data_9GLL
# 
_entry.id   9GLL 
# 
_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   9GLL         pdb_00009gll 10.2210/pdb9gll/pdb 
WWPDB D_1292141256 ?            ?                   
# 
_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                        9GLL 
_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' 19652.598 1   ? T106L ? 
'Threonine at 106th position is mutated to Leucine' 
2 water   nat water                                          18.015    152 ? ?     ? ? 
# 
_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
EFDIEFDIPITYPTTAPEIAVPELDGKLAKMYRGGKICLTDHFKPLWARNVPKFGLAHLMALGLGPWLAVEIPDLIQKGV
IHHKEKCNQ
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GSMADEATRRVVSEIPVLKTNAGPRDRELWVQRLKEEYQSLIRYVENNKNADNDWFRLESNKEGTRWFGKCWYIHDLLKY
EFDIEFDIPITYPTTAPEIAVPELDGKLAKMYRGGKICLTDHFKPLWARNVPKFGLAHLMALGLGPWLAVEIPDLIQKGV
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 LEU 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 LEU 108 106 106 LEU LEU AAA . n 
A 1 109 ALA 109 107 107 ALA ALA AAA . n 
A 1 110 LYS 110 108 108 LYS LYS AAA . n 
A 1 111 MET 111 109 109 MET MET AAA . n 
A 1 112 TYR 112 110 110 TYR TYR AAA . n 
A 1 113 ARG 113 111 111 ARG ARG AAA . n 
A 1 114 GLY 114 112 112 GLY GLY AAA . n 
A 1 115 GLY 115 113 113 GLY GLY AAA . n 
A 1 116 LYS 116 114 114 LYS LYS AAA . n 
A 1 117 ILE 117 115 115 ILE ILE AAA . n 
A 1 118 CYS 118 116 116 CYS CYS AAA . n 
A 1 119 LEU 119 117 117 LEU LEU AAA . n 
A 1 120 THR 120 118 118 THR THR AAA . n 
A 1 121 ASP 121 119 119 ASP ASP AAA . n 
A 1 122 HIS 122 120 120 HIS HIS AAA . n 
A 1 123 PHE 123 121 121 PHE PHE AAA . n 
A 1 124 LYS 124 122 122 LYS LYS AAA . n 
A 1 125 PRO 125 123 123 PRO PRO AAA . n 
A 1 126 LEU 126 124 124 LEU LEU AAA . n 
A 1 127 TRP 127 125 125 TRP TRP AAA . n 
A 1 128 ALA 128 126 126 ALA ALA AAA . n 
A 1 129 ARG 129 127 127 ARG ARG AAA . n 
A 1 130 ASN 130 128 128 ASN ASN AAA . n 
A 1 131 VAL 131 129 129 VAL VAL AAA . n 
A 1 132 PRO 132 130 130 PRO PRO AAA . n 
A 1 133 LYS 133 131 131 LYS LYS AAA . n 
A 1 134 PHE 134 132 132 PHE PHE AAA . n 
A 1 135 GLY 135 133 133 GLY GLY AAA . n 
A 1 136 LEU 136 134 134 LEU LEU AAA . n 
A 1 137 ALA 137 135 135 ALA ALA AAA . n 
A 1 138 HIS 138 136 136 HIS HIS AAA . n 
A 1 139 LEU 139 137 137 LEU LEU AAA . n 
A 1 140 MET 140 138 138 MET MET AAA . n 
A 1 141 ALA 141 139 139 ALA ALA AAA . n 
A 1 142 LEU 142 140 140 LEU LEU AAA . n 
A 1 143 GLY 143 141 141 GLY GLY AAA . n 
A 1 144 LEU 144 142 142 LEU LEU AAA . n 
A 1 145 GLY 145 143 143 GLY GLY AAA . n 
A 1 146 PRO 146 144 144 PRO PRO AAA . n 
A 1 147 TRP 147 145 145 TRP TRP AAA . n 
A 1 148 LEU 148 146 146 LEU LEU AAA . n 
A 1 149 ALA 149 147 147 ALA ALA AAA . n 
A 1 150 VAL 150 148 148 VAL VAL AAA . n 
A 1 151 GLU 151 149 149 GLU GLU AAA . n 
A 1 152 ILE 152 150 150 ILE ILE AAA . n 
A 1 153 PRO 153 151 151 PRO PRO AAA . n 
A 1 154 ASP 154 152 152 ASP ASP AAA . n 
A 1 155 LEU 155 153 153 LEU LEU AAA . n 
A 1 156 ILE 156 154 154 ILE ILE AAA . n 
A 1 157 GLN 157 155 155 GLN GLN AAA . n 
A 1 158 LYS 158 156 156 LYS LYS AAA . n 
A 1 159 GLY 159 157 157 GLY GLY AAA . n 
A 1 160 VAL 160 158 158 VAL VAL AAA . n 
A 1 161 ILE 161 159 159 ILE ILE AAA . n 
A 1 162 HIS 162 160 160 HIS HIS AAA . n 
A 1 163 HIS 163 161 161 HIS HIS AAA . n 
A 1 164 LYS 164 162 162 LYS LYS AAA . n 
A 1 165 GLU 165 163 163 GLU GLU AAA . n 
A 1 166 LYS 166 164 164 LYS LYS AAA . n 
A 1 167 CYS 167 165 165 CYS CYS AAA . n 
A 1 168 ASN 168 166 ?   ?   ?   AAA . n 
A 1 169 GLN 169 167 ?   ?   ?   AAA . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 HOH 1   201 133 HOH HOH AAA . 
B 2 HOH 2   202 70  HOH HOH AAA . 
B 2 HOH 3   203 110 HOH HOH AAA . 
B 2 HOH 4   204 131 HOH HOH AAA . 
B 2 HOH 5   205 55  HOH HOH AAA . 
B 2 HOH 6   206 78  HOH HOH AAA . 
B 2 HOH 7   207 23  HOH HOH AAA . 
B 2 HOH 8   208 69  HOH HOH AAA . 
B 2 HOH 9   209 143 HOH HOH AAA . 
B 2 HOH 10  210 18  HOH HOH AAA . 
B 2 HOH 11  211 48  HOH HOH AAA . 
B 2 HOH 12  212 44  HOH HOH AAA . 
B 2 HOH 13  213 67  HOH HOH AAA . 
B 2 HOH 14  214 30  HOH HOH AAA . 
B 2 HOH 15  215 71  HOH HOH AAA . 
B 2 HOH 16  216 86  HOH HOH AAA . 
B 2 HOH 17  217 7   HOH HOH AAA . 
B 2 HOH 18  218 92  HOH HOH AAA . 
B 2 HOH 19  219 15  HOH HOH AAA . 
B 2 HOH 20  220 95  HOH HOH AAA . 
B 2 HOH 21  221 99  HOH HOH AAA . 
B 2 HOH 22  222 139 HOH HOH AAA . 
B 2 HOH 23  223 77  HOH HOH AAA . 
B 2 HOH 24  224 59  HOH HOH AAA . 
B 2 HOH 25  225 31  HOH HOH AAA . 
B 2 HOH 26  226 94  HOH HOH AAA . 
B 2 HOH 27  227 66  HOH HOH AAA . 
B 2 HOH 28  228 38  HOH HOH AAA . 
B 2 HOH 29  229 85  HOH HOH AAA . 
B 2 HOH 30  230 115 HOH HOH AAA . 
B 2 HOH 31  231 98  HOH HOH AAA . 
B 2 HOH 32  232 21  HOH HOH AAA . 
B 2 HOH 33  233 124 HOH HOH AAA . 
B 2 HOH 34  234 29  HOH HOH AAA . 
B 2 HOH 35  235 100 HOH HOH AAA . 
B 2 HOH 36  236 102 HOH HOH AAA . 
B 2 HOH 37  237 116 HOH HOH AAA . 
B 2 HOH 38  238 36  HOH HOH AAA . 
B 2 HOH 39  239 81  HOH HOH AAA . 
B 2 HOH 40  240 17  HOH HOH AAA . 
B 2 HOH 41  241 138 HOH HOH AAA . 
B 2 HOH 42  242 123 HOH HOH AAA . 
B 2 HOH 43  243 135 HOH HOH AAA . 
B 2 HOH 44  244 8   HOH HOH AAA . 
B 2 HOH 45  245 9   HOH HOH AAA . 
B 2 HOH 46  246 34  HOH HOH AAA . 
B 2 HOH 47  247 13  HOH HOH AAA . 
B 2 HOH 48  248 65  HOH HOH AAA . 
B 2 HOH 49  249 64  HOH HOH AAA . 
B 2 HOH 50  250 4   HOH HOH AAA . 
B 2 HOH 51  251 127 HOH HOH AAA . 
B 2 HOH 52  252 11  HOH HOH AAA . 
B 2 HOH 53  253 88  HOH HOH AAA . 
B 2 HOH 54  254 61  HOH HOH AAA . 
B 2 HOH 55  255 87  HOH HOH AAA . 
B 2 HOH 56  256 6   HOH HOH AAA . 
B 2 HOH 57  257 118 HOH HOH AAA . 
B 2 HOH 58  258 12  HOH HOH AAA . 
B 2 HOH 59  259 144 HOH HOH AAA . 
B 2 HOH 60  260 46  HOH HOH AAA . 
B 2 HOH 61  261 83  HOH HOH AAA . 
B 2 HOH 62  262 76  HOH HOH AAA . 
B 2 HOH 63  263 146 HOH HOH AAA . 
B 2 HOH 64  264 130 HOH HOH AAA . 
B 2 HOH 65  265 42  HOH HOH AAA . 
B 2 HOH 66  266 112 HOH HOH AAA . 
B 2 HOH 67  267 24  HOH HOH AAA . 
B 2 HOH 68  268 27  HOH HOH AAA . 
B 2 HOH 69  269 84  HOH HOH AAA . 
B 2 HOH 70  270 53  HOH HOH AAA . 
B 2 HOH 71  271 96  HOH HOH AAA . 
B 2 HOH 72  272 68  HOH HOH AAA . 
B 2 HOH 73  273 43  HOH HOH AAA . 
B 2 HOH 74  274 33  HOH HOH AAA . 
B 2 HOH 75  275 28  HOH HOH AAA . 
B 2 HOH 76  276 90  HOH HOH AAA . 
B 2 HOH 77  277 129 HOH HOH AAA . 
B 2 HOH 78  278 89  HOH HOH AAA . 
B 2 HOH 79  279 75  HOH HOH AAA . 
B 2 HOH 80  280 80  HOH HOH AAA . 
B 2 HOH 81  281 41  HOH HOH AAA . 
B 2 HOH 82  282 3   HOH HOH AAA . 
B 2 HOH 83  283 39  HOH HOH AAA . 
B 2 HOH 84  284 141 HOH HOH AAA . 
B 2 HOH 85  285 25  HOH HOH AAA . 
B 2 HOH 86  286 101 HOH HOH AAA . 
B 2 HOH 87  287 105 HOH HOH AAA . 
B 2 HOH 88  288 16  HOH HOH AAA . 
B 2 HOH 89  289 10  HOH HOH AAA . 
B 2 HOH 90  290 37  HOH HOH AAA . 
B 2 HOH 91  291 22  HOH HOH AAA . 
B 2 HOH 92  292 20  HOH HOH AAA . 
B 2 HOH 93  293 114 HOH HOH AAA . 
B 2 HOH 94  294 50  HOH HOH AAA . 
B 2 HOH 95  295 1   HOH HOH AAA . 
B 2 HOH 96  296 113 HOH HOH AAA . 
B 2 HOH 97  297 2   HOH HOH AAA . 
B 2 HOH 98  298 40  HOH HOH AAA . 
B 2 HOH 99  299 45  HOH HOH AAA . 
B 2 HOH 100 300 14  HOH HOH AAA . 
B 2 HOH 101 301 97  HOH HOH AAA . 
B 2 HOH 102 302 104 HOH HOH AAA . 
B 2 HOH 103 303 111 HOH HOH AAA . 
B 2 HOH 104 304 63  HOH HOH AAA . 
B 2 HOH 105 305 103 HOH HOH AAA . 
B 2 HOH 106 306 91  HOH HOH AAA . 
B 2 HOH 107 307 74  HOH HOH AAA . 
B 2 HOH 108 308 5   HOH HOH AAA . 
B 2 HOH 109 309 57  HOH HOH AAA . 
B 2 HOH 110 310 108 HOH HOH AAA . 
B 2 HOH 111 311 49  HOH HOH AAA . 
B 2 HOH 112 312 73  HOH HOH AAA . 
B 2 HOH 113 313 79  HOH HOH AAA . 
B 2 HOH 114 314 60  HOH HOH AAA . 
B 2 HOH 115 315 56  HOH HOH AAA . 
B 2 HOH 116 316 107 HOH HOH AAA . 
B 2 HOH 117 317 140 HOH HOH AAA . 
B 2 HOH 118 318 32  HOH HOH AAA . 
B 2 HOH 119 319 26  HOH HOH AAA . 
B 2 HOH 120 320 58  HOH HOH AAA . 
B 2 HOH 121 321 35  HOH HOH AAA . 
B 2 HOH 122 322 62  HOH HOH AAA . 
B 2 HOH 123 323 106 HOH HOH AAA . 
B 2 HOH 124 324 142 HOH HOH AAA . 
B 2 HOH 125 325 122 HOH HOH AAA . 
B 2 HOH 126 326 120 HOH HOH AAA . 
B 2 HOH 127 327 19  HOH HOH AAA . 
B 2 HOH 128 328 52  HOH HOH AAA . 
B 2 HOH 129 329 125 HOH HOH AAA . 
B 2 HOH 130 330 149 HOH HOH AAA . 
B 2 HOH 131 331 47  HOH HOH AAA . 
B 2 HOH 132 332 121 HOH HOH AAA . 
B 2 HOH 133 333 109 HOH HOH AAA . 
B 2 HOH 134 334 137 HOH HOH AAA . 
B 2 HOH 135 335 82  HOH HOH AAA . 
B 2 HOH 136 336 119 HOH HOH AAA . 
B 2 HOH 137 337 150 HOH HOH AAA . 
B 2 HOH 138 338 117 HOH HOH AAA . 
B 2 HOH 139 339 54  HOH HOH AAA . 
B 2 HOH 140 340 136 HOH HOH AAA . 
B 2 HOH 141 341 147 HOH HOH AAA . 
B 2 HOH 142 342 51  HOH HOH AAA . 
B 2 HOH 143 343 132 HOH HOH AAA . 
B 2 HOH 144 344 126 HOH HOH AAA . 
B 2 HOH 145 345 145 HOH HOH AAA . 
B 2 HOH 146 346 148 HOH HOH AAA . 
B 2 HOH 147 347 128 HOH HOH AAA . 
B 2 HOH 148 348 134 HOH HOH AAA . 
B 2 HOH 149 349 152 HOH HOH AAA . 
B 2 HOH 150 350 151 HOH HOH AAA . 
B 2 HOH 151 351 93  HOH HOH AAA . 
B 2 HOH 152 352 153 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 162 ? CG  ? A LYS 164 CG  
6  1 Y 1 AAA LYS 162 ? CD  ? A LYS 164 CD  
7  1 Y 1 AAA LYS 162 ? CE  ? A LYS 164 CE  
8  1 Y 1 AAA LYS 162 ? NZ  ? A LYS 164 NZ  
9  1 Y 1 AAA LYS 164 ? CG  ? A LYS 166 CG  
10 1 Y 1 AAA LYS 164 ? CD  ? A LYS 166 CD  
11 1 Y 1 AAA LYS 164 ? CE  ? A LYS 166 CE  
12 1 Y 1 AAA LYS 164 ? NZ  ? A LYS 166 NZ  
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0267 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? XSCALE ? ? ? .        3 
# 
_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                     9GLL 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     47.200 
_cell.length_a_esd                 ? 
_cell.length_b                     47.200 
_cell.length_b_esd                 ? 
_cell.length_c                     142.800 
_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                         9GLL 
_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                   9GLL 
_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          39.21 
_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              9.0 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '1.4M Sodium potassium monobasic monohydrate/Potassium phosphate dibasic pH 9.0' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     298 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS 200K' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2022-12-20 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.54187 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      'ROTATING ANODE' 
_diffrn_source.target                      ? 
_diffrn_source.type                        RIGAKU 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.54187 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_synchrotron_site       ? 
# 
_reflns.B_iso_Wilson_estimate                          11.53 
_reflns.entry_id                                       9GLL 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.65 
_reflns.d_resolution_low                               44.82 
_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                                     20255 
_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                           99.58 
_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                          12.61 
_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                                0.06703 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.998 
_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                                    1.65 
_reflns_shell.d_res_low                                     1.709 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           1.61 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1959 
_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                               1.9 
_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                               0.594 
_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                                  0.664 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          98.49 
_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]                            -0.423 
_refine.aniso_B[1][2]                            0.000 
_refine.aniso_B[1][3]                            0.000 
_refine.aniso_B[2][2]                            -0.423 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            0.845 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               13.882 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.945 
_refine.correlation_coeff_Fo_to_Fc_free          0.926 
_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                                 9GLL 
_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                            1.650 
_refine.ls_d_res_low                             44.815 
_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                     20252 
_refine.ls_number_reflns_R_free                  1031 
_refine.ls_number_reflns_R_work                  19221 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.577 
_refine.ls_percent_reflns_R_free                 5.091 
_refine.ls_R_factor_all                          0.204 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2310 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2030 
_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                       0.119 
_refine.pdbx_overall_ESU_R_Free                  0.111 
_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                             2.569 
_refine.overall_SU_ML                            0.084 
_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        1352 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         0 
_refine_hist.number_atoms_solvent             152 
_refine_hist.number_atoms_total               1504 
_refine_hist.d_res_high                       1.650 
_refine_hist.d_res_low                        44.815 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.011  0.013  1469 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.015  1373 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.680  1.646  2003 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 1.429  1.584  3174 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 6.789  5.000  180  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 34.205 22.024 84   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 14.132 15.000 253  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 14.691 15.000 11   ? r_dihedral_angle_4_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.086  0.200  182  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.009  0.020  1687 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.002  0.020  351  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.207  0.200  292  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.184  0.200  1202 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.171  0.200  696  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.079  0.200  615  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.156  0.200  93   ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.121  0.200  1    ? r_symmetry_xyhbond_nbd_other   ? ? 
