 C CD2 . HIS A 1 162 ? -10.272 30.071  31.120 1.000 39.276 0 160 HIS AAA CD2 1 ? 
ATOM   1364 C CE1 . HIS A 1 162 ? -9.851  32.218  31.379 1.000 38.043 0 160 HIS AAA CE1 1 ? 
ATOM   1365 N NE2 . HIS A 1 162 ? -10.584 31.329  30.697 1.000 37.652 0 160 HIS AAA NE2 1 ? 
ATOM   1366 N N   . HIS A 1 163 ? -5.991  27.495  33.670 1.000 30.246 0 161 HIS AAA N   1 ? 
ATOM   1367 C CA  . HIS A 1 163 ? -5.490  26.333  34.422 1.000 32.408 0 161 HIS AAA CA  1 ? 
ATOM   1368 C C   . HIS A 1 163 ? -6.559  25.991  35.472 1.000 34.100 0 161 HIS AAA C   1 ? 
ATOM   1369 O O   . HIS A 1 163 ? -6.944  26.879  36.246 1.000 35.571 0 161 HIS AAA O   1 ? 
ATOM   1370 C CB  . HIS A 1 163 ? -4.080  26.644  34.943 1.000 25.838 0 161 HIS AAA CB  1 ? 
ATOM   1371 C CG  . HIS A 1 163 ? -3.426  25.437  35.505 1.000 25.949 0 161 HIS AAA CG  1 ? 
ATOM   1372 N ND1 . HIS A 1 163 ? -2.749  24.475  34.768 1.000 24.092 0 161 HIS AAA ND1 1 ? 
ATOM   1373 C CD2 . HIS A 1 163 ? -3.406  25.006  36.763 1.000 20.050 0 161 HIS AAA CD2 1 ? 
ATOM   1374 C CE1 . HIS A 1 163 ? -2.318  23.543  35.584 1.000 21.118 0 161 HIS AAA CE1 1 ? 
ATOM   1375 N NE2 . HIS A 1 163 ? -2.691  23.849  36.802 1.000 28.841 0 161 HIS AAA NE2 1 ? 
ATOM   1376 N N   . LYS A 1 164 ? -7.017  24.751  35.503 1.000 42.166 0 162 LYS AAA N   1 ? 
ATOM   1377 C CA  . LYS A 1 164 ? -7.973  24.304  36.548 1.000 49.632 0 162 LYS AAA CA  1 ? 
ATOM   1378 C C   . LYS A 1 164 ? -7.134  23.840  37.751 1.000 51.640 0 162 LYS AAA C   1 ? 
ATOM   1379 O O   . LYS A 1 164 ? -6.111  23.175  37.507 1.000 49.461 0 162 LYS AAA O   1 ? 
ATOM   1380 C CB  . LYS A 1 164 ? -8.907  23.228  35.978 1.000 53.544 0 162 LYS AAA CB  1 ? 
ATOM   1381 N N   . GLU A 1 165 ? -7.527  24.205  38.982 1.000 60.166 0 163 GLU AAA N   1 ? 
ATOM   1382 C CA  . GLU A 1 165 ? -6.891  23.734  40.248 1.000 62.295 0 163 GLU AAA CA  1 ? 
ATOM   1383 C C   . GLU A 1 165 ? -6.933  22.198  40.289 1.000 65.989 0 163 GLU AAA C   1 ? 
ATOM   1384 O O   . GLU A 1 165 ? -7.889  21.625  39.747 1.000 65.410 0 163 GLU AAA O   1 ? 
ATOM   1385 C CB  . GLU A 1 165 ? -7.594  24.337  41.467 1.000 63.411 0 163 GLU AAA CB  1 ? 
ATOM   1386 N N   . LYS A 1 166 ? -5.927  21.560  40.894 1.000 69.931 0 164 LYS AAA N   1 ? 
ATOM   1387 C CA  . LYS A 1 166 ? -5.809  20.079  41.001 1.000 71.298 0 164 LYS AAA CA  1 ? 
ATOM   1388 C C   . LYS A 1 166 ? -5.627  19.695  42.475 1.000 68.021 0 164 LYS AAA C   1 ? 
ATOM   1389 O O   . LYS A 1 166 ? -4.804  18.848  42.835 1.000 71.288 0 164 LYS AAA O   1 ? 
ATOM   1390 C CB  . LYS A 1 166 ? -4.649  19.579  40.133 1.000 70.366 0 164 LYS AAA CB  1 ? 
HETATM 1391 O O   . HOH B 2 .   ? 13.848  2.271   23.705 1.000 30.237 0 201 HOH AAA O   1 ? 