'X-RAY DIFFRACTION' ? 0.295  0.200  25   ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.254  0.200  70   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.342  0.200  23   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 1.325  1.266  702  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.245  1.261  701  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.058  1.885  888  ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 2.063  1.889  889  ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 2.085  1.493  767  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.074  1.493  767  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 3.235  2.137  1114 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.238  2.138  1115 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 5.331  23.907 6130 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 4.991  23.363 5998 ? 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' 1.650 1.693  . . 71 1389 98.5820  . . . . 0.286 . . . . . . . . . . . 0.290 
'X-RAY DIFFRACTION' 1.693 1.739  . . 62 1330 98.5836  . . . . 0.259 . . . . . . . . . . . 0.259 
'X-RAY DIFFRACTION' 1.739 1.789  . . 85 1299 99.2115  . . . . 0.245 . . . . . . . . . . . 0.256 
'X-RAY DIFFRACTION' 1.789 1.844  . . 72 1269 99.4070  . . . . 0.232 . . . . . . . . . . . 0.313 
'X-RAY DIFFRACTION' 1.844 1.905  . . 73 1235 99.4677  . . . . 0.226 . . . . . . . . . . . 0.226 
'X-RAY DIFFRACTION' 1.905 1.972  . . 61 1218 99.7660  . . . . 0.220 . . . . . . . . . . . 0.259 
'X-RAY DIFFRACTION' 1.972 2.046  . . 64 1160 99.8369  . . . . 0.209 . . . . . . . . . . . 0.278 
'X-RAY DIFFRACTION' 2.046 2.129  . . 68 1113 99.9154  . . . . 0.189 . . . . . . . . . . . 0.251 
'X-RAY DIFFRACTION' 2.129 2.224  . . 62 1091 100.0000 . . . . 0.172 . . . . . . . . . . . 0.196 
'X-RAY DIFFRACTION' 2.224 2.332  . . 61 1022 100.0000 . . . . 0.187 . . . . . . . . . . . 0.222 
'X-RAY DIFFRACTION' 2.332 2.458  . . 56 998  100.0000 . . . . 0.180 . . . . . . . . . . . 0.180 
'X-RAY DIFFRACTION' 2.458 2.606  . . 41 949  100.0000 . . . . 0.181 . . . . . . . . . . . 0.230 
'X-RAY DIFFRACTION' 2.606 2.786  . . 44 915  99.8958  . . . . 0.198 . . . . . . . . . . . 0.274 
'X-RAY DIFFRACTION' 2.786 3.008  . . 36 834  100.0000 . . . . 0.207 . . . . . . . . . . . 0.231 
'X-RAY DIFFRACTION' 3.008 3.293  . . 37 776  100.0000 . . . . 0.205 . . . . . . . . . . . 0.225 
'X-RAY DIFFRACTION' 3.293 3.680  . . 37 714  99.7344  . . . . 0.195 . . . . . . . . . . . 0.215 
'X-RAY DIFFRACTION' 3.680 4.244  . . 33 642  99.7046  . . . . 0.168 . . . . . . . . . . . 0.223 
'X-RAY DIFFRACTION' 4.244 5.186  . . 36 538  99.8261  . . . . 0.166 . . . . . . . . . . . 0.172 
'X-RAY DIFFRACTION' 5.186 7.286  . . 16 445  99.3534  . . . . 0.201 . . . . . . . . . . . 0.238 
'X-RAY DIFFRACTION' 7.286 44.815 . . 16 284  98.6842  . . . . 0.222 . . . . . . . . . . . 0.194 
# 
_struct.entry_id                     9GLL 
_struct.title                        'Crystal Structure of UFC1 T106L' 
_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        9GLL 
_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              9GLL 
_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 9GLL GLY AAA 1   ? UNP Q9Y3C8 ?   ?   'expression tag'      -1  1 
1 9GLL SER AAA 2   ? UNP Q9Y3C8 ?   ?   'expression tag'      0   2 
1 9GLL LEU AAA 108 ? UNP Q9Y3C8 THR 106 'engineered mutation' 106 3 
1 9GLL 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 ASP A 26  ? ALA A 51  ? ASP AAA 24  ALA AAA 49  1 ? 26 
HELX_P HELX_P3 AA3 VAL A 101 ? ASP A 105 ? VAL AAA 99  ASP AAA 103 5 ? 5  
HELX_P HELX_P4 AA4 HIS A 122 ? VAL A 131 ? HIS AAA 120 VAL AAA 129 1 ? 10 
HELX_P HELX_P5 AA5 GLY A 135 ? GLY A 143 ? GLY AAA 133 GLY AAA 141 1 ? 9  
HELX_P HELX_P6 AA6 GLY A 143 ? LYS A 158 ? GLY AAA 141 LYS AAA 156 1 ? 16 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_conn.id                            disulf1 
_struct_conn.conn_type_id                  disulf 
_struct_conn.pdbx_leaving_atom_flag        ? 
_struct_conn.pdbx_PDB_id                   ? 
_struct_conn.ptnr1_label_asym_id           A 
_struct_conn.ptnr1_label_comp_id           CYS 
_struct_conn.ptnr1_label_seq_id            118 
_struct_conn.ptnr1_label_atom_id           SG 
_struct_conn.pdbx_ptnr1_label_alt_id       ? 
_struct_conn.pdbx_ptnr1_PDB_ins_code       ? 
_struct_conn.pdbx_ptnr1_standard_comp_id   ? 
_struct_conn.ptnr1_symmetry                1_555 
_struct_conn.ptnr2_label_asym_id           A 
_struct_conn.ptnr2_label_comp_id           CYS 
_struct_conn.ptnr2_label_seq_id            167 
_struct_conn.ptnr2_label_atom_id           SG 
_struct_conn.pdbx_ptnr2_label_alt_id       ? 
_struct_conn.pdbx_ptnr2_PDB_ins_code       ? 
_struct_conn.ptnr1_auth_asym_id            AAA 
_struct_conn.ptnr1_auth_comp_id            CYS 
_struct_conn.ptnr1_auth_seq_id             116 
_struct_conn.ptnr2_auth_asym_id            AAA 
_struct_conn.ptnr2_auth_comp_id            CYS 
_struct_conn.ptnr2_auth_seq_id             165 
_struct_conn.ptnr2_symmetry                4_454 
_struct_conn.pdbx_ptnr3_label_atom_id      ? 
_struct_conn.pdbx_ptnr3_label_seq_id       ? 
_struct_conn.pdbx_ptnr3_label_comp_id      ? 
_struct_conn.pdbx_ptnr3_label_asym_id      ? 
_struct_conn.pdbx_ptnr3_label_alt_id       ? 
_struct_conn.pdbx_ptnr3_PDB_ins_code       ? 
_struct_conn.details                       ? 
_struct_conn.pdbx_dist_value               2.088 
_struct_conn.pdbx_value_order              ? 
_struct_conn.pdbx_role                     ? 
# 
_struct_conn_type.id          disulf 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
_pdbx_modification_feature.ordinal                            1 
_pdbx_modification_feature.label_comp_id                      CYS 
_pdbx_modification_feature.label_asym_id                      A 
_pdbx_modification_feature.label_seq_id                       118 
_pdbx_modification_feature.label_alt_id                       ? 
_pdbx_modification_feature.modified_residue_label_comp_id     CYS 
_pdbx_modification_feature.modified_residue_label_asym_id     A 
_pdbx_modification_feature.modified_residue_label_seq_id      167 
_pdbx_modification_feature.modified_residue_label_alt_id      ? 
_pdbx_modification_feature.auth_comp_id                       CYS 
_pdbx_modification_feature.auth_asym_id                       AAA 
_pdbx_modification_feature.auth_seq_id                        116 
_pdbx_modification_feature.PDB_ins_code                       ? 
_pdbx_modification_feature.symmetry                           1_555 
_pdbx_modification_feature.modified_residue_auth_comp_id      CYS 
_pdbx_modification_feature.modified_residue_auth_asym_id      AAA 
_pdbx_modification_feature.modified_residue_auth_seq_id       165 
_pdbx_modification_feature.modified_residue_PDB_ins_code      ? 
_pdbx_modification_feature.modified_residue_symmetry          4_454 
_pdbx_modification_feature.comp_id_linking_atom               SG 
_pdbx_modification_feature.modified_residue_id_linking_atom   SG 
_pdbx_modification_feature.modified_residue_id                . 
_pdbx_modification_feature.ref_pcm_id                         . 
_pdbx_modification_feature.ref_comp_id                        . 
_pdbx_modification_feature.type                               None 
_pdbx_modification_feature.category                           'Disulfide bridge' 
# 
loop_
_struct_mon_prot_cis.pdbx_id 
_struct_mon_prot_cis.label_comp_id 
_struct_mon_prot_cis.label_seq_id 
_struct_mon_prot_cis.label_asym_id 
_struct_mon_prot_cis.label_alt_id 
_struct_mon_prot_cis.pdbx_PDB_ins_code 
_struct_mon_prot_cis.auth_comp_id 
_struct_mon_prot_cis.auth_seq_id 
_struct_mon_prot_cis.auth_asym_id 
_struct_mon_prot_cis.pdbx_label_comp_id_2 
_struct_mon_prot_cis.pdbx_label_seq_id_2 
_struct_mon_prot_cis.pdbx_label_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2 
_struct_mon_prot_cis.pdbx_auth_comp_id_2 
_struct_mon_prot_cis.pdbx_auth_seq_id_2 
_struct_mon_prot_cis.pdbx_auth_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_model_num 
_struct_mon_prot_cis.pdbx_omega_angle 
1 TYR 92  A . ? TYR 90  AAA PRO 93  A ? PRO 91  AAA 1 0.23  
2 VAL 131 A . ? VAL 129 AAA PRO 132 A ? PRO 130 AAA 1 -3.93 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   3 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 PHE A 56 ? SER A 60 ? PHE AAA 54 SER AAA 58 
AA1 2 ARG A 66 ? HIS A 75 ? ARG AAA 64 HIS AAA 73 
AA1 3 LEU A 78 ? ASP A 87 ? LEU AAA 76 ASP AAA 85 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N GLU A 59 ? N GLU AAA 57 O PHE A 68 ? O PHE AAA 66 
AA1 2 3 N TYR A 73 ? N TYR AAA 71 O TYR A 80 ? O TYR AAA 78 
# 
_pdbx_entry_details.entry_id                   9GLL 
_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   Y 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   O 
_pdbx_validate_close_contact.auth_asym_id_1   AAA 
_pdbx_validate_close_contact.auth_comp_id_1   HOH 
_pdbx_validate_close_contact.auth_seq_id_1    222 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   O 
_pdbx_validate_close_contact.auth_asym_id_2   AAA 
_pdbx_validate_close_contact.auth_comp_id_2   HOH 
_pdbx_validate_close_contact.auth_seq_id_2    328 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             1.97 
# 
_pdbx_validate_rmsd_bond.id                        1 
_pdbx_validate_rmsd_bond.PDB_model_num             1 
_pdbx_validate_rmsd_bond.auth_atom_id_1            CD 
_pdbx_validate_rmsd_bond.auth_asym_id_1            AAA 
_pdbx_validate_rmsd_bond.auth_comp_id_1            GLU 
_pdbx_validate_rmsd_bond.auth_seq_id_1             61 
_pdbx_validate_rmsd_bond.PDB_ins_code_1            ? 
_pdbx_validate_rmsd_bond.label_alt_id_1            A 
_pdbx_validate_rmsd_bond.auth_atom_id_2            OE2 
_pdbx_validate_rmsd_bond.auth_asym_id_2            AAA 
_pdbx_validate_rmsd_bond.auth_comp_id_2            GLU 
_pdbx_validate_rmsd_bond.auth_seq_id_2             61 
_pdbx_validate_rmsd_bond.PDB_ins_code_2            ? 
_pdbx_validate_rmsd_bond.label_alt_id_2            A 
_pdbx_validate_rmsd_bond.bond_value                1.363 
_pdbx_validate_rmsd_bond.bond_target_value         1.252 
_pdbx_validate_rmsd_bond.bond_deviation            0.111 
_pdbx_validate_rmsd_bond.bond_standard_deviation   0.011 
_pdbx_validate_rmsd_bond.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 ? ? -132.93 -43.82  
2 1 ARG AAA 25 ? ? 58.30   -126.56 
# 
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 257 ? B HOH . 
2 1 AAA HOH 297 ? 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 ASN 166 ? A ASN 168 
3 1 Y 1 AAA GLN 167 ? A GLN 169 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
GLN N    N N N 88  
GLN CA   C N S 89  
GLN C    C N N 90  
GLN O    O N N 91  
GLN CB   C N N 92  
GLN CG   C N N 93  
GLN CD   C N N 94  
GLN OE1  O N N 95  
GLN NE2  N N N 96  
GLN OXT  O N N 97  
GLN H    H N N 98  
GLN H2   H N N 99  
GLN HA   H N N 100 
GLN HB2  H N N 101 
GLN HB3  H N N 102 
GLN HG2  H N N 103 
GLN HG3  H N N 104 
GLN HE21 H N N 105 
GLN HE22 H N N 106 
GLN HXT  H N N 107 
GLU N    N N N 108 
GLU CA   C N S 109 
GLU C    C N N 110 
GLU O    O N N 111 
GLU CB   C N N 112 
GLU CG   C N N 113 
GLU CD   C N N 114 
GLU OE1  O N N 115 
GLU OE2  O N N 116 
GLU OXT  O N N 117 
GLU H    H N N 118 
GLU H2   H N N 119 
GLU HA   H N N 120 
GLU HB2  H N N 121 
GLU HB3  H N N 122 
GLU HG2  H N N 123 
GLU HG3  H N N 124 
GLU HE2  H N N 125 
GLU HXT  H N N 126 
GLY N    N N N 127 
GLY CA   C N N 128 
GLY C    C N N 129 
GLY O    O N N 130 
GLY OXT  O N N 131 
GLY H    H N N 132 
GLY H2   H N N 133 
GLY HA2  H N N 134 
GLY HA3  H N N 135 
GLY HXT  H N N 136 
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                    9GLL 
_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]   0.021186 
_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]   0.021186 
_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]   0.007003 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.pdbx_scat_Z 
_atom_type.pdbx_N_electrons 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
C 6  6  2.310  20.844 1.020 10.208 1.589 0.569  0.865 51.651 0.216   
H 1  1  0.493  10.511 0.323 26.126 0.140 3.142  0.041 57.800 0.003   
N 7  7  12.222 0.006  3.135 9.893  2.014 28.997 1.167 0.583  -11.538 
O 8  8  3.049  13.277 2.287 5.701  1.546 0.324  0.867 32.909 0.251   
S 16 16 6.905  1.468  5.203 22.215 1.438 0.254  1.586 56.172 1.184   
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
_atom_site.calc_flag 
ATOM   1    N N   . SER A 1 2   ? 22.631  24.049  5.406  1.000 30.836 0 0   SER AAA N   1 ? 
ATOM   2    C CA  . SER A 1 2   ? 21.253  24.546  5.692  1.000 28.225 0 0   SER AAA CA  1 ? 
ATOM   3    C C   . SER A 1 2   ? 21.045  24.728  7.204  1.000 24.145 0 0   SER AAA C   1 ? 
ATOM   4    O O   . SER A 1 2   ? 21.351  23.758  7.964  1.000 20.578 0 0   SER AAA O   1 ? 
ATOM   5    C CB  . SER A 1 2   ? 20.248  23.575  5.122  1.000 29.207 0 0   SER AAA CB  1 ? 
ATOM   6    O OG  . SER A 1 2   ? 18.938  23.979  5.416  1.000 33.168 0 0   SER AAA OG  1 ? 
ATOM   7    N N   . MET A 1 3   ? 20.527  25.890  7.636  1.000 21.449 0 1   MET AAA N   1 ? 
ATOM   8    C CA  . MET A 1 3   ? 20.032  26.046  9.033  1.000 15.308 0 1   MET AAA CA  1 ? 
ATOM   9    C C   . MET A 1 3   ? 18.909  25.034  9.250  1.000 13.947 0 1   MET AAA C   1 ? 
ATOM   10   O O   . MET A 1 3   ? 18.899  24.442  10.324 1.000 13.607 0 1   MET AAA O   1 ? 
ATOM   11   C CB  . MET A 1 3   ? 19.500  27.447  9.374  1.000 14.759 0 1   MET AAA CB  1 ? 
ATOM   12   C CG  . MET A 1 3   ? 20.603  28.416  9.730  1.000 14.673 0 1   MET AAA CG  1 ? 
ATOM   13   S SD  . MET A 1 3   ? 20.039  29.989  10.421 1.000 13.699 0 1   MET AAA SD  1 ? 
ATOM   14   C CE  . MET A 1 3   ? 19.583  29.518  12.080 1.000 12.782 0 1   MET AAA CE  1 ? 
ATOM   15   N N   . ALA A 1 4   ? 18.016  24.829  8.262  1.000 12.519 0 2   ALA AAA N   1 ? 
ATOM   16   C CA  . ALA A 1 4   ? 16.849  23.921  8.417  1.000 12.087 0 2   ALA AAA CA  1 ? 
ATOM   17   C C   . ALA A 1 4   ? 17.343  22.499  8.654  1.000 11.826 0 2   ALA AAA C   1 ? 
ATOM   18   O O   . ALA A 1 4   ? 16.829  21.815  9.532  1.000 10.132 0 2   ALA AAA O   1 ? 
ATOM   19   C CB  . ALA A 1 4   ? 15.898  23.991  7.222  1.000 12.617 0 2   ALA AAA CB  1 ? 
ATOM   20   N N   . ASP A 1 5   ? 18.326  22.059  7.883  1.000 12.002 0 3   ASP AAA N   1 ? 
ATOM   21   C CA  . ASP A 1 5   ? 18.780  20.656  8.003  1.000 12.616 0 3   ASP AAA CA  1 ? 
ATOM   22   C C   . ASP A 1 5   ? 19.395  20.430  9.381  1.000 10.743 0 3   ASP AAA C   1 ? 
ATOM   23   O O   . ASP A 1 5   ? 19.163  19.385  9.931  1.000 10.870 0 3   ASP AAA O   1 ? 
ATOM   24   C CB  . ASP A 1 5   ? 19.782  20.292  6.927  1.000 14.177 0 3   ASP AAA CB  1 ? 
ATOM   25   C CG  . ASP A 1 5   ? 19.107  20.185  5.576  1.000 17.335 0 3   ASP AAA CG  1 ? 
ATOM   26   O OD1 . ASP A 1 5   ? 17.873  20.216  5.542  1.000 19.309 0 3   ASP AAA OD1 1 ? 
ATOM   27   O OD2 . ASP A 1 5   ? 19.836  20.113  4.589  1.000 20.565 0 3   ASP AAA OD2 1 ? 
ATOM   28   N N   . GLU A 1 6   ? 20.196  21.371  9.862  1.000 10.725 0 4   GLU AAA N   1 ? 
ATOM   29   C CA  . GLU A 1 6   ? 20.849  21.229  11.188 1.000 10.473 0 4   GLU AAA CA  1 ? 
ATOM   30   C C   . GLU A 1 6   ? 19.797  21.310  12.297 1.000 9.188  0 4   GLU AAA C   1 ? 
ATOM   31   O O   . GLU A 1 6   ? 19.905  20.532  13.272 1.000 9.212  0 4   GLU AAA O   1 ? 
ATOM   32   C CB  . GLU A 1 6   ? 21.910  22.305  11.388 1.000 10.565 0 4   GLU AAA CB  1 ? 
ATOM   33   C CG  . GLU A 1 6   ? 22.610  22.211  12.735 1.000 10.886 0 4   GLU AAA CG  1 ? 
ATOM   34   C CD  . GLU A 1 6   ? 23.469  20.971  12.949 1.000 12.556 0 4   GLU AAA CD  1 ? 
ATOM   35   O OE1 . GLU A 1 6   ? 23.698  20.228  11.959 1.000 14.210 0 4   GLU AAA OE1 1 ? 
ATOM   36   O OE2 . GLU A 1 6   ? 23.869  20.722  14.112 1.000 13.954 0 4   GLU AAA OE2 1 ? 
ATOM   37   N N   . ALA A 1 7   ? 18.819  22.219  12.183 1.000 8.838  0 5   ALA AAA N   1 ? 
ATOM   38   C CA  . ALA A 1 7   ? 17.808  22.349  13.241 1.000 9.114  0 5   ALA AAA CA  1 ? 
ATOM   39   C C   . ALA A 1 7   ? 17.045  21.020  13.337 1.000 9.734  0 5   ALA AAA C   1 ? 