HETATM 1392 O O   . HOH B 2 .   ? 7.673   19.874  29.039 1.000 28.080 0 202 HOH AAA O   1 ? 
HETATM 1393 O O   . HOH B 2 .   ? 3.834   34.922  31.854 1.000 32.510 0 203 HOH AAA O   1 ? 
HETATM 1394 O O   . HOH B 2 .   ? -4.525  32.245  20.132 1.000 43.550 0 204 HOH AAA O   1 ? 
HETATM 1395 O O   . HOH B 2 .   ? -10.863 23.921  25.841 1.000 36.793 0 205 HOH AAA O   1 ? 
HETATM 1396 O O   . HOH B 2 .   ? 15.744  4.289   26.044 1.000 24.381 0 206 HOH AAA O   1 ? 
HETATM 1397 O O   . HOH B 2 .   ? 0.806   25.135  6.022  1.000 41.447 0 207 HOH AAA O   1 ? 
HETATM 1398 O O   . HOH B 2 .   ? 9.549   17.195  36.205 1.000 37.279 0 208 HOH AAA O   1 ? 
HETATM 1399 O O   . HOH B 2 .   ? -0.979  32.513  17.907 1.000 34.829 0 209 HOH AAA O   1 ? 
HETATM 1400 O O   . HOH B 2 .   ? -8.985  -5.861  14.036 1.000 24.530 0 210 HOH AAA O   1 ? 
HETATM 1401 O O   . HOH B 2 .   ? -3.614  19.457  6.916  1.000 49.432 0 211 HOH AAA O   1 ? 
HETATM 1402 O O   . HOH B 2 .   ? 5.963   23.889  10.620 1.000 39.038 0 212 HOH AAA O   1 ? 
HETATM 1403 O O   . HOH B 2 .   ? 1.826   28.436  15.293 1.000 28.005 0 213 HOH AAA O   1 ? 
HETATM 1404 O O   . HOH B 2 .   ? -9.806  28.135  15.749 1.000 36.927 0 214 HOH AAA O   1 ? 
HETATM 1405 O O   . HOH B 2 .   ? -11.016 35.297  29.552 1.000 41.935 0 215 HOH AAA O   1 ? 
HETATM 1406 O O   . HOH B 2 .   ? -4.292  9.345   1.850  1.000 34.328 0 216 HOH AAA O   1 ? 
HETATM 1407 O O   . HOH B 2 .   ? -12.331 32.388  29.080 1.000 43.608 0 217 HOH AAA O   1 ? 
HETATM 1408 O O   . HOH B 2 .   ? 3.518   21.955  37.114 1.000 37.634 0 218 HOH AAA O   1 ? 
HETATM 1409 O O   . HOH B 2 .   ? -10.168 35.822  26.484 1.000 44.062 0 219 HOH AAA O   1 ? 
HETATM 1410 O O   . HOH B 2 .   ? 17.645  8.491   26.714 1.000 37.246 0 220 HOH AAA O   1 ? 
HETATM 1411 O O   . HOH B 2 .   ? -7.640  19.527  29.331 1.000 36.728 0 221 HOH AAA O   1 ? 
HETATM 1412 O O   . HOH B 2 .   ? 16.560  13.000  4.052  1.000 31.215 0 222 HOH AAA O   1 ? 
HETATM 1413 O O   . HOH B 2 .   ? 5.735   -8.443  2.076  1.000 35.813 0 223 HOH AAA O   1 ? 
HETATM 1414 O O   . HOH B 2 .   ? -3.424  18.901  11.520 1.000 23.897 0 224 HOH AAA O   1 ? 
HETATM 1415 O O   . HOH B 2 .   ? -0.217  -10.159 1.906  1.000 36.156 0 225 HOH AAA O   1 ? 
HETATM 1416 O O   . HOH B 2 .   ? -7.361  32.678  19.693 1.000 42.413 0 226 HOH AAA O   1 ? 
HETATM 1417 O O   . HOH B 2 .   ? 18.603  14.413  20.871 1.000 28.589 0 227 HOH AAA O   1 ? 
HETATM 1418 O O   . HOH B 2 .   ? -8.979  13.568  21.474 1.000 27.932 0 228 HOH AAA O   1 ? 
HETATM 1419 O O   . HOH B 2 .   ? -13.994 19.720  19.626 1.000 19.628 0 229 HOH AAA O   1 ? 
HETATM 1420 O O   . HOH B 2 .   ? 12.812  7.909   0.104  1.000 22.890 0 230 HOH AAA O   1 ? 
HETATM 1421 O O   . HOH B 2 .   ? -6.655  1.183   21.958 1.000 25.160 0 231 HOH AAA O   1 ? 
HETATM 1422 O O   . HOH B 2 .   ? 2.980   22.366  6.535  1.000 24.827 0 232 HOH AAA O   1 ? 
HETATM 1423 O O   . HOH B 2 .   ? -3.665  22.673  40.009 1.000 40.164 0 233 HOH AAA O   1 ? 
HETATM 1424 O O   . HOH B 2 .   ? 19.884  15.535  18.860 1.000 27.456 0 234 HOH AAA O   1 ? 
HETATM 1425 O O   . HOH B 2 .   ? 0.957   32.267  33.654 1.000 29.847 0 235 HOH AAA O   1 ? 
HETATM 1426 O O   . HOH B 2 .   ? -10.179 20.000  11.510 1.000 23.917 0 236 HOH AAA O   1 ? 
HETATM 1427 O O   . HOH B 2 .   ? 12.791  21.087  32.750 1.000 19.897 0 237 HOH AAA O   1 ? 
HETATM 1428 O O   . HOH B 2 .   ? 0.636   29.599  32.978 1.000 21.754 0 238 HOH AAA O   1 ? 
HETATM 1429 O O   . HOH B 2 .   ? 7.724   11.135  33.551 1.000 28.504 0 239 HOH AAA O   1 ? 
HETATM 1430 O O   . HOH B 2 .   ? 11.591  16.829  21.187 1.000 16.137 0 240 HOH AAA O   1 ? 
HETATM 1431 O O   . HOH B 2 .   ? 1.531   10.817  -0.519 1.000 31.138 0 241 HOH AAA O   1 ? 
HETATM 1432 O O   . HOH B 2 .   ? 22.931  12.697  18.228 1.000 33.996 0 242 HOH AAA O   1 ? 
HETATM 1433 O O   . HOH B 2 .   ? 13.702  15.230  20.272 1.000 18.634 0 243 HOH AAA O   1 ? 
HETATM 1434 O O   . HOH B 2 .   ? 5.794   27.957  27.945 1.000 21.959 0 244 HOH AAA O   1 ? 
HETATM 1435 O O   . HOH B 2 .   ? -6.417  12.991  11.766 1.000 17.708 0 245 HOH AAA O   1 ? 
HETATM 1436 O O   . HOH B 2 .   ? -16.059 21.999  14.488 1.000 24.594 0 246 HOH AAA O   1 ? 
HETATM 1437 O O   . HOH B 2 .   ? 16.903  13.228  8.311  1.000 25.627 0 247 HOH AAA O   1 ? 
HETATM 1438 O O   . HOH B 2 .   ? 20.458  9.219   13.987 1.000 24.414 0 248 HOH AAA O   1 ? 
HETATM 1439 O O   . HOH B 2 .   ? 12.362  2.172   2.328  1.000 25.495 0 249 HOH AAA O   1 ? 
HETATM 1440 O O   . HOH B 2 .   ? -8.636  17.962  23.172 1.000 23.768 0 250 HOH AAA O   1 ? 
HETATM 1441 O O   . HOH B 2 .   ? 11.911  20.522  0.469  1.000 43.895 0 251 HOH AAA O   1 ? 
HETATM 1442 O O   . HOH B 2 .   ? -2.577  -3.850  11.586 1.000 27.860 0 252 HOH AAA O   1 ? 
HETATM 1443 O O   . HOH B 2 .   ? 7.611   -7.982  10.796 1.000 18.232 0 253 HOH AAA O   1 ? 
HETATM 1444 O O   . HOH B 2 .   ? -3.478  -4.034  6.453  1.000 21.536 0 254 HOH AAA O   1 ? 
HETATM 1445 O O   . HOH B 2 .   ? -4.542  12.272  9.453  1.000 18.973 0 255 HOH AAA O   1 ? 
HETATM 1446 O O   . HOH B 2 .   ? -13.784 18.671  17.003 1.000 32.408 0 256 HOH AAA O   1 ? 
HETATM 1447 O O   . HOH B 2 .   ? -11.707 10.084  9.271  1.000 47.545 0 257 HOH AAA O   1 ? 
HETATM 1448 O O   . HOH B 2 .   ? -3.887  30.076  33.213 1.000 31.923 0 258 HOH AAA O   1 ? 
HETATM 1449 O O   . HOH B 2 .   ? 10.458  -3.622  5.338  1.000 16.150 0 259 HOH AAA O   1 ? 
HETATM 1450 O O   . HOH B 2 .   ? -6.955  4.987   8.393  1.000 36.213 0 260 HOH AAA O   1 ? 