ATOM   40   O O   . ALA A 1 7   ? 16.751  20.538  14.466 1.000 10.081 0 5   ALA AAA O   1 ? 
ATOM   41   C CB  . ALA A 1 7   ? 16.915  23.500  12.922 1.000 9.413  0 5   ALA AAA CB  1 ? 
ATOM   42   N N   . THR A 1 8   ? 16.716  20.438  12.188 1.000 9.900  0 6   THR AAA N   1 ? 
ATOM   43   C CA  . THR A 1 8   ? 15.967  19.160  12.155 1.000 10.824 0 6   THR AAA CA  1 ? 
ATOM   44   C C   . THR A 1 8   ? 16.781  18.069  12.839 1.000 10.626 0 6   THR AAA C   1 ? 
ATOM   45   O O   . THR A 1 8   ? 16.222  17.353  13.684 1.000 10.504 0 6   THR AAA O   1 ? 
ATOM   46   C CB  . THR A 1 8   ? 15.680  18.727  10.724 1.000 11.559 0 6   THR AAA CB  1 ? 
ATOM   47   O OG1 . THR A 1 8   ? 14.816  19.759  10.233 1.000 11.962 0 6   THR AAA OG1 1 ? 
ATOM   48   C CG2 . THR A 1 8   ? 15.037  17.360  10.673 1.000 12.218 0 6   THR AAA CG2 1 ? 
ATOM   49   N N   A ARG A 1 9   ? 18.054  17.943  12.454 0.500 10.870 0 7   ARG AAA N   1 ? 
ATOM   50   N N   B ARG A 1 9   ? 18.059  17.929  12.462 0.500 9.982  0 7   ARG AAA N   1 ? 
ATOM   51   C CA  A ARG A 1 9   ? 18.989  16.933  12.993 0.500 11.328 0 7   ARG AAA CA  1 ? 
ATOM   52   C CA  B ARG A 1 9   ? 18.966  16.902  13.025 0.500 9.881  0 7   ARG AAA CA  1 ? 
ATOM   53   C C   A ARG A 1 9   ? 19.068  17.100  14.513 0.500 10.794 0 7   ARG AAA C   1 ? 
ATOM   54   C C   B ARG A 1 9   ? 19.047  17.094  14.537 0.500 9.958  0 7   ARG AAA C   1 ? 
ATOM   55   O O   A ARG A 1 9   ? 19.000  16.094  15.207 0.500 10.754 0 7   ARG AAA O   1 ? 
ATOM   56   O O   B ARG A 1 9   ? 18.990  16.100  15.247 0.500 9.973  0 7   ARG AAA O   1 ? 
ATOM   57   C CB  A ARG A 1 9   ? 20.343  17.075  12.295 0.500 12.967 0 7   ARG AAA CB  1 ? 
ATOM   58   C CB  B ARG A 1 9   ? 20.369  16.987  12.422 0.500 10.170 0 7   ARG AAA CB  1 ? 
ATOM   59   C CG  A ARG A 1 9   ? 21.414  16.135  12.824 0.500 14.313 0 7   ARG AAA CG  1 ? 
ATOM   60   C CG  B ARG A 1 9   ? 20.491  16.471  11.000 0.500 10.226 0 7   ARG AAA CG  1 ? 
ATOM   61   C CD  A ARG A 1 9   ? 22.831  16.569  12.500 0.500 15.573 0 7   ARG AAA CD  1 ? 
ATOM   62   C CD  B ARG A 1 9   ? 21.941  16.444  10.549 0.500 9.914  0 7   ARG AAA CD  1 ? 
ATOM   63   N NE  A ARG A 1 9   ? 23.356  17.580  13.402 0.500 16.192 0 7   ARG AAA NE  1 ? 
ATOM   64   N NE  B ARG A 1 9   ? 22.585  17.753  10.483 0.500 10.381 0 7   ARG AAA NE  1 ? 
ATOM   65   C CZ  A ARG A 1 9   ? 23.506  17.443  14.712 0.500 16.313 0 7   ARG AAA CZ  1 ? 
ATOM   66   C CZ  B ARG A 1 9   ? 22.730  18.430  9.366  0.500 9.416  0 7   ARG AAA CZ  1 ? 
ATOM   67   N NH1 A ARG A 1 9   ? 23.152  16.314  15.302 0.500 18.850 0 7   ARG AAA NH1 1 ? 
ATOM   68   N NH1 B ARG A 1 9   ? 22.262  17.912  8.247  0.500 9.511  0 7   ARG AAA NH1 1 ? 
ATOM   69   N NH2 A ARG A 1 9   ? 23.976  18.450  15.422 0.500 17.033 0 7   ARG AAA NH2 1 ? 
ATOM   70   N NH2 B ARG A 1 9   ? 23.320  19.603  9.368  0.500 9.403  0 7   ARG AAA NH2 1 ? 
ATOM   71   N N   . ARG A 1 10  ? 19.174  18.334  15.014 1.000 10.302 0 8   ARG AAA N   1 ? 
ATOM   72   C CA  . ARG A 1 10  ? 19.324  18.589  16.469 1.000 10.554 0 8   ARG AAA CA  1 ? 
ATOM   73   C C   . ARG A 1 10  ? 18.087  18.076  17.199 1.000 11.197 0 8   ARG AAA C   1 ? 
ATOM   74   O O   . ARG A 1 10  ? 18.206  17.575  18.298 1.000 11.824 0 8   ARG AAA O   1 ? 
ATOM   75   C CB  . ARG A 1 10  ? 19.546  20.064  16.785 1.000 10.691 0 8   ARG AAA CB  1 ? 
ATOM   76   C CG  . ARG A 1 10  ? 20.890  20.591  16.291 1.000 11.602 0 8   ARG AAA CG  1 ? 
ATOM   77   C CD  . ARG A 1 10  ? 21.954  20.384  17.332 1.000 11.251 0 8   ARG AAA CD  1 ? 
ATOM   78   N NE  . ARG A 1 10  ? 23.219  20.872  16.820 1.000 11.994 0 8   ARG AAA NE  1 ? 
ATOM   79   C CZ  . ARG A 1 10  ? 24.318  21.068  17.539 1.000 12.643 0 8   ARG AAA CZ  1 ? 
ATOM   80   N NH1 . ARG A 1 10  ? 24.339  20.790  18.834 1.000 12.900 0 8   ARG AAA NH1 1 ? 
ATOM   81   N NH2 . ARG A 1 10  ? 25.403  21.520  16.937 1.000 12.285 0 8   ARG AAA NH2 1 ? 
ATOM   82   N N   . VAL A 1 11  ? 16.918  18.212  16.603 1.000 11.237 0 9   VAL AAA N   1 ? 
ATOM   83   C CA  . VAL A 1 11  ? 15.665  17.724  17.250 1.000 11.872 0 9   VAL AAA CA  1 ? 
ATOM   84   C C   . VAL A 1 11  ? 15.576  16.199  17.159 1.000 11.766 0 9   VAL AAA C   1 ? 
ATOM   85   O O   . VAL A 1 11  ? 15.138  15.568  18.151 1.000 11.333 0 9   VAL AAA O   1 ? 
ATOM   86   C CB  . VAL A 1 11  ? 14.436  18.393  16.625 1.000 12.647 0 9   VAL AAA CB  1 ? 
ATOM   87   C CG1 . VAL A 1 11  ? 13.129  17.810  17.190 1.000 13.316 0 9   VAL AAA CG1 1 ? 
ATOM   88   C CG2 . VAL A 1 11  ? 14.504  19.891  16.833 1.000 13.350 0 9   VAL AAA CG2 1 ? 
ATOM   89   N N   . VAL A 1 12  ? 15.841  15.609  15.998 1.000 11.016 0 10  VAL AAA N   1 ? 
ATOM   90   C CA  . VAL A 1 12  ? 15.450  14.181  15.782 1.000 12.402 0 10  VAL AAA CA  1 ? 
ATOM   91   C C   . VAL A 1 12  ? 16.616  13.190  15.875 1.000 12.105 0 10  VAL AAA C   1 ? 
ATOM   92   O O   . VAL A 1 12  ? 16.334  11.988  15.726 1.000 13.197 0 10  VAL AAA O   1 ? 
ATOM   93   C CB  . VAL A 1 12  ? 14.690  14.002  14.459 1.000 12.451 0 10  VAL AAA CB  1 ? 
ATOM   94   C CG1 . VAL A 1 12  ? 13.509  14.931  14.385 1.000 14.224 0 10  VAL AAA CG1 1 ? 
ATOM   95   C CG2 . VAL A 1 12  ? 15.593  14.149  13.250 1.000 12.761 0 10  VAL AAA CG2 1 ? 
ATOM   96   N N   . SER A 1 13  ? 17.864  13.600  16.092 1.000 12.929 0 11  SER AAA N   1 ? 
ATOM   97   C CA  . SER A 1 13  ? 19.036  12.713  15.819 1.000 13.365 0 11  SER AAA CA  1 ? 
ATOM   98   C C   . SER A 1 13  ? 19.050  11.448  16.714 1.000 13.057 0 11  SER AAA C   1 ? 
ATOM   99   O O   . SER A 1 13  ? 19.709  10.462  16.301 1.000 14.096 0 11  SER AAA O   1 ? 
ATOM   100  C CB  . SER A 1 13  ? 20.339  13.473  15.911 1.000 12.965 0 11  SER AAA CB  1 ? 
ATOM   101  O OG  . SER A 1 13  ? 20.610  13.774  17.269 1.000 15.705 0 11  SER AAA OG  1 ? 
ATOM   102  N N   . GLU A 1 14  ? 18.389  11.439  17.881 1.000 11.559 0 12  GLU AAA N   1 ? 
ATOM   103  C CA  . GLU A 1 14  ? 18.358  10.273  18.818 1.000 11.549 0 12  GLU AAA CA  1 ? 
ATOM   104  C C   . GLU A 1 14  ? 17.045  9.488   18.677 1.000 10.000 0 12  GLU AAA C   1 ? 
ATOM   105  O O   . GLU A 1 14  ? 16.825  8.547   19.457 1.000 9.930  0 12  GLU AAA O   1 ? 
ATOM   106  C CB  . GLU A 1 14  ? 18.559  10.736  20.264 1.000 13.283 0 12  GLU AAA CB  1 ? 
ATOM   107  C CG  . GLU A 1 14  ? 19.870  11.517  20.426 1.000 15.791 0 12  GLU AAA CG  1 ? 
ATOM   108  C CD  . GLU A 1 14  ? 20.301  11.745  21.860 1.000 18.959 0 12  GLU AAA CD  1 ? 
ATOM   109  O OE1 . GLU A 1 14  ? 19.994  12.840  22.389 1.000 20.692 0 12  GLU AAA OE1 1 ? 
ATOM   110  O OE2 . GLU A 1 14  ? 21.000  10.873  22.414 1.000 23.837 0 12  GLU AAA OE2 1 ? 
ATOM   111  N N   . ILE A 1 15  ? 16.176  9.892   17.750 1.000 8.390  0 13  ILE AAA N   1 ? 
ATOM   112  C CA  . ILE A 1 15  ? 14.927  9.156   17.443 1.000 8.417  0 13  ILE AAA CA  1 ? 
ATOM   113  C C   . ILE A 1 15  ? 15.245  8.083   16.394 1.000 8.065  0 13  ILE AAA C   1 ? 
ATOM   114  O O   . ILE A 1 15  ? 15.806  8.411   15.326 1.000 7.742  0 13  ILE AAA O   1 ? 
ATOM   115  C CB  . ILE A 1 15  ? 13.833  10.123  16.979 1.000 8.446  0 13  ILE AAA CB  1 ? 
ATOM   116  C CG1 . ILE A 1 15  ? 13.544  11.203  18.030 1.000 8.740  0 13  ILE AAA CG1 1 ? 
ATOM   117  C CG2 . ILE A 1 15  ? 12.601  9.314   16.564 1.000 8.231  0 13  ILE AAA CG2 1 ? 
ATOM   118  C CD1 . ILE A 1 15  ? 12.539  12.215  17.590 1.000 8.986  0 13  ILE AAA CD1 1 ? 
ATOM   119  N N   . PRO A 1 16  ? 14.902  6.788   16.637 1.000 7.564  0 14  PRO AAA N   1 ? 
ATOM   120  C CA  . PRO A 1 16  ? 15.128  5.736   15.651 1.000 7.601  0 14  PRO AAA CA  1 ? 
ATOM   121  C C   . PRO A 1 16  ? 14.435  6.079   14.332 1.000 7.856  0 14  PRO AAA C   1 ? 
ATOM   122  O O   . PRO A 1 16  ? 13.303  6.544   14.344 1.000 7.134  0 14  PRO AAA O   1 ? 
ATOM   123  C CB  . PRO A 1 16  ? 14.562  4.464   16.295 1.000 7.258  0 14  PRO AAA CB  1 ? 
ATOM   124  C CG  . PRO A 1 16  ? 14.620  4.732   17.787 1.000 7.500  0 14  PRO AAA CG  1 ? 
ATOM   125  C CD  . PRO A 1 16  ? 14.357  6.225   17.878 1.000 7.306  0 14  PRO AAA CD  1 ? 
ATOM   126  N N   . VAL A 1 17  ? 15.159  5.881   13.244 1.000 8.429  0 15  VAL AAA N   1 ? 
ATOM   127  C CA  . VAL A 1 17  ? 14.704  6.170   11.864 1.000 9.339  0 15  VAL AAA CA  1 ? 
ATOM   128  C C   . VAL A 1 17  ? 13.790  5.007   11.470 1.000 8.633  0 15  VAL AAA C   1 ? 
ATOM   129  O O   . VAL A 1 17  ? 14.052  3.854   11.881 1.000 8.474  0 15  VAL AAA O   1 ? 
ATOM   130  C CB  . VAL A 1 17  ? 15.935  6.335   10.945 1.000 11.060 0 15  VAL AAA CB  1 ? 
ATOM   131  C CG1 . VAL A 1 17  ? 15.584  6.342   9.479  1.000 12.327 0 15  VAL AAA CG1 1 ? 
ATOM   132  C CG2 . VAL A 1 17  ? 16.734  7.573   11.314 1.000 12.412 0 15  VAL AAA CG2 1 ? 
ATOM   133  N N   . LEU A 1 18  ? 12.754  5.259   10.690 1.000 8.301  0 16  LEU AAA N   1 ? 
ATOM   134  C CA  . LEU A 1 18  ? 11.884  4.197   10.179 1.000 8.387  0 16  LEU AAA CA  1 ? 
ATOM   135  C C   . LEU A 1 18  ? 12.310  3.847   8.736  1.000 9.112  0 16  LEU AAA C   1 ? 
ATOM   136  O O   . LEU A 1 18  ? 13.077  4.595   8.108  1.000 8.164  0 16  LEU AAA O   1 ? 
ATOM   137  C CB  . LEU A 1 18  ? 10.416  4.648   10.286 1.000 8.888  0 16  LEU AAA CB  1 ? 
ATOM   138  C CG  . LEU A 1 18  ? 9.938   4.743   11.742 1.000 8.658  0 16  LEU AAA CG  1 ? 
ATOM   139  C CD1 . LEU A 1 18  ? 10.221  6.136   12.332 1.000 8.550  0 16  LEU AAA CD1 1 ? 
ATOM   140  C CD2 . LEU A 1 18  ? 8.510   4.333   11.877 1.000 9.072  0 16  LEU AAA CD2 1 ? 
ATOM   141  N N   . LYS A 1 19  ? 11.819  2.732   8.222  1.000 9.588  0 17  LYS AAA N   1 ? 
ATOM   142  C CA  . LYS A 1 19  ? 12.314  2.170   6.936  1.000 10.813 0 17  LYS AAA CA  1 ? 
ATOM   143  C C   . LYS A 1 19  ? 11.148  1.791   6.047  1.000 10.062 0 17  LYS AAA C   1 ? 
ATOM   144  O O   . LYS A 1 19  ? 11.239  2.005   4.830  1.000 10.404 0 17  LYS AAA O   1 ? 
ATOM   145  C CB  . LYS A 1 19  ? 13.174  0.933   7.193  1.000 13.619 0 17  LYS AAA CB  1 ? 
ATOM   146  C CG  . LYS A 1 19  ? 13.470  0.091   5.950  1.000 16.908 0 17  LYS AAA CG  1 ? 
ATOM   147  C CD  . LYS A 1 19  ? 14.148  -1.214  6.282  1.000 20.855 0 17  LYS AAA CD  1 ? 
ATOM   148  C CE  . LYS A 1 19  ? 13.235  -2.412  6.288  1.000 23.110 0 17  LYS AAA CE  1 ? 
ATOM   149  N NZ  . LYS A 1 19  ? 13.333  -3.155  5.023  1.000 21.900 0 17  LYS AAA NZ  1 ? 
ATOM   150  N N   . THR A 1 20  ? 10.109  1.150   6.582  1.000 8.584  0 18  THR AAA N   1 ? 
ATOM   151  C CA  . THR A 1 20  ? 9.189   0.398   5.706  1.000 7.792  0 18  THR AAA CA  1 ? 
ATOM   152  C C   . THR A 1 20  ? 8.182   1.334   5.050  1.000 7.324  0 18  THR AAA C   1 ? 
ATOM   153  O O   . THR A 1 20  ? 7.572   2.101   5.746  1.000 8.449  0 18  THR AAA O   1 ? 
ATOM   154  C CB  . THR A 1 20  ? 8.484   -0.716  6.481  1.000 7.068  0 18  THR AAA CB  1 ? 
ATOM   155  O OG1 . THR A 1 20  ? 9.502   -1.605  6.929  1.000 6.532  0 18  THR AAA OG1 1 ? 
ATOM   156  C CG2 . THR A 1 20  ? 7.474   -1.464  5.644  1.000 7.080  0 18  THR AAA CG2 1 ? 
ATOM   157  N N   A ASN A 1 21  ? 8.032   1.211   3.735  0.500 6.917  0 19  ASN AAA N   1 ? 
ATOM   158  N N   B ASN A 1 21  ? 8.008   1.322   3.723  0.500 8.150  0 19  ASN AAA N   1 ? 
ATOM   159  C CA  A ASN A 1 21  ? 6.952   1.857   2.962  0.500 6.093  0 19  ASN AAA CA  1 ? 
ATOM   160  C CA  B ASN A 1 21  ? 6.921   2.118   3.085  0.500 7.940  0 19  ASN AAA CA  1 ? 
ATOM   161  C C   A ASN A 1 21  ? 5.664   1.054   3.081  0.500 6.731  0 19  ASN AAA C   1 ? 
ATOM   162  C C   B ASN A 1 21  ? 5.660   1.245   3.045  0.500 7.933  0 19  ASN AAA C   1 ? 
ATOM   163  O O   A ASN A 1 21  ? 5.401   0.197   2.206  0.500 6.711  0 19  ASN AAA O   1 ? 
ATOM   164  O O   B ASN A 1 21  ? 5.441   0.520   2.069  0.500 8.243  0 19  ASN AAA O   1 ? 
ATOM   165  C CB  A ASN A 1 21  ? 7.272   1.980   1.479  0.500 5.424  0 19  ASN AAA CB  1 ? 
ATOM   166  C CB  B ASN A 1 21  ? 7.329   2.801   1.762  0.500 8.636  0 19  ASN AAA CB  1 ? 