HETATM 1451 O O   . HOH B 2 .   ? 10.713  22.866  4.848  1.000 26.133 0 261 HOH AAA O   1 ? 
HETATM 1452 O O   . HOH B 2 .   ? -1.117  1.497   21.840 1.000 14.326 0 262 HOH AAA O   1 ? 
HETATM 1453 O O   . HOH B 2 .   ? 1.875   -3.038  -0.044 1.000 25.820 0 263 HOH AAA O   1 ? 
HETATM 1454 O O   . HOH B 2 .   ? 3.636   -0.892  0.599  1.000 31.823 0 264 HOH AAA O   1 ? 
HETATM 1455 O O   . HOH B 2 .   ? -5.410  32.652  30.904 1.000 31.448 0 265 HOH AAA O   1 ? 
HETATM 1456 O O   . HOH B 2 .   ? 7.218   24.769  27.858 1.000 30.904 0 266 HOH AAA O   1 ? 
HETATM 1457 O O   . HOH B 2 .   ? -8.194  12.583  9.191  1.000 38.952 0 267 HOH AAA O   1 ? 
HETATM 1458 O O   . HOH B 2 .   ? 15.506  10.405  13.483 1.000 16.338 0 268 HOH AAA O   1 ? 
HETATM 1459 O O   . HOH B 2 .   ? 1.130   -5.359  1.330  1.000 24.832 0 269 HOH AAA O   1 ? 
HETATM 1460 O O   . HOH B 2 .   ? 7.177   6.652   15.516 1.000 13.174 0 270 HOH AAA O   1 ? 
HETATM 1461 O O   . HOH B 2 .   ? 11.571  -7.004  11.490 1.000 18.970 0 271 HOH AAA O   1 ? 
HETATM 1462 O O   . HOH B 2 .   ? 20.087  25.856  12.467 1.000 17.903 0 272 HOH AAA O   1 ? 
HETATM 1463 O O   . HOH B 2 .   ? 1.412   27.085  12.899 1.000 26.746 0 273 HOH AAA O   1 ? 
HETATM 1464 O O   . HOH B 2 .   ? 3.343   28.965  6.824  1.000 31.409 0 274 HOH AAA O   1 ? 
HETATM 1465 O O   . HOH B 2 .   ? 6.931   6.027   1.740  1.000 14.945 0 275 HOH AAA O   1 ? 
HETATM 1466 O O   . HOH B 2 .   ? 7.042   11.907  26.190 1.000 16.189 0 276 HOH AAA O   1 ? 
HETATM 1467 O O   . HOH B 2 .   ? 9.408   21.647  12.431 1.000 24.580 0 277 HOH AAA O   1 ? 
HETATM 1468 O O   . HOH B 2 .   ? 7.888   25.775  25.225 1.000 20.633 0 278 HOH AAA O   1 ? 
HETATM 1469 O O   . HOH B 2 .   ? -4.869  -1.881  9.218  1.000 26.718 0 279 HOH AAA O   1 ? 
HETATM 1470 O O   . HOH B 2 .   ? 15.340  4.353   6.392  1.000 19.640 0 280 HOH AAA O   1 ? 
HETATM 1471 O O   . HOH B 2 .   ? 11.660  -0.044  26.234 1.000 26.058 0 281 HOH AAA O   1 ? 
HETATM 1472 O O   . HOH B 2 .   ? 2.667   3.396   1.906  1.000 20.190 0 282 HOH AAA O   1 ? 
HETATM 1473 O O   . HOH B 2 .   ? 14.081  13.672  23.645 1.000 19.807 0 283 HOH AAA O   1 ? 
HETATM 1474 O O   . HOH B 2 .   ? 6.055   22.200  23.098 1.000 19.902 0 284 HOH AAA O   1 ? 
HETATM 1475 O O   . HOH B 2 .   ? 10.436  19.836  36.456 1.000 41.416 0 285 HOH AAA O   1 ? 
HETATM 1476 O O   . HOH B 2 .   ? 17.534  12.742  27.010 1.000 21.306 0 286 HOH AAA O   1 ? 
HETATM 1477 O O   . HOH B 2 .   ? 5.170   -8.405  9.461  1.000 16.575 0 287 HOH AAA O   1 ? 
HETATM 1478 O O   . HOH B 2 .   ? 11.036  13.194  33.348 1.000 30.381 0 288 HOH AAA O   1 ? 
HETATM 1479 O O   . HOH B 2 .   ? -14.938 24.727  25.457 1.000 29.515 0 289 HOH AAA O   1 ? 
HETATM 1480 O O   . HOH B 2 .   ? 25.268  21.731  6.596  1.000 44.972 0 290 HOH AAA O   1 ? 
HETATM 1481 O O   . HOH B 2 .   ? -5.668  15.069  31.107 1.000 32.237 0 291 HOH AAA O   1 ? 
HETATM 1482 O O   . HOH B 2 .   ? 14.540  13.841  34.151 1.000 36.382 0 292 HOH AAA O   1 ? 
HETATM 1483 O O   . HOH B 2 .   ? 0.745   2.805   23.481 1.000 16.796 0 293 HOH AAA O   1 ? 
HETATM 1484 O O   . HOH B 2 .   ? 7.844   9.359   6.314  1.000 13.477 0 294 HOH AAA O   1 ? 
HETATM 1485 O O   . HOH B 2 .   ? 9.748   -0.131  2.026  1.000 17.005 0 295 HOH AAA O   1 ? 
HETATM 1486 O O   . HOH B 2 .   ? 14.927  14.927  0.000  0.500 27.288 0 296 HOH AAA O   1 ? 
HETATM 1487 O O   . HOH B 2 .   ? 15.877  20.152  6.737  1.000 24.614 0 297 HOH AAA O   1 ? 
HETATM 1488 O O   . HOH B 2 .   ? -14.679 25.707  14.950 1.000 21.887 0 298 HOH AAA O   1 ? 
HETATM 1489 O O   . HOH B 2 .   ? -2.348  1.715   2.920  1.000 18.530 0 299 HOH AAA O   1 ? 
HETATM 1490 O O   . HOH B 2 .   ? 16.637  13.319  19.192 1.000 20.266 0 300 HOH AAA O   1 ? 
HETATM 1491 O O   . HOH B 2 .   ? 5.516   13.542  0.785  1.000 19.884 0 301 HOH AAA O   1 ? 
HETATM 1492 O O   . HOH B 2 .   ? 10.340  18.548  0.178  1.000 24.609 0 302 HOH AAA O   1 ? 
HETATM 1493 O O   . HOH B 2 .   ? 11.422  13.035  -0.890 1.000 27.851 0 303 HOH AAA O   1 ? 
HETATM 1494 O O   . HOH B 2 .   ? 7.295   20.655  26.380 1.000 32.027 0 304 HOH AAA O   1 ? 
HETATM 1495 O O   . HOH B 2 .   ? 7.638   26.828  33.129 1.000 27.587 0 305 HOH AAA O   1 ? 
HETATM 1496 O O   . HOH B 2 .   ? 26.398  18.480  17.011 1.000 38.557 0 306 HOH AAA O   1 ? 
HETATM 1497 O O   . HOH B 2 .   ? 9.213   19.496  20.148 1.000 33.925 0 307 HOH AAA O   1 ? 
HETATM 1498 O O   . HOH B 2 .   ? -3.081  -1.001  20.849 1.000 21.099 0 308 HOH AAA O   1 ? 
HETATM 1499 O O   . HOH B 2 .   ? -5.460  39.282  27.659 1.000 40.877 0 309 HOH AAA O   1 ? 
HETATM 1500 O O   . HOH B 2 .   ? 7.532   25.778  2.786  1.000 34.350 0 310 HOH AAA O   1 ? 
HETATM 1501 O O   . HOH B 2 .   ? 13.731  22.223  11.124 1.000 26.479 0 311 HOH AAA O   1 ? 
HETATM 1502 O O   . HOH B 2 .   ? 13.074  1.331   20.856 1.000 23.771 0 312 HOH AAA O   1 ? 
HETATM 1503 O O   . HOH B 2 .   ? -7.909  8.586   16.495 1.000 20.140 0 313 HOH AAA O   1 ? 
HETATM 1504 O O   . HOH B 2 .   ? 5.152   16.783  31.478 1.000 34.289 0 314 HOH AAA O   1 ? 
HETATM 1505 O O   . HOH B 2 .   ? 12.433  2.661   13.891 1.000 20.604 0 315 HOH AAA O   1 ? 
HETATM 1506 O O   . HOH B 2 .   ? 1.622   1.622   0.000  0.500 26.409 0 316 HOH AAA O   1 ? 
HETATM 1507 O O   . HOH B 2 .   ? -0.372  17.208  12.006 1.000 24.520 0 317 HOH AAA O   1 ? 
HETATM 1508 O O   . HOH B 2 .   ? -8.255  -1.534  15.116 1.000 14.910 0 318 HOH AAA O   1 ? 
HETATM 1509 O O   . HOH B 2 .   ? 7.610   29.026  31.512 1.000 23.184 0 319 HOH AAA O   1 ? 