ATOM   167  C CG  A ASN A 1 21  ? 6.114   2.677   0.826  0.500 4.776  0 19  ASN AAA CG  1 ? 
ATOM   168  C CG  B ASN A 1 21  ? 6.451   4.006   1.460  0.500 8.877  0 19  ASN AAA CG  1 ? 
ATOM   169  O OD1 A ASN A 1 21  ? 5.399   3.405   1.528  0.500 4.330  0 19  ASN AAA OD1 1 ? 
ATOM   170  O OD1 B ASN A 1 21  ? 6.785   5.232   1.677  0.500 8.635  0 19  ASN AAA OD1 1 ? 
ATOM   171  N ND2 A ASN A 1 21  ? 5.871   2.384   -0.447 0.500 4.371  0 19  ASN AAA ND2 1 ? 
ATOM   172  N ND2 B ASN A 1 21  ? 5.259   3.652   1.030  0.500 9.407  0 19  ASN AAA ND2 1 ? 
ATOM   173  N N   . ALA A 1 22  ? 4.889   1.296   4.139  1.000 7.559  0 20  ALA AAA N   1 ? 
ATOM   174  C CA  . ALA A 1 22  ? 3.567   0.665   4.266  1.000 7.585  0 20  ALA AAA CA  1 ? 
ATOM   175  C C   . ALA A 1 22  ? 2.590   1.574   5.000  1.000 7.880  0 20  ALA AAA C   1 ? 
ATOM   176  O O   . ALA A 1 22  ? 2.981   2.273   5.921  1.000 7.017  0 20  ALA AAA O   1 ? 
ATOM   177  C CB  . ALA A 1 22  ? 3.730   -0.659  4.961  1.000 8.437  0 20  ALA AAA CB  1 ? 
ATOM   178  N N   . GLY A 1 23  ? 1.345   1.538   4.550  1.000 8.740  0 21  GLY AAA N   1 ? 
ATOM   179  C CA  . GLY A 1 23  ? 0.182   2.106   5.230  1.000 8.404  0 21  GLY AAA CA  1 ? 
ATOM   180  C C   . GLY A 1 23  ? -0.780  1.011   5.678  1.000 9.198  0 21  GLY AAA C   1 ? 
ATOM   181  O O   . GLY A 1 23  ? -0.533  -0.192  5.544  1.000 9.214  0 21  GLY AAA O   1 ? 
ATOM   182  N N   . PRO A 1 24  ? -1.898  1.457   6.271  1.000 9.946  0 22  PRO AAA N   1 ? 
ATOM   183  C CA  . PRO A 1 24  ? -2.869  0.596   6.945  1.000 11.571 0 22  PRO AAA CA  1 ? 
ATOM   184  C C   . PRO A 1 24  ? -3.377  -0.608  6.135  1.000 12.704 0 22  PRO AAA C   1 ? 
ATOM   185  O O   . PRO A 1 24  ? -3.686  -1.620  6.729  1.000 12.976 0 22  PRO AAA O   1 ? 
ATOM   186  C CB  . PRO A 1 24  ? -4.030  1.570   7.198  1.000 11.494 0 22  PRO AAA CB  1 ? 
ATOM   187  C CG  . PRO A 1 24  ? -3.358  2.898   7.401  1.000 11.173 0 22  PRO AAA CG  1 ? 
ATOM   188  C CD  . PRO A 1 24  ? -2.201  2.892   6.427  1.000 10.270 0 22  PRO AAA CD  1 ? 
ATOM   189  N N   . ARG A 1 25  ? -3.394  -0.510  4.812  1.000 14.388 0 23  ARG AAA N   1 ? 
ATOM   190  C CA  . ARG A 1 25  ? -3.943  -1.606  3.965  1.000 16.766 0 23  ARG AAA CA  1 ? 
ATOM   191  C C   . ARG A 1 25  ? -2.868  -2.632  3.592  1.000 16.519 0 23  ARG AAA C   1 ? 
ATOM   192  O O   . ARG A 1 25  ? -3.194  -3.538  2.835  1.000 14.969 0 23  ARG AAA O   1 ? 
ATOM   193  C CB  . ARG A 1 25  ? -4.554  -1.033  2.687  1.000 20.907 0 23  ARG AAA CB  1 ? 
ATOM   194  C CG  . ARG A 1 25  ? -5.725  -0.080  2.903  1.000 25.900 0 23  ARG AAA CG  1 ? 
ATOM   195  C CD  . ARG A 1 25  ? -6.729  -0.293  1.784  1.000 34.117 0 23  ARG AAA CD  1 ? 
ATOM   196  N NE  . ARG A 1 25  ? -7.275  0.895   1.133  1.000 41.495 0 23  ARG AAA NE  1 ? 
ATOM   197  C CZ  . ARG A 1 25  ? -6.964  1.344   -0.095 1.000 43.084 0 23  ARG AAA CZ  1 ? 
ATOM   198  N NH1 . ARG A 1 25  ? -6.013  0.789   -0.845 1.000 43.740 0 23  ARG AAA NH1 1 ? 
ATOM   199  N NH2 . ARG A 1 25  ? -7.597  2.407   -0.552 1.000 45.025 0 23  ARG AAA NH2 1 ? 
ATOM   200  N N   . ASP A 1 26  ? -1.633  -2.516  4.091  1.000 14.614 0 24  ASP AAA N   1 ? 
ATOM   201  C CA  . ASP A 1 26  ? -0.466  -3.183  3.466  1.000 15.204 0 24  ASP AAA CA  1 ? 
ATOM   202  C C   . ASP A 1 26  ? -0.075  -4.445  4.247  1.000 14.004 0 24  ASP AAA C   1 ? 
ATOM   203  O O   . ASP A 1 26  ? 1.039   -4.897  4.084  1.000 14.061 0 24  ASP AAA O   1 ? 
ATOM   204  C CB  . ASP A 1 26  ? 0.686   -2.186  3.232  1.000 15.222 0 24  ASP AAA CB  1 ? 
ATOM   205  C CG  . ASP A 1 26  ? 0.386   -1.106  2.204  1.000 17.015 0 24  ASP AAA CG  1 ? 
ATOM   206  O OD1 . ASP A 1 26  ? -0.381  -1.382  1.249  1.000 20.764 0 24  ASP AAA OD1 1 ? 
ATOM   207  O OD2 . ASP A 1 26  ? 0.920   -0.008  2.331  1.000 18.267 0 24  ASP AAA OD2 1 ? 
ATOM   208  N N   . ARG A 1 27  ? -0.978  -5.013  5.047  1.000 13.968 0 25  ARG AAA N   1 ? 
ATOM   209  C CA  . ARG A 1 27  ? -0.897  -6.390  5.584  1.000 14.403 0 25  ARG AAA CA  1 ? 
ATOM   210  C C   . ARG A 1 27  ? 0.397   -6.571  6.397  1.000 14.808 0 25  ARG AAA C   1 ? 
ATOM   211  O O   . ARG A 1 27  ? 0.653   -5.768  7.340  1.000 14.161 0 25  ARG AAA O   1 ? 
ATOM   212  C CB  . ARG A 1 27  ? -1.026  -7.406  4.438  1.000 16.615 0 25  ARG AAA CB  1 ? 
ATOM   213  C CG  . ARG A 1 27  ? -2.298  -7.295  3.611  1.000 18.888 0 25  ARG AAA CG  1 ? 
ATOM   214  C CD  . ARG A 1 27  ? -2.067  -7.785  2.190  1.000 20.884 0 25  ARG AAA CD  1 ? 
ATOM   215  N N   . GLU A 1 28  ? 1.198   -7.595  6.073  1.000 14.572 0 26  GLU AAA N   1 ? 
ATOM   216  C CA  . GLU A 1 28  ? 2.410   -7.943  6.852  1.000 14.400 0 26  GLU AAA CA  1 ? 
ATOM   217  C C   . GLU A 1 28  ? 3.390   -6.768  6.813  1.000 12.166 0 26  GLU AAA C   1 ? 
ATOM   218  O O   . GLU A 1 28  ? 4.153   -6.632  7.788  1.000 10.731 0 26  GLU AAA O   1 ? 
ATOM   219  C CB  . GLU A 1 28  ? 3.073   -9.221  6.332  1.000 17.486 0 26  GLU AAA CB  1 ? 
ATOM   220  C CG  . GLU A 1 28  ? 3.635   -9.115  4.925  1.000 18.491 0 26  GLU AAA CG  1 ? 
ATOM   221  C CD  . GLU A 1 28  ? 2.670   -9.073  3.741  1.000 21.442 0 26  GLU AAA CD  1 ? 
ATOM   222  O OE1 . GLU A 1 28  ? 1.485   -9.463  3.895  1.000 21.883 0 26  GLU AAA OE1 1 ? 
ATOM   223  O OE2 . GLU A 1 28  ? 3.126   -8.675  2.656  1.000 24.242 0 26  GLU AAA OE2 1 ? 
ATOM   224  N N   . LEU A 1 29  ? 3.413   -5.974  5.731  1.000 11.195 0 27  LEU AAA N   1 ? 
ATOM   225  C CA  . LEU A 1 29  ? 4.337   -4.799  5.658  1.000 10.191 0 27  LEU AAA CA  1 ? 
ATOM   226  C C   . LEU A 1 29  ? 3.857   -3.719  6.620  1.000 8.595  0 27  LEU AAA C   1 ? 
ATOM   227  O O   . LEU A 1 29  ? 4.678   -2.994  7.179  1.000 7.557  0 27  LEU AAA O   1 ? 
ATOM   228  C CB  . LEU A 1 29  ? 4.417   -4.244  4.225  1.000 11.730 0 27  LEU AAA CB  1 ? 
ATOM   229  C CG  . LEU A 1 29  ? 5.100   -5.167  3.226  1.000 14.270 0 27  LEU AAA CG  1 ? 
ATOM   230  C CD1 . LEU A 1 29  ? 5.004   -4.617  1.806  1.000 15.501 0 27  LEU AAA CD1 1 ? 
ATOM   231  C CD2 . LEU A 1 29  ? 6.540   -5.372  3.628  1.000 14.952 0 27  LEU AAA CD2 1 ? 
ATOM   232  N N   . TRP A 1 30  ? 2.560   -3.606  6.832  1.000 8.063  0 28  TRP AAA N   1 ? 
ATOM   233  C CA  . TRP A 1 30  ? 2.018   -2.619  7.791  1.000 7.975  0 28  TRP AAA CA  1 ? 
ATOM   234  C C   . TRP A 1 30  ? 2.377   -3.037  9.217  1.000 7.866  0 28  TRP AAA C   1 ? 
ATOM   235  O O   . TRP A 1 30  ? 2.762   -2.192  10.003 1.000 7.768  0 28  TRP AAA O   1 ? 
ATOM   236  C CB  . TRP A 1 30  ? 0.513   -2.431  7.609  1.000 8.487  0 28  TRP AAA CB  1 ? 
ATOM   237  C CG  . TRP A 1 30  ? -0.115  -1.530  8.618  1.000 8.209  0 28  TRP AAA CG  1 ? 
ATOM   238  C CD1 . TRP A 1 30  ? -1.163  -1.817  9.433  1.000 8.579  0 28  TRP AAA CD1 1 ? 
ATOM   239  C CD2 . TRP A 1 30  ? 0.277   -0.186  8.930  1.000 8.419  0 28  TRP AAA CD2 1 ? 
ATOM   240  N NE1 . TRP A 1 30  ? -1.469  -0.743  10.223 1.000 9.287  0 28  TRP AAA NE1 1 ? 
ATOM   241  C CE2 . TRP A 1 30  ? -0.589  0.266   9.951  1.000 8.608  0 28  TRP AAA CE2 1 ? 
ATOM   242  C CE3 . TRP A 1 30  ? 1.238   0.689   8.426  1.000 8.212  0 28  TRP AAA CE3 1 ? 
ATOM   243  C CZ2 . TRP A 1 30  ? -0.497  1.548   10.481 1.000 8.453  0 28  TRP AAA CZ2 1 ? 
ATOM   244  C CZ3 . TRP A 1 30  ? 1.329   1.954   8.962  1.000 8.097  0 28  TRP AAA CZ3 1 ? 
ATOM   245  C CH2 . TRP A 1 30  ? 0.472   2.366   9.978  1.000 8.211  0 28  TRP AAA CH2 1 ? 
ATOM   246  N N   . VAL A 1 31  ? 2.285   -4.326  9.530  1.000 8.063  0 29  VAL AAA N   1 ? 
ATOM   247  C CA  . VAL A 1 31  ? 2.652   -4.851  10.873 1.000 8.398  0 29  VAL AAA CA  1 ? 
ATOM   248  C C   . VAL A 1 31  ? 4.123   -4.524  11.141 1.000 7.964  0 29  VAL AAA C   1 ? 
ATOM   249  O O   . VAL A 1 31  ? 4.436   -4.056  12.247 1.000 7.292  0 29  VAL AAA O   1 ? 
ATOM   250  C CB  . VAL A 1 31  ? 2.313   -6.346  10.984 1.000 9.936  0 29  VAL AAA CB  1 ? 
ATOM   251  C CG1 . VAL A 1 31  ? 2.858   -6.936  12.269 1.000 10.697 0 29  VAL AAA CG1 1 ? 
ATOM   252  C CG2 . VAL A 1 31  ? 0.816   -6.564  10.867 1.000 10.296 0 29  VAL AAA CG2 1 ? 
ATOM   253  N N   . GLN A 1 32  ? 4.983   -4.697  10.139 1.000 7.351  0 30  GLN AAA N   1 ? 
ATOM   254  C CA  . GLN A 1 32  ? 6.424   -4.351  10.240 1.000 7.411  0 30  GLN AAA CA  1 ? 
ATOM   255  C C   . GLN A 1 32  ? 6.569   -2.835  10.457 1.000 7.457  0 30  GLN AAA C   1 ? 
ATOM   256  O O   . GLN A 1 32  ? 7.343   -2.409  11.342 1.000 7.640  0 30  GLN AAA O   1 ? 
ATOM   257  C CB  . GLN A 1 32  ? 7.128   -4.863  8.985  1.000 7.514  0 30  GLN AAA CB  1 ? 
ATOM   258  C CG  . GLN A 1 32  ? 8.569   -4.451  8.853  1.000 8.463  0 30  GLN AAA CG  1 ? 
ATOM   259  C CD  . GLN A 1 32  ? 9.420   -4.867  10.023 1.000 8.697  0 30  GLN AAA CD  1 ? 
ATOM   260  O OE1 . GLN A 1 32  ? 9.277   -5.980  10.542 1.000 8.570  0 30  GLN AAA OE1 1 ? 
ATOM   261  N NE2 . GLN A 1 32  ? 10.275  -3.944  10.453 1.000 8.818  0 30  GLN AAA NE2 1 ? 
ATOM   262  N N   . ARG A 1 33  ? 5.912   -2.012  9.666  1.000 7.077  0 31  ARG AAA N   1 ? 
ATOM   263  C CA  . ARG A 1 33  ? 5.958   -0.524  9.898  1.000 6.911  0 31  ARG AAA CA  1 ? 
ATOM   264  C C   . ARG A 1 33  ? 5.554   -0.181  11.338 1.000 7.086  0 31  ARG AAA C   1 ? 
ATOM   265  O O   . ARG A 1 33  ? 6.196   0.682   11.961 1.000 6.442  0 31  ARG AAA O   1 ? 
ATOM   266  C CB  . ARG A 1 33  ? 5.121   0.199   8.840  1.000 6.894  0 31  ARG AAA CB  1 ? 
ATOM   267  C CG  . ARG A 1 33  ? 5.049   1.713   9.018  1.000 6.737  0 31  ARG AAA CG  1 ? 
ATOM   268  C CD  . ARG A 1 33  ? 6.410   2.341   8.760  1.000 6.516  0 31  ARG AAA CD  1 ? 
ATOM   269  N NE  . ARG A 1 33  ? 6.408   3.754   9.019  1.000 6.328  0 31  ARG AAA NE  1 ? 
ATOM   270  C CZ  . ARG A 1 33  ? 7.249   4.655   8.512  1.000 6.354  0 31  ARG AAA CZ  1 ? 
ATOM   271  N NH1 . ARG A 1 33  ? 8.139   4.334   7.590  1.000 6.544  0 31  ARG AAA NH1 1 ? 
ATOM   272  N NH2 . ARG A 1 33  ? 7.182   5.901   8.944  1.000 6.294  0 31  ARG AAA NH2 1 ? 
ATOM   273  N N   . LEU A 1 34  ? 4.490   -0.794  11.854 1.000 7.530  0 32  LEU AAA N   1 ? 
ATOM   274  C CA  . LEU A 1 34  ? 4.060   -0.545  13.255 1.000 8.232  0 32  LEU AAA CA  1 ? 
ATOM   275  C C   . LEU A 1 34  ? 5.156   -0.938  14.240 1.000 8.144  0 32  LEU AAA C   1 ? 
ATOM   276  O O   . LEU A 1 34  ? 5.295   -0.240  15.266 1.000 8.654  0 32  LEU AAA O   1 ? 
ATOM   277  C CB  . LEU A 1 34  ? 2.746   -1.281  13.522 1.000 8.792  0 32  LEU AAA CB  1 ? 
ATOM   278  C CG  . LEU A 1 34  ? 1.488   -0.580  13.021 1.000 9.913  0 32  LEU AAA CG  1 ? 
ATOM   279  C CD1 . LEU A 1 34  ? 0.254   -1.455  13.288 1.000 10.679 0 32  LEU AAA CD1 1 ? 
ATOM   280  C CD2 . LEU A 1 34  ? 1.348   0.771   13.733 1.000 10.066 0 32  LEU AAA CD2 1 ? 
ATOM   281  N N   . LYS A 1 35  ? 5.910   -2.013  14.009 1.000 8.652  0 33  LYS AAA N   1 ? 
ATOM   282  C CA  . LYS A 1 35  ? 7.046   -2.348  14.902 1.000 9.127  0 33  LYS AAA CA  1 ? 
ATOM   283  C C   . LYS A 1 35  ? 8.012   -1.170  14.899 1.000 8.425  0 33  LYS AAA C   1 ? 
ATOM   284  O O   . LYS A 1 35  ? 8.468   -0.785  15.973 1.000 8.854  0 33  LYS AAA O   1 ? 
ATOM   285  C CB  . LYS A 1 35  ? 7.777   -3.615  14.463 1.000 11.110 0 33  LYS AAA CB  1 ? 
ATOM   286  C CG  . LYS A 1 35  ? 6.921   -4.851  14.647 1.000 13.255 0 33  LYS AAA CG  1 ? 
ATOM   287  C CD  . LYS A 1 35  ? 7.592   -6.074  14.140 1.000 14.010 0 33  LYS AAA CD  1 ? 
ATOM   288  C CE  . LYS A 1 35  ? 6.676   -7.269  14.250 1.000 15.886 0 33  LYS AAA CE  1 ? 
ATOM   289  N NZ  . LYS A 1 35  ? 7.370   -8.439  13.666 1.000 16.446 0 33  LYS AAA NZ  1 ? 
ATOM   290  N N   . GLU A 1 36  ? 8.324   -0.627  13.740 1.000 7.268  0 34  GLU AAA N   1 ? 
ATOM   291  C CA  . GLU A 1 36  ? 9.271   0.511   13.644 1.000 6.605  0 34  GLU AAA CA  1 ? 
ATOM   292  C C   . GLU A 1 36  ? 8.661   1.712   14.353 1.000 6.695  0 34  GLU AAA C   1 ? 