HETATM 1510 O O   . HOH B 2 .   ? 22.741  18.971  20.401 1.000 20.338 0 320 HOH AAA O   1 ? 
HETATM 1511 O O   . HOH B 2 .   ? 18.259  17.187  8.632  1.000 21.646 0 321 HOH AAA O   1 ? 
HETATM 1512 O O   . HOH B 2 .   ? 9.459   11.625  6.387  1.000 15.280 0 322 HOH AAA O   1 ? 
HETATM 1513 O O   . HOH B 2 .   ? -2.641  -5.898  15.942 1.000 34.623 0 323 HOH AAA O   1 ? 
HETATM 1514 O O   . HOH B 2 .   ? 17.754  26.822  6.091  1.000 27.823 0 324 HOH AAA O   1 ? 
HETATM 1515 O O   . HOH B 2 .   ? -8.766  10.606  14.919 1.000 29.200 0 325 HOH AAA O   1 ? 
HETATM 1516 O O   . HOH B 2 .   ? 12.165  -3.636  12.597 1.000 24.429 0 326 HOH AAA O   1 ? 
HETATM 1517 O O   . HOH B 2 .   ? 26.415  18.931  12.282 1.000 30.790 0 327 HOH AAA O   1 ? 
HETATM 1518 O O   . HOH B 2 .   ? 8.147   4.559   29.082 1.000 32.929 0 328 HOH AAA O   1 ? 
HETATM 1519 O O   . HOH B 2 .   ? -3.176  13.796  5.842  1.000 29.402 0 329 HOH AAA O   1 ? 
HETATM 1520 O O   . HOH B 2 .   ? 20.537  13.627  25.083 1.000 26.698 0 330 HOH AAA O   1 ? 
HETATM 1521 O O   . HOH B 2 .   ? -6.690  8.455   4.166  1.000 25.937 0 331 HOH AAA O   1 ? 
HETATM 1522 O O   . HOH B 2 .   ? -5.326  22.580  29.651 1.000 28.107 0 332 HOH AAA O   1 ? 
HETATM 1523 O O   . HOH B 2 .   ? 6.194   22.106  27.960 1.000 23.482 0 333 HOH AAA O   1 ? 
HETATM 1524 O O   . HOH B 2 .   ? 12.274  -1.253  21.371 1.000 22.624 0 334 HOH AAA O   1 ? 
HETATM 1525 O O   . HOH B 2 .   ? -10.393 3.585   3.893  1.000 46.356 0 335 HOH AAA O   1 ? 
HETATM 1526 O O   . HOH B 2 .   ? 8.428   31.326  32.989 1.000 24.422 0 336 HOH AAA O   1 ? 
HETATM 1527 O O   . HOH B 2 .   ? -10.847 25.924  14.933 1.000 22.856 0 337 HOH AAA O   1 ? 
HETATM 1528 O O   . HOH B 2 .   ? -13.934 31.320  17.152 1.000 33.144 0 338 HOH AAA O   1 ? 
HETATM 1529 O O   . HOH B 2 .   ? 14.878  12.103  21.305 1.000 20.258 0 339 HOH AAA O   1 ? 
HETATM 1530 O O   . HOH B 2 .   ? -1.143  13.822  0.372  1.000 32.735 0 340 HOH AAA O   1 ? 
HETATM 1531 O O   . HOH B 2 .   ? -9.667  26.590  29.587 1.000 38.853 0 341 HOH AAA O   1 ? 
HETATM 1532 O O   . HOH B 2 .   ? -14.069 23.055  22.718 1.000 21.507 0 342 HOH AAA O   1 ? 
HETATM 1533 O O   . HOH B 2 .   ? 9.152   15.343  32.513 1.000 21.218 0 343 HOH AAA O   1 ? 
HETATM 1534 O O   . HOH B 2 .   ? 3.552   -4.219  14.998 1.000 17.937 0 344 HOH AAA O   1 ? 
HETATM 1535 O O   . HOH B 2 .   ? 13.414  -1.874  9.668  1.000 28.589 0 345 HOH AAA O   1 ? 
HETATM 1536 O O   . HOH B 2 .   ? -1.171  21.838  8.692  1.000 25.341 0 346 HOH AAA O   1 ? 
HETATM 1537 O O   . HOH B 2 .   ? 9.559   20.255  33.294 1.000 37.017 0 347 HOH AAA O   1 ? 
HETATM 1538 O O   . HOH B 2 .   ? 5.200   22.698  13.443 1.000 29.042 0 348 HOH AAA O   1 ? 
HETATM 1539 O O   . HOH B 2 .   ? 5.175   18.770  29.604 1.000 29.908 0 349 HOH AAA O   1 ? 
HETATM 1540 O O   . HOH B 2 .   ? 6.720   22.489  36.396 1.000 38.581 0 350 HOH AAA O   1 ? 
HETATM 1541 O O   . HOH B 2 .   ? 15.929  17.374  6.766  1.000 21.077 0 351 HOH AAA O   1 ? 
HETATM 1542 O O   . HOH B 2 .   ? -11.797 21.530  8.251  1.000 47.267 0 352 HOH AAA O   1 ? 
HETATM 1543 O O   . HOH B 2 .   ? 22.327  10.065  17.967 1.000 30.113 0 353 HOH AAA O   1 ? 
HETATM 1544 O O   . HOH B 2 .   ? 0.501   15.532  4.666  1.000 27.172 0 354 HOH AAA O   1 ? 
HETATM 1545 O O   . HOH B 2 .   ? -7.629  11.670  23.254 1.000 27.421 0 355 HOH AAA O   1 ? 
HETATM 1546 O O   . HOH B 2 .   ? -10.552 9.735   19.992 1.000 45.462 0 356 HOH AAA O   1 ? 
HETATM 1547 O O   . HOH B 2 .   ? 5.371   5.978   29.019 1.000 39.600 0 357 HOH AAA O   1 ? 
HETATM 1548 O O   . HOH B 2 .   ? -5.023  21.332  32.339 1.000 32.750 0 358 HOH AAA O   1 ? 
HETATM 1549 O O   . HOH B 2 .   ? -7.213  20.015  7.454  1.000 38.981 0 359 HOH AAA O   1 ? 
HETATM 1550 O O   . HOH B 2 .   ? -2.064  -5.098  8.856  1.000 27.541 0 360 HOH AAA O   1 ? 
HETATM 1551 O O   . HOH B 2 .   ? 14.011  22.008  13.780 1.000 25.644 0 361 HOH AAA O   1 ? 
HETATM 1552 O O   . HOH B 2 .   ? -11.321 16.971  8.335  1.000 42.342 0 362 HOH AAA O   1 ? 
HETATM 1553 O O   . HOH B 2 .   ? 14.358  8.889   33.013 1.000 31.825 0 363 HOH AAA O   1 ? 
HETATM 1554 O O   . HOH B 2 .   ? 2.574   34.683  26.258 1.000 36.133 0 364 HOH AAA O   1 ? 
HETATM 1555 O O   . HOH B 2 .   ? 4.300   14.143  32.830 1.000 33.619 0 365 HOH AAA O   1 ? 
HETATM 1556 O O   . HOH B 2 .   ? -10.778 30.515  15.924 1.000 40.795 0 366 HOH AAA O   1 ? 
HETATM 1557 O O   . HOH B 2 .   ? -1.456  -4.736  13.691 1.000 30.038 0 367 HOH AAA O   1 ? 
HETATM 1558 O O   . HOH B 2 .   ? -5.822  12.243  7.163  1.000 39.058 0 368 HOH AAA O   1 ? 
HETATM 1559 O O   . HOH B 2 .   ? -8.604  12.933  13.117 1.000 38.429 0 369 HOH AAA O   1 ? 
HETATM 1560 O O   . HOH B 2 .   ? 5.199   33.754  26.451 1.000 33.363 0 370 HOH AAA O   1 ? 
HETATM 1561 O O   . HOH B 2 .   ? -16.014 20.846  11.947 1.000 38.281 0 371 HOH AAA O   1 ? 
HETATM 1562 O O   . HOH B 2 .   ? -13.191 18.295  23.555 1.000 29.721 0 372 HOH AAA O   1 ? 
HETATM 1563 O O   . HOH B 2 .   ? -14.362 11.034  14.481 1.000 40.295 0 373 HOH AAA O   1 ? 
HETATM 1564 O O   . HOH B 2 .   ? -13.856 17.410  12.669 1.000 39.416 0 374 HOH AAA O   1 ? 
HETATM 1565 O O   . HOH B 2 .   ? -10.974 16.724  23.979 1.000 34.358 0 375 HOH AAA O   1 ? 
HETATM 1566 O O   . HOH B 2 .   ? -5.794  -4.897  5.247  1.000 40.471 0 376 HOH AAA O   1 ? 
HETATM 1567 O O   . HOH B 2 .   ? 10.920  -0.218  29.026 1.000 36.134 0 377 HOH AAA O   1 ? 
HETATM 1568 O O   . HOH B 2 .   ? 18.841  13.283  12.258 1.000 23.259 0 378 HOH AAA O   1 ? 