ATOM   293  O O   . GLU A 1 36  ? 9.407   2.444   15.036 1.000 6.320  0 34  GLU AAA O   1 ? 
ATOM   294  C CB  . GLU A 1 36  ? 9.604   0.816   12.196 1.000 6.918  0 34  GLU AAA CB  1 ? 
ATOM   295  C CG  . GLU A 1 36  ? 10.226  -0.372  11.481 1.000 7.037  0 34  GLU AAA CG  1 ? 
ATOM   296  C CD  . GLU A 1 36  ? 10.211  -0.262  9.963  1.000 6.578  0 34  GLU AAA CD  1 ? 
ATOM   297  O OE1 . GLU A 1 36  ? 9.895   0.779   9.471  1.000 6.647  0 34  GLU AAA OE1 1 ? 
ATOM   298  O OE2 . GLU A 1 36  ? 10.467  -1.256  9.317  1.000 7.509  0 34  GLU AAA OE2 1 ? 
ATOM   299  N N   . GLU A 1 37  ? 7.345   1.905   14.226 1.000 5.882  0 35  GLU AAA N   1 ? 
ATOM   300  C CA  . GLU A 1 37  ? 6.651   3.080   14.824 1.000 5.827  0 35  GLU AAA CA  1 ? 
ATOM   301  C C   . GLU A 1 37  ? 6.699   2.969   16.344 1.000 5.673  0 35  GLU AAA C   1 ? 
ATOM   302  O O   . GLU A 1 37  ? 7.038   3.951   17.013 1.000 5.372  0 35  GLU AAA O   1 ? 
ATOM   303  C CB  . GLU A 1 37  ? 5.204   3.200   14.369 1.000 5.832  0 35  GLU AAA CB  1 ? 
ATOM   304  C CG  . GLU A 1 37  ? 5.075   3.510   12.884 1.000 5.812  0 35  GLU AAA CG  1 ? 
ATOM   305  C CD  . GLU A 1 37  ? 5.410   4.931   12.493 1.000 5.833  0 35  GLU AAA CD  1 ? 
ATOM   306  O OE1 . GLU A 1 37  ? 5.719   5.777   13.428 1.000 5.979  0 35  GLU AAA OE1 1 ? 
ATOM   307  O OE2 . GLU A 1 37  ? 5.342   5.204   11.252 1.000 6.062  0 35  GLU AAA OE2 1 ? 
ATOM   308  N N   . TYR A 1 38  ? 6.428   1.782   16.883 1.000 6.005  0 36  TYR AAA N   1 ? 
ATOM   309  C CA  . TYR A 1 38  ? 6.398   1.622   18.359 1.000 6.663  0 36  TYR AAA CA  1 ? 
ATOM   310  C C   . TYR A 1 38  ? 7.825   1.741   18.922 1.000 6.854  0 36  TYR AAA C   1 ? 
ATOM   311  O O   . TYR A 1 38  ? 7.974   2.377   20.002 1.000 7.245  0 36  TYR AAA O   1 ? 
ATOM   312  C CB  . TYR A 1 38  ? 5.712   0.304   18.708 1.000 6.526  0 36  TYR AAA CB  1 ? 
ATOM   313  C CG  . TYR A 1 38  ? 4.228   0.429   18.910 1.000 6.700  0 36  TYR AAA CG  1 ? 
ATOM   314  C CD1 . TYR A 1 38  ? 3.311   0.171   17.894 1.000 7.170  0 36  TYR AAA CD1 1 ? 
ATOM   315  C CD2 . TYR A 1 38  ? 3.739   0.837   20.129 1.000 7.193  0 36  TYR AAA CD2 1 ? 
ATOM   316  C CE1 . TYR A 1 38  ? 1.933   0.299   18.113 1.000 7.362  0 36  TYR AAA CE1 1 ? 
ATOM   317  C CE2 . TYR A 1 38  ? 2.373   0.984   20.358 1.000 7.195  0 36  TYR AAA CE2 1 ? 
ATOM   318  C CZ  . TYR A 1 38  ? 1.468   0.694   19.360 1.000 7.909  0 36  TYR AAA CZ  1 ? 
ATOM   319  O OH  . TYR A 1 38  ? 0.126   0.803   19.658 1.000 8.270  0 36  TYR AAA OH  1 ? 
ATOM   320  N N   A GLN A 1 39  ? 8.803   1.131   18.253 0.500 7.202  0 37  GLN AAA N   1 ? 
ATOM   321  N N   B GLN A 1 39  ? 8.852   1.164   18.285 0.500 7.300  0 37  GLN AAA N   1 ? 
ATOM   322  C CA  A GLN A 1 39  ? 10.234  1.153   18.663 0.500 7.539  0 37  GLN AAA CA  1 ? 
ATOM   323  C CA  B GLN A 1 39  ? 10.256  1.258   18.805 0.500 7.680  0 37  GLN AAA CA  1 ? 
ATOM   324  C C   A GLN A 1 39  ? 10.739  2.600   18.651 0.500 7.570  0 37  GLN AAA C   1 ? 
ATOM   325  C C   B GLN A 1 39  ? 10.731  2.713   18.717 0.500 7.638  0 37  GLN AAA C   1 ? 
ATOM   326  O O   A GLN A 1 39  ? 11.417  2.998   19.618 0.500 7.769  0 37  GLN AAA O   1 ? 
ATOM   327  O O   B GLN A 1 39  ? 11.460  3.143   19.621 0.500 7.842  0 37  GLN AAA O   1 ? 
ATOM   328  C CB  A GLN A 1 39  ? 11.061  0.212   17.786 0.500 8.110  0 37  GLN AAA CB  1 ? 
ATOM   329  C CB  B GLN A 1 39  ? 11.265  0.379   18.061 0.500 8.345  0 37  GLN AAA CB  1 ? 
ATOM   330  C CG  A GLN A 1 39  ? 10.926  -1.230  18.273 0.500 8.548  0 37  GLN AAA CG  1 ? 
ATOM   331  C CG  B GLN A 1 39  ? 12.531  -0.015  18.846 0.500 8.810  0 37  GLN AAA CG  1 ? 
ATOM   332  C CD  A GLN A 1 39  ? 12.044  -2.164  17.870 0.500 8.560  0 37  GLN AAA CD  1 ? 
ATOM   333  C CD  B GLN A 1 39  ? 12.494  -0.072  20.366 0.500 8.728  0 37  GLN AAA CD  1 ? 
ATOM   334  O OE1 A GLN A 1 39  ? 12.325  -2.354  16.695 0.500 9.711  0 37  GLN AAA OE1 1 ? 
ATOM   335  O OE1 B GLN A 1 39  ? 12.179  -1.115  20.968 0.500 8.579  0 37  GLN AAA OE1 1 ? 
ATOM   336  N NE2 A GLN A 1 39  ? 12.679  -2.788  18.848 0.500 8.079  0 37  GLN AAA NE2 1 ? 
ATOM   337  N NE2 B GLN A 1 39  ? 12.984  1.016   20.975 0.500 7.443  0 37  GLN AAA NE2 1 ? 
ATOM   338  N N   A SER A 1 40  ? 10.367  3.377   17.636 0.500 7.156  0 38  SER AAA N   1 ? 
ATOM   339  N N   B SER A 1 40  ? 10.365  3.454   17.668 0.500 7.115  0 38  SER AAA N   1 ? 
ATOM   340  C CA  A SER A 1 40  ? 10.738  4.810   17.534 0.500 7.016  0 38  SER AAA CA  1 ? 
ATOM   341  C CA  B SER A 1 40  ? 10.753  4.885   17.573 0.500 6.871  0 38  SER AAA CA  1 ? 
ATOM   342  C C   A SER A 1 40  ? 10.033  5.633   18.615 0.500 7.048  0 38  SER AAA C   1 ? 
ATOM   343  C C   B SER A 1 40  ? 10.025  5.674   18.646 0.500 6.980  0 38  SER AAA C   1 ? 
ATOM   344  O O   A SER A 1 40  ? 10.700  6.450   19.280 0.500 6.939  0 38  SER AAA O   1 ? 
ATOM   345  O O   B SER A 1 40  ? 10.668  6.488   19.336 0.500 6.861  0 38  SER AAA O   1 ? 
ATOM   346  C CB  A SER A 1 40  ? 10.438  5.308   16.147 0.500 7.068  0 38  SER AAA CB  1 ? 
ATOM   347  C CB  B SER A 1 40  ? 10.490  5.445   16.214 0.500 6.817  0 38  SER AAA CB  1 ? 
ATOM   348  O OG  A SER A 1 40  ? 10.852  6.644   15.997 0.500 7.307  0 38  SER AAA OG  1 ? 
ATOM   349  O OG  B SER A 1 40  ? 11.248  4.729   15.272 0.500 6.784  0 38  SER AAA OG  1 ? 
ATOM   350  N N   . LEU A 1 41  ? 8.729   5.443   18.788 1.000 6.866  0 39  LEU AAA N   1 ? 
ATOM   351  C CA  . LEU A 1 41  ? 7.944   6.147   19.825 1.000 7.772  0 39  LEU AAA CA  1 ? 
ATOM   352  C C   . LEU A 1 41  ? 8.492   5.866   21.214 1.000 7.883  0 39  LEU AAA C   1 ? 
ATOM   353  O O   . LEU A 1 41  ? 8.631   6.827   21.988 1.000 7.443  0 39  LEU AAA O   1 ? 
ATOM   354  C CB  . LEU A 1 41  ? 6.480   5.737   19.770 1.000 8.789  0 39  LEU AAA CB  1 ? 
ATOM   355  C CG  . LEU A 1 41  ? 5.608   6.611   18.903 1.000 10.450 0 39  LEU AAA CG  1 ? 
ATOM   356  C CD1 . LEU A 1 41  ? 4.236   5.963   18.776 1.000 11.602 0 39  LEU AAA CD1 1 ? 
ATOM   357  C CD2 . LEU A 1 41  ? 5.508   8.034   19.473 1.000 10.945 0 39  LEU AAA CD2 1 ? 
ATOM   358  N N   . ILE A 1 42  ? 8.811   4.622   21.538 1.000 7.883  0 40  ILE AAA N   1 ? 
ATOM   359  C CA  . ILE A 1 42  ? 9.197   4.302   22.949 1.000 8.373  0 40  ILE AAA CA  1 ? 
ATOM   360  C C   . ILE A 1 42  ? 10.579  4.888   23.254 1.000 8.487  0 40  ILE AAA C   1 ? 
ATOM   361  O O   . ILE A 1 42  ? 10.782  5.392   24.368 1.000 8.802  0 40  ILE AAA O   1 ? 
ATOM   362  C CB  . ILE A 1 42  ? 9.068   2.798   23.273 1.000 8.732  0 40  ILE AAA CB  1 ? 
ATOM   363  C CG1 . ILE A 1 42  ? 9.005   2.602   24.783 1.000 9.268  0 40  ILE AAA CG1 1 ? 
ATOM   364  C CG2 . ILE A 1 42  ? 10.146  1.953   22.640 1.000 8.925  0 40  ILE AAA CG2 1 ? 
ATOM   365  C CD1 . ILE A 1 42  ? 7.793   3.275   25.391 1.000 10.242 0 40  ILE AAA CD1 1 ? 
ATOM   366  N N   A ARG A 1 43  ? 11.499  4.870   22.293 0.500 8.189  0 41  ARG AAA N   1 ? 
ATOM   367  N N   B ARG A 1 43  ? 11.500  4.870   22.291 0.500 8.514  0 41  ARG AAA N   1 ? 
ATOM   368  C CA  A ARG A 1 43  ? 12.851  5.451   22.481 0.500 8.274  0 41  ARG AAA CA  1 ? 
ATOM   369  C CA  B ARG A 1 43  ? 12.852  5.454   22.475 0.500 8.812  0 41  ARG AAA CA  1 ? 
ATOM   370  C C   A ARG A 1 43  ? 12.706  6.967   22.664 0.500 8.219  0 41  ARG AAA C   1 ? 
ATOM   371  C C   B ARG A 1 43  ? 12.710  6.968   22.660 0.500 8.536  0 41  ARG AAA C   1 ? 
ATOM   372  O O   A ARG A 1 43  ? 13.377  7.503   23.523 0.500 8.097  0 41  ARG AAA O   1 ? 
ATOM   373  O O   B ARG A 1 43  ? 13.404  7.506   23.500 0.500 8.419  0 41  ARG AAA O   1 ? 
ATOM   374  C CB  A ARG A 1 43  ? 13.779  5.087   21.319 0.500 8.430  0 41  ARG AAA CB  1 ? 
ATOM   375  C CB  B ARG A 1 43  ? 13.787  5.130   21.308 0.500 9.416  0 41  ARG AAA CB  1 ? 
ATOM   376  C CG  A ARG A 1 43  ? 15.131  5.782   21.382 0.500 8.747  0 41  ARG AAA CG  1 ? 
ATOM   377  C CG  B ARG A 1 43  ? 15.177  5.729   21.474 0.500 10.190 0 41  ARG AAA CG  1 ? 
ATOM   378  C CD  A ARG A 1 43  ? 15.961  5.400   22.594 0.500 9.092  0 41  ARG AAA CD  1 ? 
ATOM   379  C CD  B ARG A 1 43  ? 15.935  5.083   22.618 0.500 11.069 0 41  ARG AAA CD  1 ? 
ATOM   380  N NE  A ARG A 1 43  ? 17.218  6.135   22.588 0.500 9.772  0 41  ARG AAA NE  1 ? 
ATOM   381  N NE  B ARG A 1 43  ? 16.802  3.993   22.173 0.500 12.593 0 41  ARG AAA NE  1 ? 
ATOM   382  C CZ  A ARG A 1 43  ? 18.288  5.755   21.882 0.500 10.719 0 41  ARG AAA CZ  1 ? 
ATOM   383  C CZ  B ARG A 1 43  ? 16.495  2.695   22.235 0.500 13.442 0 41  ARG AAA CZ  1 ? 
ATOM   384  N NH1 A ARG A 1 43  ? 19.410  6.459   21.916 0.500 11.752 0 41  ARG AAA NH1 1 ? 
ATOM   385  N NH1 B ARG A 1 43  ? 17.374  1.804   21.806 0.500 13.303 0 41  ARG AAA NH1 1 ? 
ATOM   386  N NH2 A ARG A 1 43  ? 18.235  4.634   21.183 0.500 10.355 0 41  ARG AAA NH2 1 ? 
ATOM   387  N NH2 B ARG A 1 43  ? 15.303  2.284   22.649 0.500 13.707 0 41  ARG AAA NH2 1 ? 
ATOM   388  N N   . TYR A 1 44  ? 11.831  7.626   21.889 1.000 7.899  0 42  TYR AAA N   1 ? 
ATOM   389  C CA  . TYR A 1 44  ? 11.596  9.082   21.991 1.000 7.686  0 42  TYR AAA CA  1 ? 
ATOM   390  C C   . TYR A 1 44  ? 11.049  9.370   23.398 1.000 8.009  0 42  TYR AAA C   1 ? 
ATOM   391  O O   . TYR A 1 44  ? 11.532  10.298  24.064 1.000 7.602  0 42  TYR AAA O   1 ? 
ATOM   392  C CB  . TYR A 1 44  ? 10.693  9.567   20.849 1.000 7.573  0 42  TYR AAA CB  1 ? 
ATOM   393  C CG  . TYR A 1 44  ? 10.352  11.024  20.909 1.000 7.525  0 42  TYR AAA CG  1 ? 
ATOM   394  C CD1 . TYR A 1 44  ? 11.322  11.970  21.143 1.000 8.158  0 42  TYR AAA CD1 1 ? 
ATOM   395  C CD2 . TYR A 1 44  ? 9.065   11.493  20.701 1.000 7.847  0 42  TYR AAA CD2 1 ? 
ATOM   396  C CE1 . TYR A 1 44  ? 11.032  13.328  21.208 1.000 8.699  0 42  TYR AAA CE1 1 ? 
ATOM   397  C CE2 . TYR A 1 44  ? 8.761   12.847  20.726 1.000 8.248  0 42  TYR AAA CE2 1 ? 
ATOM   398  C CZ  . TYR A 1 44  ? 9.751   13.774  20.969 1.000 8.412  0 42  TYR AAA CZ  1 ? 
ATOM   399  O OH  . TYR A 1 44  ? 9.518   15.120  21.069 1.000 8.726  0 42  TYR AAA OH  1 ? 
ATOM   400  N N   . VAL A 1 45  ? 10.099  8.550   23.886 1.000 8.770  0 43  VAL AAA N   1 ? 
ATOM   401  C CA  . VAL A 1 45  ? 9.525   8.722   25.263 1.000 8.559  0 43  VAL AAA CA  1 ? 
ATOM   402  C C   . VAL A 1 45  ? 10.620  8.557   26.335 1.000 9.400  0 43  VAL AAA C   1 ? 
ATOM   403  O O   . VAL A 1 45  ? 10.657  9.405   27.257 1.000 9.126  0 43  VAL AAA O   1 ? 
ATOM   404  C CB  . VAL A 1 45  ? 8.334   7.789   25.532 1.000 8.341  0 43  VAL AAA CB  1 ? 
ATOM   405  C CG1 . VAL A 1 45  ? 7.951   7.806   27.012 1.000 8.756  0 43  VAL AAA CG1 1 ? 
ATOM   406  C CG2 . VAL A 1 45  ? 7.141   8.229   24.708 1.000 7.885  0 43  VAL AAA CG2 1 ? 
ATOM   407  N N   A GLU A 1 46  ? 11.488  7.551   26.209 0.500 9.388  0 44  GLU AAA N   1 ? 
ATOM   408  N N   B GLU A 1 46  ? 11.483  7.544   26.198 0.500 9.777  0 44  GLU AAA N   1 ? 
ATOM   409  C CA  A GLU A 1 46  ? 12.578  7.296   27.187 0.500 10.270 0 44  GLU AAA CA  1 ? 
ATOM   410  C CA  B GLU A 1 46  ? 12.626  7.294   27.115 0.500 10.957 0 44  GLU AAA CA  1 ? 
ATOM   411  C C   A GLU A 1 46  ? 13.566  8.476   27.133 0.500 9.535  0 44  GLU AAA C   1 ? 
ATOM   412  C C   B GLU A 1 46  ? 13.543  8.512   27.132 0.500 9.909  0 44  GLU AAA C   1 ? 
ATOM   413  O O   A GLU A 1 46  ? 13.935  8.935   28.216 0.500 9.730  0 44  GLU AAA O   1 ? 
ATOM   414  O O   B GLU A 1 46  ? 13.932  8.939   28.225 0.500 10.081 0 44  GLU AAA O   1 ? 
ATOM   415  C CB  A GLU A 1 46  ? 13.243  5.926   26.968 0.500 11.258 0 44  GLU AAA CB  1 ? 
ATOM   416  C CB  B GLU A 1 46  ? 13.598  6.204   26.660 0.500 12.759 0 44  GLU AAA CB  1 ? 
ATOM   417  C CG  A GLU A 1 46  ? 14.621  5.789   27.653 0.500 12.870 0 44  GLU AAA CG  1 ? 
ATOM   418  C CG  B GLU A 1 46  ? 13.001  5.031   25.940 0.500 14.763 0 44  GLU AAA CG  1 ? 
ATOM   419  C CD  A GLU A 1 46  ? 15.479  4.540   27.431 0.500 14.321 0 44  GLU AAA CD  1 ? 
ATOM   420  C CD  B GLU A 1 46  ? 12.081  4.219   26.810 0.500 14.790 0 44  GLU AAA CD  1 ? 
ATOM   421  O OE1 A GLU A 1 46  ? 15.635  4.076   26.266 0.500 13.479 0 44  GLU AAA OE1 1 ? 
ATOM   422  O OE1 B GLU A 1 46  ? 12.101  2.977   26.682 0.500 15.768 0 44  GLU AAA OE1 1 ? 
ATOM   423  O OE2 A GLU A 1 46  ? 16.065  4.052   28.452 0.500 17.017 0 44  GLU AAA OE2 1 ? 
ATOM   424  O OE2 B GLU A 1 46  ? 11.358  4.841   27.589 0.500 18.498 0 44  GLU AAA OE2 1 ? 
ATOM   425  N N   . ASN A 1 47  ? 13.915  8.993   25.946 1.000 9.382  0 45  ASN AAA N   1 ? 
ATOM   426  C CA  . ASN A 1 47  ? 14.798  10.188  25.806 1.000 9.191  0 45  ASN AAA CA  1 ? 
ATOM   427  C C   . ASN A 1 47  ? 14.137  11.393  26.494 1.000 8.791  0 45  ASN AAA C   1 ? 
ATOM   428  O O   . ASN A 1 47  ? 14.795  12.134  27.201 1.000 9.628  0 45  ASN AAA O   1 ? 
ATOM   429  C CB  . ASN A 1 47  ? 15.151  10.520  24.358 1.000 9.618  0 45  ASN AAA CB  1 ? 
ATOM   430  C CG  . ASN A 1 47  ? 15.890  9.366   23.713 1.000 10.651 0 45  ASN AAA CG  1 ? 
ATOM   431  O OD1 . ASN A 1 47  ? 16.411  8.491   24.425 1.000 12.228 0 45  ASN AAA OD1 1 ? 
ATOM   432  N ND2 . ASN A 1 47  ? 15.935  9.361   22.394 1.000 11.760 0 45  ASN AAA ND2 1 ? 
ATOM   433  N N   . ASN A 1 48  ? 12.853  11.590  26.291 1.000 8.717  0 46  ASN AAA N   1 ? 
ATOM   434  C CA  . ASN A 1 48  ? 12.115  12.725  26.883 1.000 8.673  0 46  ASN AAA CA  1 ? 
ATOM   435  C C   . ASN A 1 48  ? 12.170  12.659  28.404 1.000 9.712  0 46  ASN AAA C   1 ? 
ATOM   436  O O   . ASN A 1 48  ? 12.412  13.720  29.049 1.000 9.537  0 46  ASN AAA O   1 ? 
ATOM   437  C CB  . ASN A 1 48  ? 10.661  12.740  26.433 1.000 9.020  0 46  ASN AAA CB  1 ? 
ATOM   438  C CG  . ASN A 1 48  ? 10.492  13.161  24.989 1.000 9.014  0 46  ASN AAA CG  1 ? 
ATOM   439  O OD1 . ASN A 1 48  ? 11.398  13.743  24.401 1.000 9.913  0 46  ASN AAA OD1 1 ? 
ATOM   440  N ND2 . ASN A 1 48  ? 9.330   12.873  24.440 1.000 9.148  0 46  ASN AAA ND2 1 ? 
ATOM   441  N N   . LYS A 1 49  ? 11.893  11.475  28.953 1.000 10.969 0 47  LYS AAA N   1 ? 
ATOM   442  C CA  . LYS A 1 49  ? 11.947  11.254  30.416 1.000 13.642 0 47  LYS AAA CA  1 ? 
ATOM   443  C C   . LYS A 1 49  ? 13.327  11.637  30.935 1.000 12.802 0 47  LYS AAA C   1 ? 
ATOM   444  O O   . LYS A 1 49  ? 13.383  12.318  31.998 1.000 14.578 0 47  LYS AAA O   1 ? 
ATOM   445  C CB  . LYS A 1 49  ? 11.661  9.801   30.797 1.000 16.494 0 47  LYS AAA CB  1 ? 
ATOM   446  C CG  . LYS A 1 49  ? 10.181  9.460   30.842 1.000 21.025 0 47  LYS AAA CG  1 ? 
ATOM   447  C CD  . LYS A 1 49  ? 9.894   7.983   31.072 1.000 24.611 0 47  LYS AAA CD  1 ? 
ATOM   448  C CE  . LYS A 1 49  ? 8.430   7.649   30.845 1.000 29.442 0 47  LYS AAA CE  1 ? 
ATOM   449  N NZ  . LYS A 1 49  ? 8.145   6.211   31.090 1.000 36.581 0 47  LYS AAA NZ  1 ? 
ATOM   450  N N   . ASN A 1 50  ? 14.383  11.253  30.227 1.000 12.311 0 48  ASN AAA N   1 ? 
ATOM   451  C CA  . ASN A 1 50  ? 15.784  11.514  30.663 1.000 13.512 0 48  ASN AAA CA  1 ? 
ATOM   452  C C   . ASN A 1 50  ? 16.050  13.022  30.694 1.000 14.321 0 48  ASN AAA C   1 ? 
ATOM   453  O O   . ASN A 1 50  ? 16.973  13.433  31.395 1.000 16.344 0 48  ASN AAA O   1 ? 
ATOM   454  C CB  . ASN A 1 50  ? 16.784  10.821  29.745 1.000 15.952 0 48  ASN AAA CB  1 ? 
ATOM   455  C CG  . ASN A 1 50  ? 16.824  9.319   29.963 1.000 19.613 0 48  ASN AAA CG  1 ? 
ATOM   456  O OD1 . ASN A 1 50  ? 16.393  8.832   31.000 1.000 20.157 0 48  ASN AAA OD1 1 ? 
ATOM   457  N ND2 . ASN A 1 50  ? 17.322  8.571   28.981 1.000 21.739 0 48  ASN AAA ND2 1 ? 
ATOM   458  N N   . ALA A 1 51  ? 15.331  13.801  29.875 1.000 12.720 0 49  ALA AAA N   1 ? 
ATOM   459  C CA  . ALA A 1 51  ? 15.571  15.239  29.657 1.000 12.099 0 49  ALA AAA CA  1 ? 
ATOM   460  C C   . ALA A 1 51  ? 14.538  16.059  30.448 1.000 10.620 0 49  ALA AAA C   1 ? 
ATOM   461  O O   . ALA A 1 51  ? 14.333  17.192  30.134 1.000 9.847  0 49  ALA AAA O   1 ? 
ATOM   462  C CB  . ALA A 1 51  ? 15.520  15.529  28.173 1.000 13.836 0 49  ALA AAA CB  1 ? 
ATOM   463  N N   . ASP A 1 52  ? 13.815  15.445  31.375 1.000 10.859 0 50  ASP AAA N   1 ? 
ATOM   464  C CA  . ASP A 1 52  ? 12.734  16.092  32.175 1.000 11.646 0 50  ASP AAA CA  1 ? 
ATOM   465  C C   . ASP A 1 52  ? 11.698  16.723  31.229 1.000 11.178 0 50  ASP AAA C   1 ? 
ATOM   466  O O   . ASP A 1 52  ? 11.211  17.825  31.517 1.000 9.933  0 50  ASP AAA O   1 ? 
ATOM   467  C CB  . ASP A 1 52  ? 13.337  17.087  33.184 1.000 12.583 0 50  ASP AAA CB  1 ? 
ATOM   468  C CG  . ASP A 1 52  ? 12.328  17.615  34.185 1.000 14.171 0 50  ASP AAA CG  1 ? 
ATOM   469  O OD1 . ASP A 1 52  ? 11.380  16.859  34.517 1.000 15.106 0 50  ASP AAA OD1 1 ? 
ATOM   470  O OD2 . ASP A 1 52  ? 12.421  18.816  34.545 1.000 14.348 0 50  ASP AAA OD2 1 ? 
ATOM   471  N N   . ASN A 1 53  ? 11.410  16.083  30.087 1.000 10.262 0 51  ASN AAA N   1 ? 
ATOM   472  C CA  . ASN A 1 53  ? 10.443  16.608  29.076 1.000 10.738 0 51  ASN AAA CA  1 ? 
ATOM   473  C C   . ASN A 1 53  ? 9.470   15.495  28.651 1.000 9.676  0 51  ASN AAA C   1 ? 
ATOM   474  O O   . ASN A 1 53  ? 9.200   15.359  27.445 1.000 9.498  0 51  ASN AAA O   1 ? 
ATOM   475  C CB  . ASN A 1 53  ? 11.140  17.156  27.827 1.000 11.734 0 51  ASN AAA CB  1 ? 
ATOM   476  C CG  . ASN A 1 53  ? 10.210  18.066  27.050 1.000 11.657 0 51  ASN AAA CG  1 ? 
ATOM   477  O OD1 . ASN A 1 53  ? 9.471   18.822  27.660 1.000 14.007 0 51  ASN AAA OD1 1 ? 
ATOM   478  N ND2 . ASN A 1 53  ? 10.168  17.963  25.740 1.000 12.579 0 51  ASN AAA ND2 1 ? 
ATOM   479  N N   . ASP A 1 54  ? 8.986   14.697  29.589 1.000 10.722 0 52  ASP AAA N   1 ? 
ATOM   480  C CA  . ASP A 1 54  ? 8.042   13.610  29.243 1.000 11.734 0 52  ASP AAA CA  1 ? 
ATOM   481  C C   . ASP A 1 54  ? 6.684   14.246  28.949 1.000 11.985 0 52  ASP AAA C   1 ? 
ATOM   482  O O   . ASP A 1 54  ? 5.894   14.361  29.866 1.000 16.080 0 52  ASP AAA O   1 ? 
ATOM   483  C CB  . ASP A 1 54  ? 7.973   12.581  30.360 1.000 13.948 0 52  ASP AAA CB  1 ? 
ATOM   484  C CG  . ASP A 1 54  ? 7.191   11.343  29.972 1.000 16.933 0 52  ASP AAA CG  1 ? 
ATOM   485  O OD1 . ASP A 1 54  ? 6.944   11.155  28.769 1.000 15.440 0 52  ASP AAA OD1 1 ? 
ATOM   486  O OD2 . ASP A 1 54  ? 6.851   10.575  30.906 1.000 18.495 0 52  ASP AAA OD2 1 ? 
ATOM   487  N N   . TRP A 1 55  ? 6.423   14.650  27.707 1.000 9.318  0 53  TRP AAA N   1 ? 
ATOM   488  C CA  . TRP A 1 55  ? 5.349   15.597  27.365 1.000 8.752  0 53  TRP AAA CA  1 ? 
ATOM   489  C C   . TRP A 1 55  ? 4.161   14.923  26.672 1.000 8.665  0 53  TRP AAA C   1 ? 
ATOM   490  O O   . TRP A 1 55  ? 3.191   15.641  26.338 1.000 8.110  0 53  TRP AAA O   1 ? 
ATOM   491  C CB  . TRP A 1 55  ? 5.891   16.750  26.545 1.000 8.413  0 53  TRP AAA CB  1 ? 
ATOM   492  C CG  . TRP A 1 55  ? 6.362   16.413  25.169 1.000 7.766  0 53  TRP AAA CG  1 ? 
ATOM   493  C CD1 . TRP A 1 55  ? 7.599   15.960  24.807 1.000 7.406  0 53  TRP AAA CD1 1 ? 
ATOM   494  C CD2 . TRP A 1 55  ? 5.605   16.549  23.955 1.000 7.024  0 53  TRP AAA CD2 1 ? 
ATOM   495  N NE1 . TRP A 1 55  ? 7.662   15.819  23.449 1.000 6.785  0 53  TRP AAA NE1 1 ? 
ATOM   496  C CE2 . TRP A 1 55  ? 6.466   16.219  22.903 1.000 6.918  0 53  TRP AAA CE2 1 ? 
ATOM   497  C CE3 . TRP A 1 55  ? 4.317   17.023  23.657 1.000 6.980  0 53  TRP AAA CE3 1 ? 
ATOM   498  C CZ2 . TRP A 1 55  ? 6.039   16.243  21.578 1.000 6.802  0 53  TRP AAA CZ2 1 ? 
ATOM   499  C CZ3 . TRP A 1 55  ? 3.905   17.091  22.346 1.000 6.682  0 53  TRP AAA CZ3 1 ? 
ATOM   500  C CH2 . TRP A 1 55  ? 4.748   16.670  21.315 1.000 6.689  0 53  TRP AAA CH2 1 ? 
ATOM   501  N N   . PHE A 1 56  ? 4.144   13.599  26.521 1.000 9.267  0 54  PHE AAA N   1 ? 
ATOM   502  C CA  . PHE A 1 56  ? 2.932   12.969  25.926 1.000 10.104 0 54  PHE AAA CA  1 ? 
ATOM   503  C C   . PHE A 1 56  ? 2.896   11.465  26.188 1.000 10.300 0 54  PHE AAA C   1 ? 
ATOM   504  O O   . PHE A 1 56  ? 3.917   10.851  26.512 1.000 9.543  0 54  PHE AAA O   1 ? 
ATOM   505  C CB  . PHE A 1 56  ? 2.907   13.201  24.404 1.000 10.110 0 54  PHE AAA CB  1 ? 
ATOM   506  C CG  . PHE A 1 56  ? 3.886   12.305  23.677 1.000 10.348 0 54  PHE AAA CG  1 ? 
ATOM   507  C CD1 . PHE A 1 56  ? 3.477   11.069  23.180 1.000 11.662 0 54  PHE AAA CD1 1 ? 
ATOM   508  C CD2 . PHE A 1 56  ? 5.217   12.665  23.523 1.000 10.077 0 54  PHE AAA CD2 1 ? 
ATOM   509  C CE1 . PHE A 1 56  ? 4.380   10.221  22.560 1.000 10.228 0 54  PHE AAA CE1 1 ? 
ATOM   510  C CE2 . PHE A 1 56  ? 6.123   11.821  22.889 1.000 10.863 0 54  PHE AAA CE2 1 ? 
ATOM   511  C CZ  . PHE A 1 56  ? 5.697   10.598  22.405 1.000 10.657 0 54  PHE AAA CZ  1 ? 
ATOM   512  N N   . ARG A 1 57  ? 1.704   10.907  26.028 1.000 10.953 0 55  ARG AAA N   1 ? 
ATOM   513  C CA  . ARG A 1 57  ? 1.427   9.448   26.033 1.000 11.900 0 55  ARG AAA CA  1 ? 
ATOM   514  C C   . ARG A 1 57  ? 0.548   9.196   24.809 1.000 10.484 0 55  ARG AAA C   1 ? 
ATOM   515  O O   . ARG A 1 57  ? -0.366  10.015  24.553 1.000 9.491  0 55  ARG AAA O   1 ? 
ATOM   516  C CB  . ARG A 1 57  ? 0.645   9.013   27.267 1.000 14.025 0 55  ARG AAA CB  1 ? 
ATOM   517  C CG  . ARG A 1 57  ? 1.423   9.056   28.570 1.000 18.401 0 55  ARG AAA CG  1 ? 
ATOM   518  C CD  . ARG A 1 57  ? 2.373   7.884   28.689 1.000 20.346 0 55  ARG AAA CD  1 ? 
ATOM   519  N NE  . ARG A 1 57  ? 3.266   8.010   29.846 1.000 22.550 0 55  ARG AAA NE  1 ? 
ATOM   520  C CZ  . ARG A 1 57  ? 4.433   8.668   29.854 1.000 23.654 0 55  ARG AAA CZ  1 ? 
ATOM   521  N NH1 . ARG A 1 57  ? 4.850   9.323   28.770 1.000 18.354 0 55  ARG AAA NH1 1 ? 
ATOM   522  N NH2 . ARG A 1 57  ? 5.159   8.684   30.968 1.000 26.728 0 55  ARG AAA NH2 1 ? 
ATOM   523  N N   . LEU A 1 58  ? 0.793   8.117   24.085 1.000 9.888  0 56  LEU AAA N   1 ? 
ATOM   524  C CA  . LEU A 1 58  ? -0.093  7.714   22.963 1.000 9.886  0 56  LEU AAA CA  1 ? 
ATOM   525  C C   . LEU A 1 58  ? -0.402  6.232   23.088 1.000 10.749 0 56  LEU AAA C   1 ? 
ATOM   526  O O   . LEU A 1 58  ? 0.490   5.488   23.514 1.000 10.783 0 56  LEU AAA O   1 ? 
ATOM   527  C CB  . LEU A 1 58  ? 0.571   7.999   21.618 1.000 9.405  0 56  LEU AAA CB  1 ? 
ATOM   528  C CG  . LEU A 1 58  ? 0.489   9.441   21.127 1.000 10.197 0 56  LEU AAA CG  1 ? 
ATOM   529  C CD1 . LEU A 1 58  ? 1.338   9.640   19.888 1.000 9.918  0 56  LEU AAA CD1 1 ? 
ATOM   530  C CD2 . LEU A 1 58  ? -0.949  9.883   20.870 1.000 10.625 0 56  LEU AAA CD2 1 ? 
ATOM   531  N N   . GLU A 1 59  ? -1.629  5.848   22.735 1.000 10.685 0 57  GLU AAA N   1 ? 
ATOM   532  C CA  . GLU A 1 59  ? -1.953  4.438   22.432 1.000 11.178 0 57  GLU AAA CA  1 ? 
ATOM   533  C C   . GLU A 1 59  ? -2.622  4.369   21.074 1.000 9.414  0 57  GLU AAA C   1 ? 
ATOM   534  O O   . GLU A 1 59  ? -3.021  5.436   20.513 1.000 8.599  0 57  GLU AAA O   1 ? 
ATOM   535  C CB  . GLU A 1 59  ? -2.777  3.748   23.518 1.000 14.587 0 57  GLU AAA CB  1 ? 
ATOM   536  C CG  . GLU A 1 59  ? -4.046  4.430   23.895 1.000 18.706 0 57  GLU AAA CG  1 ? 
ATOM   537  C CD  . GLU A 1 59  ? -4.541  4.044   25.297 1.000 22.012 0 57  GLU AAA CD  1 ? 
ATOM   538  O OE1 . GLU A 1 59  ? -4.948  2.895   25.456 1.000 22.767 0 57  GLU AAA OE1 1 ? 
ATOM   539  O OE2 . GLU A 1 59  ? -4.467  4.894   26.227 1.000 33.324 0 57  GLU AAA OE2 1 ? 
ATOM   540  N N   . SER A 1 60  ? -2.765  3.161   20.553 1.000 8.397  0 58  SER AAA N   1 ? 
ATOM   541  C CA  . SER A 1 60  ? -3.447  2.947   19.260 1.000 7.563  0 58  SER AAA CA  1 ? 
ATOM   542  C C   . SER A 1 60  ? -4.501  1.870   19.446 1.000 7.727  0 58  SER AAA C   1 ? 
ATOM   543  O O   . SER A 1 60  ? -4.453  1.106   20.455 1.000 8.251  0 58  SER AAA O   1 ? 
ATOM   544  C CB  . SER A 1 60  ? -2.507  2.594   18.113 1.000 6.974  0 58  SER AAA CB  1 ? 
ATOM   545  O OG  . SER A 1 60  ? -2.106  1.238   18.159 1.000 7.000  0 58  SER AAA OG  1 ? 
ATOM   546  N N   . ASN A 1 61  ? -5.400  1.823   18.474 1.000 8.005  0 59  ASN AAA N   1 ? 