HETATM 1569 O O   . HOH B 2 .   ? -15.407 17.948  15.007 1.000 38.873 0 379 HOH AAA O   1 ? 
HETATM 1570 O O   . HOH B 2 .   ? 28.167  20.323  14.681 1.000 37.568 0 380 HOH AAA O   1 ? 
HETATM 1571 O O   . HOH B 2 .   ? -1.410  18.903  9.390  1.000 39.408 0 381 HOH AAA O   1 ? 
HETATM 1572 O O   . HOH B 2 .   ? -9.747  20.106  8.750  1.000 33.386 0 382 HOH AAA O   1 ? 
HETATM 1573 O O   . HOH B 2 .   ? 10.310  24.565  2.464  1.000 35.637 0 383 HOH AAA O   1 ? 
HETATM 1574 O O   . HOH B 2 .   ? 17.815  14.823  10.262 1.000 25.577 0 384 HOH AAA O   1 ? 
HETATM 1575 O O   . HOH B 2 .   ? 17.918  10.792  12.078 1.000 27.442 0 385 HOH AAA O   1 ? 
HETATM 1576 O O   . HOH B 2 .   ? -12.955 27.473  13.973 1.000 26.893 0 386 HOH AAA O   1 ? 
HETATM 1577 O O   . HOH B 2 .   ? -7.379  -0.654  8.485  1.000 42.096 0 387 HOH AAA O   1 ? 
HETATM 1578 O O   . HOH B 2 .   ? -11.409 17.646  11.521 1.000 37.806 0 388 HOH AAA O   1 ? 
HETATM 1579 O O   . HOH B 2 .   ? 6.358   19.777  23.570 1.000 28.508 0 389 HOH AAA O   1 ? 
HETATM 1580 O O   . HOH B 2 .   ? 22.623  16.279  19.622 1.000 29.556 0 390 HOH AAA O   1 ? 
HETATM 1581 O O   . HOH B 2 .   ? -2.085  -8.078  9.084  1.000 47.231 0 391 HOH AAA O   1 ? 
HETATM 1582 O O   . HOH B 2 .   ? 0.518   34.123  35.541 1.000 41.757 0 392 HOH AAA O   1 ? 
HETATM 1583 O O   . HOH B 2 .   ? -9.285  12.327  6.432  1.000 44.096 0 393 HOH AAA O   1 ? 
HETATM 1584 O O   . HOH B 2 .   ? 7.226   2.338   31.618 1.000 41.381 0 394 HOH AAA O   1 ? 
HETATM 1585 O O   . HOH B 2 .   ? 0.591   -9.857  9.390  1.000 38.456 0 395 HOH AAA O   1 ? 
HETATM 1586 O O   . HOH B 2 .   ? -13.102 30.192  14.862 1.000 36.305 0 396 HOH AAA O   1 ? 
HETATM 1587 O O   . HOH B 2 .   ? 7.055   13.884  33.861 1.000 29.302 0 397 HOH AAA O   1 ? 
HETATM 1588 O O   . HOH B 2 .   ? -13.925 20.759  24.929 1.000 41.974 0 398 HOH AAA O   1 ? 
HETATM 1589 O O   . HOH B 2 .   ? 10.177  11.020  34.283 1.000 40.554 0 399 HOH AAA O   1 ? 
HETATM 1590 O O   . HOH B 2 .   ? -10.313 15.595  13.480 1.000 42.304 0 400 HOH AAA O   1 ? 
HETATM 1591 O O   . HOH B 2 .   ? 12.074  18.417  38.738 1.000 43.740 0 401 HOH AAA O   1 ? 
HETATM 1592 O O   . HOH B 2 .   ? 15.176  -0.356  11.341 1.000 28.813 0 402 HOH AAA O   1 ? 
HETATM 1593 O O   . HOH B 2 .   ? 9.934   27.919  33.971 1.000 27.757 0 403 HOH AAA O   1 ? 
HETATM 1594 O O   . HOH B 2 .   ? 14.365  0.329   2.002  1.000 33.833 0 404 HOH AAA O   1 ? 
HETATM 1595 O O   . HOH B 2 .   ? 0.633   10.215  32.859 1.000 37.405 0 405 HOH AAA O   1 ? 
HETATM 1596 O O   . HOH B 2 .   ? 2.271   12.469  33.682 1.000 34.178 0 406 HOH AAA O   1 ? 
HETATM 1597 O O   . HOH B 2 .   ? -10.700 8.282   22.518 1.000 51.559 0 407 HOH AAA O   1 ? 
# 