ATOM   547  C CA  . ASN A 1 61  ? -6.286  0.656   18.291 1.000 8.073  0 59  ASN AAA CA  1 ? 
ATOM   548  C C   . ASN A 1 61  ? -5.445  -0.568  17.927 1.000 8.398  0 59  ASN AAA C   1 ? 
ATOM   549  O O   . ASN A 1 61  ? -4.217  -0.452  17.757 1.000 7.907  0 59  ASN AAA O   1 ? 
ATOM   550  C CB  . ASN A 1 61  ? -7.427  0.936   17.317 1.000 8.214  0 59  ASN AAA CB  1 ? 
ATOM   551  C CG  . ASN A 1 61  ? -6.978  1.309   15.923 1.000 8.286  0 59  ASN AAA CG  1 ? 
ATOM   552  O OD1 . ASN A 1 61  ? -5.772  1.434   15.654 1.000 8.127  0 59  ASN AAA OD1 1 ? 
ATOM   553  N ND2 . ASN A 1 61  ? -7.956  1.545   15.069 1.000 8.126  0 59  ASN AAA ND2 1 ? 
ATOM   554  N N   . LYS A 1 62  ? -6.092  -1.720  17.836 1.000 9.123  0 60  LYS AAA N   1 ? 
ATOM   555  C CA  . LYS A 1 62  ? -5.389  -2.973  17.515 1.000 10.206 0 60  LYS AAA CA  1 ? 
ATOM   556  C C   . LYS A 1 62  ? -4.638  -2.806  16.181 1.000 10.109 0 60  LYS AAA C   1 ? 
ATOM   557  O O   . LYS A 1 62  ? -3.452  -3.221  16.084 1.000 9.307  0 60  LYS AAA O   1 ? 
ATOM   558  C CB  . LYS A 1 62  ? -6.373  -4.152  17.472 1.000 12.246 0 60  LYS AAA CB  1 ? 
ATOM   559  C CG  . LYS A 1 62  ? -5.758  -5.451  16.944 1.000 14.802 0 60  LYS AAA CG  1 ? 
ATOM   560  C CD  . LYS A 1 62  ? -6.562  -6.728  17.153 1.000 17.913 0 60  LYS AAA CD  1 ? 
ATOM   561  C CE  . LYS A 1 62  ? -5.839  -7.910  16.521 1.000 20.341 0 60  LYS AAA CE  1 ? 
ATOM   562  N NZ  . LYS A 1 62  ? -6.685  -9.131  16.541 1.000 23.580 0 60  LYS AAA NZ  1 ? 
ATOM   563  N N   A GLU A 1 63  ? -5.308  -2.204  15.205 0.500 9.914  0 61  GLU AAA N   1 ? 
ATOM   564  N N   B GLU A 1 63  ? -5.278  -2.267  15.133 0.500 9.955  0 61  GLU AAA N   1 ? 
ATOM   565  C CA  A GLU A 1 63  ? -4.883  -2.139  13.791 0.500 10.113 0 61  GLU AAA CA  1 ? 
ATOM   566  C CA  B GLU A 1 63  ? -4.675  -2.228  13.767 0.500 10.238 0 61  GLU AAA CA  1 ? 
ATOM   567  C C   A GLU A 1 63  ? -3.796  -1.045  13.628 0.500 10.443 0 61  GLU AAA C   1 ? 
ATOM   568  C C   B GLU A 1 63  ? -3.669  -1.075  13.647 0.500 10.360 0 61  GLU AAA C   1 ? 
ATOM   569  O O   A GLU A 1 63  ? -3.157  -0.986  12.569 0.500 10.764 0 61  GLU AAA O   1 ? 
ATOM   570  O O   B GLU A 1 63  ? -3.038  -0.954  12.598 0.500 10.577 0 61  GLU AAA O   1 ? 
ATOM   571  C CB  A GLU A 1 63  ? -6.204  -2.049  13.007 0.500 10.508 0 61  GLU AAA CB  1 ? 
ATOM   572  C CB  B GLU A 1 63  ? -5.740  -2.137  12.670 0.500 10.681 0 61  GLU AAA CB  1 ? 
ATOM   573  C CG  A GLU A 1 63  ? -7.267  -3.095  13.465 0.500 10.554 0 61  GLU AAA CG  1 ? 
ATOM   574  C CG  B GLU A 1 63  ? -6.643  -3.356  12.627 0.500 11.022 0 61  GLU AAA CG  1 ? 
ATOM   575  C CD  A GLU A 1 63  ? -8.134  -2.861  14.726 0.500 10.480 0 61  GLU AAA CD  1 ? 
ATOM   576  C CD  B GLU A 1 63  ? -5.891  -4.623  12.295 0.500 11.999 0 61  GLU AAA CD  1 ? 
ATOM   577  O OE1 A GLU A 1 63  ? -8.037  -1.731  15.324 0.500 6.889  0 61  GLU AAA OE1 1 ? 
ATOM   578  O OE1 B GLU A 1 63  ? -4.929  -4.507  11.495 0.500 14.096 0 61  GLU AAA OE1 1 ? 
ATOM   579  O OE2 A GLU A 1 63  ? -8.953  -3.852  15.178 0.500 11.122 0 61  GLU AAA OE2 1 ? 
ATOM   580  O OE2 B GLU A 1 63  ? -6.234  -5.677  12.839 0.500 13.327 0 61  GLU AAA OE2 1 ? 
ATOM   581  N N   . GLY A 1 64  ? -3.567  -0.205  14.648 1.000 9.590  0 62  GLY AAA N   1 ? 
ATOM   582  C CA  . GLY A 1 64  ? -2.608  0.913   14.579 1.000 9.776  0 62  GLY AAA CA  1 ? 
ATOM   583  C C   . GLY A 1 64  ? -3.052  2.049   13.656 1.000 9.464  0 62  GLY AAA C   1 ? 
ATOM   584  O O   . GLY A 1 64  ? -2.166  2.831   13.212 1.000 10.602 0 62  GLY AAA O   1 ? 
ATOM   585  N N   . THR A 1 65  ? -4.345  2.178   13.358 1.000 9.332  0 63  THR AAA N   1 ? 
ATOM   586  C CA  . THR A 1 65  ? -4.899  3.171   12.393 1.000 9.932  0 63  THR AAA CA  1 ? 
ATOM   587  C C   . THR A 1 65  ? -5.507  4.360   13.114 1.000 9.862  0 63  THR AAA C   1 ? 
ATOM   588  O O   . THR A 1 65  ? -5.800  5.373   12.440 1.000 11.230 0 63  THR AAA O   1 ? 
ATOM   589  C CB  . THR A 1 65  ? -5.931  2.563   11.439 1.000 11.101 0 63  THR AAA CB  1 ? 
ATOM   590  O OG1 . THR A 1 65  ? -6.957  1.972   12.218 1.000 9.584  0 63  THR AAA OG1 1 ? 
ATOM   591  C CG2 . THR A 1 65  ? -5.362  1.481   10.559 1.000 11.727 0 63  THR AAA CG2 1 ? 
ATOM   592  N N   . ARG A 1 66  ? -5.698  4.249   14.431 1.000 9.185  0 64  ARG AAA N   1 ? 
ATOM   593  C CA  . ARG A 1 66  ? -6.251  5.307   15.295 1.000 9.709  0 64  ARG AAA CA  1 ? 
ATOM   594  C C   . ARG A 1 66  ? -5.353  5.453   16.510 1.000 9.034  0 64  ARG AAA C   1 ? 
ATOM   595  O O   . ARG A 1 66  ? -5.073  4.432   17.182 1.000 9.363  0 64  ARG AAA O   1 ? 
ATOM   596  C CB  . ARG A 1 66  ? -7.675  5.009   15.742 1.000 10.083 0 64  ARG AAA CB  1 ? 
ATOM   597  C CG  . ARG A 1 66  ? -8.646  4.987   14.582 1.000 11.397 0 64  ARG AAA CG  1 ? 
ATOM   598  C CD  . ARG A 1 66  ? -8.844  6.399   14.075 1.000 13.504 0 64  ARG AAA CD  1 ? 
ATOM   599  N NE  . ARG A 1 66  ? -9.889  6.492   13.067 1.000 15.349 0 64  ARG AAA NE  1 ? 
ATOM   600  C CZ  . ARG A 1 66  ? -9.769  6.072   11.809 1.000 17.101 0 64  ARG AAA CZ  1 ? 
ATOM   601  N NH1 . ARG A 1 66  ? -8.619  5.584   11.346 1.000 17.723 0 64  ARG AAA NH1 1 ? 
ATOM   602  N NH2 . ARG A 1 66  ? -10.804 6.212   10.995 1.000 18.637 0 64  ARG AAA NH2 1 ? 
ATOM   603  N N   . TRP A 1 67  ? -4.862  6.677   16.711 1.000 8.405  0 65  TRP AAA N   1 ? 
ATOM   604  C CA  . TRP A 1 67  ? -3.960  7.006   17.834 1.000 7.960  0 65  TRP AAA CA  1 ? 
ATOM   605  C C   . TRP A 1 67  ? -4.637  8.052   18.696 1.000 8.429  0 65  TRP AAA C   1 ? 
ATOM   606  O O   . TRP A 1 67  ? -5.349  8.921   18.159 1.000 8.438  0 65  TRP AAA O   1 ? 
ATOM   607  C CB  . TRP A 1 67  ? -2.610  7.490   17.293 1.000 7.293  0 65  TRP AAA CB  1 ? 
ATOM   608  C CG  . TRP A 1 67  ? -1.896  6.396   16.578 1.000 6.789  0 65  TRP AAA CG  1 ? 
ATOM   609  C CD1 . TRP A 1 67  ? -2.121  5.900   15.327 1.000 6.558  0 65  TRP AAA CD1 1 ? 
ATOM   610  C CD2 . TRP A 1 67  ? -0.841  5.604   17.142 1.000 6.504  0 65  TRP AAA CD2 1 ? 
ATOM   611  N NE1 . TRP A 1 67  ? -1.281  4.839   15.091 1.000 6.756  0 65  TRP AAA NE1 1 ? 
ATOM   612  C CE2 . TRP A 1 67  ? -0.475  4.651   16.175 1.000 6.501  0 65  TRP AAA CE2 1 ? 
ATOM   613  C CE3 . TRP A 1 67  ? -0.182  5.634   18.373 1.000 6.183  0 65  TRP AAA CE3 1 ? 
ATOM   614  C CZ2 . TRP A 1 67  ? 0.542   3.731   16.416 1.000 6.825  0 65  TRP AAA CZ2 1 ? 
ATOM   615  C CZ3 . TRP A 1 67  ? 0.829   4.721   18.616 1.000 6.803  0 65  TRP AAA CZ3 1 ? 
ATOM   616  C CH2 . TRP A 1 67  ? 1.179   3.778   17.628 1.000 6.719  0 65  TRP AAA CH2 1 ? 
ATOM   617  N N   . PHE A 1 68  ? -4.472  7.933   19.998 1.000 8.878  0 66  PHE AAA N   1 ? 
ATOM   618  C CA  . PHE A 1 68  ? -5.070  8.885   20.950 1.000 9.916  0 66  PHE AAA CA  1 ? 
ATOM   619  C C   . PHE A 1 68  ? -4.245  8.862   22.226 1.000 10.542 0 66  PHE AAA C   1 ? 
ATOM   620  O O   . PHE A 1 68  ? -3.604  7.831   22.561 1.000 10.054 0 66  PHE AAA O   1 ? 
ATOM   621  C CB  . PHE A 1 68  ? -6.523  8.502   21.231 1.000 10.755 0 66  PHE AAA CB  1 ? 
ATOM   622  C CG  . PHE A 1 68  ? -6.703  7.069   21.633 1.000 12.397 0 66  PHE AAA CG  1 ? 
ATOM   623  C CD1 . PHE A 1 68  ? -6.809  6.732   22.964 1.000 14.754 0 66  PHE AAA CD1 1 ? 
ATOM   624  C CD2 . PHE A 1 68  ? -6.773  6.072   20.670 1.000 14.353 0 66  PHE AAA CD2 1 ? 
ATOM   625  C CE1 . PHE A 1 68  ? -6.959  5.404   23.322 1.000 16.228 0 66  PHE AAA CE1 1 ? 
ATOM   626  C CE2 . PHE A 1 68  ? -6.921  4.743   21.038 1.000 15.395 0 66  PHE AAA CE2 1 ? 
ATOM   627  C CZ  . PHE A 1 68  ? -7.001  4.419   22.363 1.000 15.317 0 66  PHE AAA CZ  1 ? 
ATOM   628  N N   . GLY A 1 69  ? -4.288  9.971   22.952 1.000 11.095 0 67  GLY AAA N   1 ? 
ATOM   629  C CA  . GLY A 1 69  ? -3.637  10.078  24.262 1.000 10.887 0 67  GLY AAA CA  1 ? 
ATOM   630  C C   . GLY A 1 69  ? -3.685  11.499  24.729 1.000 11.055 0 67  GLY AAA C   1 ? 
ATOM   631  O O   . GLY A 1 69  ? -4.743  12.161  24.525 1.000 10.916 0 67  GLY AAA O   1 ? 
ATOM   632  N N   . LYS A 1 70  ? -2.600  11.928  25.349 1.000 11.275 0 68  LYS AAA N   1 ? 
ATOM   633  C CA  . LYS A 1 70  ? -2.546  13.218  26.057 1.000 12.475 0 68  LYS AAA CA  1 ? 
ATOM   634  C C   . LYS A 1 70  ? -1.202  13.831  25.723 1.000 11.739 0 68  LYS AAA C   1 ? 
ATOM   635  O O   . LYS A 1 70  ? -0.285  13.051  25.493 1.000 11.543 0 68  LYS AAA O   1 ? 
ATOM   636  C CB  . LYS A 1 70  ? -2.690  12.995  27.565 1.000 14.600 0 68  LYS AAA CB  1 ? 
ATOM   637  C CG  . LYS A 1 70  ? -4.128  12.844  28.037 1.000 19.549 0 68  LYS AAA CG  1 ? 
ATOM   638  C CD  . LYS A 1 70  ? -4.271  12.138  29.372 1.000 21.849 0 68  LYS AAA CD  1 ? 
ATOM   639  C CE  . LYS A 1 70  ? -5.727  11.825  29.670 1.000 24.049 0 68  LYS AAA CE  1 ? 
ATOM   640  N NZ  . LYS A 1 70  ? -6.494  13.069  29.928 1.000 26.093 0 68  LYS AAA NZ  1 ? 
ATOM   641  N N   . CYS A 1 71  ? -1.118  15.163  25.730 1.000 10.737 0 69  CYS AAA N   1 ? 
ATOM   642  C CA  . CYS A 1 71  ? 0.167   15.895  25.779 1.000 10.318 0 69  CYS AAA CA  1 ? 
ATOM   643  C C   . CYS A 1 71  ? 0.055   16.922  26.909 1.000 11.202 0 69  CYS AAA C   1 ? 
ATOM   644  O O   . CYS A 1 71  ? -1.056  17.258  27.321 1.000 10.228 0 69  CYS AAA O   1 ? 
ATOM   645  C CB  . CYS A 1 71  ? 0.492   16.527  24.428 1.000 9.805  0 69  CYS AAA CB  1 ? 
ATOM   646  S SG  . CYS A 1 71  ? -0.582  17.914  23.988 1.000 10.572 0 69  CYS AAA SG  1 ? 
ATOM   647  N N   . TRP A 1 72  ? 1.191   17.301  27.472 1.000 12.153 0 70  TRP AAA N   1 ? 
ATOM   648  C CA  . TRP A 1 72  ? 1.343   18.233  28.612 1.000 14.419 0 70  TRP AAA CA  1 ? 
ATOM   649  C C   . TRP A 1 72  ? 2.277   19.343  28.134 1.000 13.949 0 70  TRP AAA C   1 ? 
ATOM   650  O O   . TRP A 1 72  ? 3.232   19.056  27.430 1.000 14.423 0 70  TRP AAA O   1 ? 
ATOM   651  C CB  . TRP A 1 72  ? 1.963   17.508  29.824 1.000 15.279 0 70  TRP AAA CB  1 ? 
ATOM   652  C CG  . TRP A 1 72  ? 1.082   16.428  30.345 1.000 18.727 0 70  TRP AAA CG  1 ? 
ATOM   653  C CD1 . TRP A 1 72  ? -0.041  16.607  31.102 1.000 20.358 0 70  TRP AAA CD1 1 ? 
ATOM   654  C CD2 . TRP A 1 72  ? 1.189   15.013  30.105 1.000 19.582 0 70  TRP AAA CD2 1 ? 
ATOM   655  N NE1 . TRP A 1 72  ? -0.645  15.401  31.343 1.000 20.566 0 70  TRP AAA NE1 1 ? 
ATOM   656  C CE2 . TRP A 1 72  ? 0.081   14.405  30.748 1.000 21.111 0 70  TRP AAA CE2 1 ? 
ATOM   657  C CE3 . TRP A 1 72  ? 2.087   14.205  29.402 1.000 20.871 0 70  TRP AAA CE3 1 ? 
ATOM   658  C CZ2 . TRP A 1 72  ? -0.132  13.024  30.733 1.000 21.606 0 70  TRP AAA CZ2 1 ? 
ATOM   659  C CZ3 . TRP A 1 72  ? 1.887   12.842  29.398 1.000 20.921 0 70  TRP AAA CZ3 1 ? 
ATOM   660  C CH2 . TRP A 1 72  ? 0.780   12.266  30.032 1.000 22.304 0 70  TRP AAA CH2 1 ? 
ATOM   661  N N   . TYR A 1 73  ? 2.039   20.561  28.576 1.000 12.016 0 71  TYR AAA N   1 ? 
ATOM   662  C CA  . TYR A 1 73  ? 2.856   21.739  28.225 1.000 10.958 0 71  TYR AAA CA  1 ? 
ATOM   663  C C   . TYR A 1 73  ? 3.000   22.508  29.530 1.000 11.512 0 71  TYR AAA C   1 ? 
ATOM   664  O O   . TYR A 1 73  ? 1.992   22.775  30.192 1.000 11.484 0 71  TYR AAA O   1 ? 
ATOM   665  C CB  . TYR A 1 73  ? 2.200   22.569  27.122 1.000 12.240 0 71  TYR AAA CB  1 ? 
ATOM   666  C CG  . TYR A 1 73  ? 3.037   23.752  26.710 1.000 13.058 0 71  TYR AAA CG  1 ? 
ATOM   667  C CD1 . TYR A 1 73  ? 4.064   23.597  25.797 1.000 14.098 0 71  TYR AAA CD1 1 ? 
ATOM   668  C CD2 . TYR A 1 73  ? 2.882   24.988  27.311 1.000 14.313 0 71  TYR AAA CD2 1 ? 
ATOM   669  C CE1 . TYR A 1 73  ? 4.912   24.634  25.465 1.000 14.042 0 71  TYR AAA CE1 1 ? 
ATOM   670  C CE2 . TYR A 1 73  ? 3.722   26.045  26.989 1.000 14.094 0 71  TYR AAA CE2 1 ? 
ATOM   671  C CZ  . TYR A 1 73  ? 4.749   25.863  26.078 1.000 14.846 0 71  TYR AAA CZ  1 ? 
ATOM   672  O OH  . TYR A 1 73  ? 5.595   26.881  25.738 1.000 14.303 0 71  TYR AAA OH  1 ? 
ATOM   673  N N   . ILE A 1 74  ? 4.230   22.834  29.871 1.000 11.994 0 72  ILE AAA N   1 ? 
ATOM   674  C CA  . ILE A 1 74  ? 4.527   23.535  31.141 1.000 13.659 0 72  ILE AAA CA  1 ? 
ATOM   675  C C   . ILE A 1 74  ? 4.792   24.991  30.808 1.000 12.761 0 72  ILE AAA C   1 ? 
ATOM   676  O O   . ILE A 1 74  ? 5.527   25.297  29.825 1.000 11.755 0 72  ILE AAA O   1 ? 
ATOM   677  C CB  . ILE A 1 74  ? 5.701   22.874  31.868 1.000 15.809 0 72  ILE AAA CB  1 ? 
ATOM   678  C CG1 . ILE A 1 74  ? 5.371   21.406  32.159 1.000 18.371 0 72  ILE AAA CG1 1 ? 
ATOM   679  C CG2 . ILE A 1 74  ? 6.035   23.680  33.112 1.000 16.127 0 72  ILE AAA CG2 1 ? 
ATOM   680  C CD1 . ILE A 1 74  ? 6.382   20.682  33.024 1.000 20.226 0 72  ILE AAA CD1 1 ? 
ATOM   681  N N   . HIS A 1 75  ? 4.165   25.879  31.556 1.000 13.496 0 73  HIS AAA N   1 ? 
ATOM   682  C CA  . HIS A 1 75  ? 4.358   27.337  31.406 1.000 13.741 0 73  HIS AAA CA  1 ? 
ATOM   683  C C   . HIS A 1 75  ? 4.355   27.984  32.793 1.000 13.879 0 73  HIS AAA C   1 ? 
ATOM   684  O O   . HIS A 1 75  ? 3.400   27.728  33.583 1.000 12.170 0 73  HIS AAA O   1 ? 
ATOM   685  C CB  . HIS A 1 75  ? 3.283   27.895  30.483 1.000 14.304 0 73  HIS AAA CB  1 ? 
ATOM   686  C CG  . HIS A 1 75  ? 3.573   29.271  30.031 1.000 15.381 0 73  HIS AAA CG  1 ? 
ATOM   687  N ND1 . HIS A 1 75  ? 2.980   30.374  30.601 1.000 18.021 0 73  HIS AAA ND1 1 ? 
ATOM   688  C CD2 . HIS A 1 75  ? 4.407   29.729  29.077 1.000 14.759 0 73  HIS AAA CD2 1 ? 
ATOM   689  C CE1 . HIS A 1 75  ? 3.425   31.454  30.003 1.000 17.721 0 73  HIS AAA CE1 1 ? 
ATOM   690  N NE2 . HIS A 1 75  ? 4.295   31.085  29.074 1.000 17.950 0 73  HIS AAA NE2 1 ? 
ATOM   691  N N   . ASP A 1 76  ? 5.439   28.691  33.131 1.000 12.991 0 74  ASP AAA N   1 ? 
ATOM   692  C CA  . ASP A 1 76  ? 5.591   29.320  34.475 1.000 13.450 0 74  ASP AAA CA  1 ? 
ATOM   693  C C   . ASP A 1 76  ? 5.297   28.273  35.555 1.000 12.462 0 74  ASP AAA C   1 ? 
ATOM   694  O O   . ASP A 1 76  ? 4.557   28.614  36.502 1.000 11.717 0 74  ASP AAA O   1 ? 
ATOM   695  C CB  . ASP A 1 76  ? 4.643   30.516  34.660 1.000 14.518 0 74  ASP AAA CB  1 ? 
ATOM   696  C CG  . ASP A 1 76  ? 4.914   31.707  33.766 1.000 15.759 0 74  ASP AAA CG  1 ? 
ATOM   697  O OD1 . ASP A 1 76  ? 6.032   31.790  33.214 1.000 16.866 0 74  ASP AAA OD1 1 ? 
ATOM   698  O OD2 . ASP A 1 76  ? 3.975   32.528  33.577 1.000 17.518 0 74  ASP AAA OD2 1 ? 
ATOM   699  N N   . LEU A 1 77  ? 5.766   27.042  35.331 1.000 11.998 0 75  LEU AAA N   1 ? 
ATOM   700  C CA  . LEU A 1 77  ? 5.824   25.886  36.245 1.000 12.310 0 75  LEU AAA CA  1 ? 
ATOM   701  C C   . LEU A 1 77  ? 4.451   25.220  36.390 1.000 12.394 0 75  LEU AAA C   1 ? 
ATOM   702  O O   . LEU A 1 77  ? 4.369   24.219  37.118 1.000 14.013 0 75  LEU AAA O   1 ? 
ATOM   703  C CB  . LEU A 1 77  ? 6.381   26.332  37.603 1.000 12.059 0 75  LEU AAA CB  1 ? 
ATOM   704  C CG  . LEU A 1 77  ? 7.827   26.807  37.608 1.000 12.211 0 75  LEU AAA CG  1 ? 
ATOM   705  C CD1 . LEU A 1 77  ? 8.220   27.160  39.038 1.000 13.496 0 75  LEU AAA CD1 1 ? 
ATOM   706  C CD2 . LEU A 1 77  ? 8.772   25.721  37.069 1.000 13.466 0 75  LEU AAA CD2 1 ? 
ATOM   707  N N   . LEU A 1 78  ? 3.426   25.714  35.700 1.000 10.759 0 76  LEU AAA N   1 ? 
ATOM   708  C CA  . LEU A 1 78  ? 2.086   25.042  35.679 1.000 11.476 0 76  LEU AAA CA  1 ? 
ATOM   709  C C   . LEU A 1 78  ? 2.008   24.114  34.468 1.000 11.641 0 76  LEU AAA C   1 ? 
ATOM   710  O O   . LEU A 1 78  ? 2.391   24.513  33.363 1.000 9.689  0 76  LEU AAA O   1 ? 
ATOM   711  C CB  . LEU A 1 78  ? 0.981   26.087  35.612 1.000 10.853 0 76  LEU AAA CB  1 ? 
ATOM   712  C CG  . LEU A 1 78  ? 0.935   27.060  36.783 1.000 12.688 0 76  LEU AAA CG  1 ? 
ATOM   713  C CD1 . LEU A 1 78  ? -0.187  28.094  36.627 1.000 12.795 0 76  LEU AAA CD1 1 ? 
ATOM   714  C CD2 . LEU A 1 78  ? 0.810   26.280  38.075 1.000 12.436 0 76  LEU AAA CD2 1 ? 
ATOM   715  N N   . LYS A 1 79  ? 1.507   22.906  34.677 1.000 12.958 0 77  LYS AAA N   1 ? 
ATOM   716  C CA  . LYS A 1 79  ? 1.442   21.878  33.614 1.000 14.826 0 77  LYS AAA CA  1 ? 
ATOM   717  C C   . LYS A 1 79  ? 0.006   21.838  33.092 1.000 13.737 0 77  LYS AAA C   1 ? 
ATOM   718  O O   . LYS A 1 79  ? -0.880  21.651  33.907 1.000 15.439 0 77  LYS AAA O   1 ? 
ATOM   719  C CB  . LYS A 1 79  ? 1.876   20.517  34.154 1.000 19.238 0 77  LYS AAA CB  1 ? 
ATOM   720  C CG  . LYS A 1 79  ? 1.814   19.391  33.129 1.000 23.024 0 77  LYS AAA CG  1 ? 
ATOM   721  C CD  . LYS A 1 79  ? 2.589   18.170  33.574 1.000 29.048 0 77  LYS AAA CD  1 ? 
ATOM   722  C CE  . LYS A 1 79  ? 1.817   17.335  34.571 1.000 35.133 0 77  LYS AAA CE  1 ? 
ATOM   723  N NZ  . LYS A 1 79  ? 2.519   16.051  34.851 1.000 37.828 0 77  LYS AAA NZ  1 ? 
ATOM   724  N N   . TYR A 1 80  ? -0.193  22.065  31.796 1.000 12.520 0 78  TYR AAA N   1 ? 
ATOM   725  C CA  . TYR A 1 80  ? -1.501  22.063  31.092 1.000 12.635 0 78  TYR AAA CA  1 ? 
ATOM   726  C C   . TYR A 1 80  ? -1.640  20.754  30.311 1.000 12.518 0 78  TYR AAA C   1 ? 
ATOM   727  O O   . TYR A 1 80  ? -0.666  20.352  29.634 1.000 12.413 0 78  TYR AAA O   1 ? 
ATOM   728  C CB  . TYR A 1 80  ? -1.576  23.268  30.169 1.000 13.160 0 78  TYR AAA CB  1 ? 
ATOM   729  C CG  . TYR A 1 80  ? -1.505  24.577  30.905 1.000 13.192 0 78  TYR AAA CG  1 ? 
ATOM   730  C CD1 . TYR A 1 80  ? -2.655  25.289  31.199 1.000 14.493 0 78  TYR AAA CD1 1 ? 
ATOM   731  C CD2 . TYR A 1 80  ? -0.294  25.071  31.361 1.000 13.588 0 78  TYR AAA CD2 1 ? 
ATOM   732  C CE1 . TYR A 1 80  ? -2.605  26.478  31.900 1.000 13.256 0 78  TYR AAA CE1 1 ? 
ATOM   733  C CE2 . TYR A 1 80  ? -0.222  26.269  32.064 1.000 12.877 0 78  TYR AAA CE2 1 ? 
ATOM   734  C CZ  . TYR A 1 80  ? -1.385  26.974  32.336 1.000 14.146 0 78  TYR AAA CZ  1 ? 
ATOM   735  O OH  . TYR A 1 80  ? -1.366  28.170  33.025 1.000 13.293 0 78  TYR AAA OH  1 ? 
ATOM   736  N N   . GLU A 1 81  ? -2.805  20.121  30.356 1.000 11.519 0 79  GLU AAA N   1 ? 
ATOM   737  C CA  . GLU A 1 81  ? -2.980  18.796  29.713 1.000 12.249 0 79  GLU AAA CA  1 ? 
ATOM   738  C C   . GLU A 1 81  ? -4.008  18.950  28.616 1.000 11.312 0 79  GLU AAA C   1 ? 
ATOM   739  O O   . GLU A 1 81  ? -5.022  19.644  28.876 1.000 12.562 0 79  GLU AAA O   1 ? 
ATOM   740  C CB  . GLU A 1 81  ? -3.400  17.760  30.758 1.000 13.370 0 79  GLU AAA CB  1 ? 
ATOM   741  C CG  . GLU A 1 81  ? -3.808  16.398  30.190 1.000 16.606 0 79  GLU AAA CG  1 ? 
ATOM   742  C CD  . GLU A 1 81  ? -4.267  15.432  31.280 1.000 17.691 0 79  GLU AAA CD  1 ? 
ATOM   743  O OE1 . GLU A 1 81  ? -3.397  14.946  32.024 1.000 21.887 0 79  GLU AAA OE1 1 ? 
ATOM   744  O OE2 . GLU A 1 81  ? -5.481  15.201  31.412 1.000 19.659 0 79  GLU AAA OE2 1 ? 
ATOM   745  N N   . PHE A 1 82  ? -3.761  18.334  27.455 1.000 10.382 0 80  PHE AAA N   1 ? 
ATOM   746  C CA  . PHE A 1 82  ? -4.693  18.318  26.306 1.000 11.378 0 80  PHE AAA CA  1 ? 
ATOM   747  C C   . PHE A 1 82  ? -4.840  16.897  25.760 1.000 11.230 0 80  PHE AAA C   1 ? 
ATOM   748  O O   . PHE A 1 82  ? -3.853  16.169  25.615 1.000 11.657 0 80  PHE AAA O   1 ? 
ATOM   749  C CB  . PHE A 1 82  ? -4.188  19.243  25.217 1.000 11.984 0 80  PHE AAA CB  1 ? 
ATOM   750  C CG  . PHE A 1 82  ? -3.854  20.625  25.716 1.000 12.422 0 80  PHE AAA CG  1 ? 
ATOM   751  C CD1 . PHE A 1 82  ? -4.835  21.586  25.881 1.000 13.564 0 80  PHE AAA CD1 1 ? 
ATOM   752  C CD2 . PHE A 1 82  ? -2.552  20.938  26.059 1.000 13.489 0 80  PHE AAA CD2 1 ? 
ATOM   753  C CE1 . PHE A 1 82  ? -4.507  22.861  26.320 1.000 14.599 0 80  PHE AAA CE1 1 ? 
ATOM   754  C CE2 . PHE A 1 82  ? -2.226  22.198  26.526 1.000 14.480 0 80  PHE AAA CE2 1 ? 
ATOM   755  C CZ  . PHE A 1 82  ? -3.200  23.170  26.635 1.000 14.139 0 80  PHE AAA CZ  1 ? 
ATOM   756  N N   . ASP A 1 83  ? -6.073  16.508  25.476 1.000 11.038 0 81  ASP AAA N   1 ? 
ATOM   757  C CA  . ASP A 1 83  ? -6.344  15.224  24.799 1.000 10.939 0 81  ASP AAA CA  1 ? 
ATOM   758  C C   . ASP A 1 83  ? -6.026  15.405  23.314 1.000 9.454  0 81  ASP AAA C   1 ? 
ATOM   759  O O   . ASP A 1 83  ? -6.328  16.467  22.765 1.000 8.626  0 81  ASP AAA O   1 ? 
ATOM   760  C CB  . ASP A 1 83  ? -7.764  14.786  25.086 1.000 12.892 0 81  ASP AAA CB  1 ? 
ATOM   761  C CG  . ASP A 1 83  ? -7.956  14.433  26.547 1.000 16.248 0 81  ASP AAA CG  1 ? 
ATOM   762  O OD1 . ASP A 1 83  ? -7.052  13.840  27.138 1.000 16.555 0 81  ASP AAA OD1 1 ? 
ATOM   763  O OD2 . ASP A 1 83  ? -9.010  14.763  27.075 1.000 24.926 0 81  ASP AAA OD2 1 ? 
ATOM   764  N N   . ILE A 1 84  ? -5.353  14.421  22.727 1.000 8.398  0 82  ILE AAA N   1 ? 
ATOM   765  C CA  . ILE A 1 84  ? -4.978  14.462  21.286 1.000 8.553  0 82  ILE AAA CA  1 ? 
ATOM   766  C C   . ILE A 1 84  ? -5.421  13.172  20.618 1.000 8.373  0 82  ILE AAA C   1 ? 
ATOM   767  O O   . ILE A 1 84  ? -5.532  12.099  21.314 1.000 8.197  0 82  ILE AAA O   1 ? 
ATOM   768  C CB  . ILE A 1 84  ? -3.465  14.693  21.114 1.000 8.217  0 82  ILE AAA CB  1 ? 
ATOM   769  C CG1 . ILE A 1 84  ? -2.634  13.524  21.673 1.000 8.640  0 82  ILE AAA CG1 1 ? 
ATOM   770  C CG2 . ILE A 1 84  ? -3.065  16.039  21.735 1.000 8.703  0 82  ILE AAA CG2 1 ? 
ATOM   771  C CD1 . ILE A 1 84  ? -1.138  13.694  21.521 1.000 8.697  0 82  ILE AAA CD1 1 ? 
ATOM   772  N N   . GLU A 1 85  ? -5.571  13.238  19.306 1.000 9.006  0 83  GLU AAA N   1 ? 
ATOM   773  C CA  . GLU A 1 85  ? -5.958  12.065  18.502 1.000 9.332  0 83  GLU AAA CA  1 ? 
ATOM   774  C C   . GLU A 1 85  ? -5.527  12.303  17.062 1.000 9.176  0 83  GLU AAA C   1 ? 
ATOM   775  O O   . GLU A 1 85  ? -5.381  13.472  16.616 1.000 10.217 0 83  GLU AAA O   1 ? 
ATOM   776  C CB  . GLU A 1 85  ? -7.457  11.729  18.625 1.000 10.825 0 83  GLU AAA CB  1 ? 
ATOM   777  C CG  . GLU A 1 85  ? -8.397  12.822  18.172 1.000 12.395 0 83  GLU AAA CG  1 ? 
ATOM   778  C CD  . GLU A 1 85  ? -9.865  12.564  18.505 1.000 14.521 0 83  GLU AAA CD  1 ? 
ATOM   779  O OE1 . GLU A 1 85  ? -10.189 12.219  19.641 1.000 15.375 0 83  GLU AAA OE1 1 ? 
ATOM   780  O OE2 . GLU A 1 85  ? -10.668 12.663  17.605 1.000 21.989 0 83  GLU AAA OE2 1 ? 
ATOM   781  N N   . PHE A 1 86  ? -5.349  11.213  16.344 1.000 8.823  0 84  PHE AAA N   1 ? 
ATOM   782  C CA  . PHE A 1 86  ? -5.224  11.272  14.871 1.000 8.541  0 84  PHE AAA CA  1 ? 
ATOM   783  C C   . PHE A 1 86  ? -5.515  9.931   14.231 1.000 9.145  0 84  PHE AAA C   1 ? 
ATOM   784  O O   . PHE A 1 86  ? -5.340  8.902   14.845 1.000 8.697  0 84  PHE AAA O   1 ? 
ATOM   785  C CB  . PHE A 1 86  ? -3.864  11.809  14.435 1.000 8.451  0 84  PHE AAA CB  1 ? 
ATOM   786  C CG  . PHE A 1 86  ? -2.656  11.125  15.020 1.000 8.199  0 84  PHE AAA CG  1 ? 
ATOM   787  C CD1 . PHE A 1 86  ? -2.049  10.078  14.351 1.000 8.245  0 84  PHE AAA CD1 1 ? 
ATOM   788  C CD2 . PHE A 1 86  ? -2.129  11.536  16.250 1.000 8.127  0 84  PHE AAA CD2 1 ? 
ATOM   789  C CE1 . PHE A 1 86  ? -0.915  9.477   14.880 1.000 7.983  0 84  PHE AAA CE1 1 ? 
ATOM   790  C CE2 . PHE A 1 86  ? -1.007  10.911  16.786 1.000 8.207  0 84  PHE AAA CE2 1 ? 
ATOM   791  C CZ  . PHE A 1 86  ? -0.388  9.897   16.083 1.000 7.864  0 84  PHE AAA CZ  1 ? 
ATOM   792  N N   . ASP A 1 87  ? -5.935  9.986   12.960 1.000 10.263 0 85  ASP AAA N   1 ? 
ATOM   793  C CA  . ASP A 1 87  ? -6.067  8.807   12.075 1.000 11.271 0 85  ASP AAA CA  1 ? 
ATOM   794  C C   . ASP A 1 87  ? -4.770  8.664   11.288 1.000 10.455 0 85  ASP AAA C   1 ? 
ATOM   795  O O   . ASP A 1 87  ? -4.085  9.681   11.046 1.000 10.358 0 85  ASP AAA O   1 ? 
ATOM   796  C CB  . ASP A 1 87  ? -7.188  8.970   11.055 1.000 13.374 0 85  ASP AAA CB  1 ? 
ATOM   797  C CG  . ASP A 1 87  ? -8.559  9.325   11.605 1.000 17.818 0 85  ASP AAA CG  1 ? 
ATOM   798  O OD1 . ASP A 1 87  ? -8.762  9.256   12.836 1.000 21.334 0 85  ASP AAA OD1 1 ? 
ATOM   799  O OD2 . ASP A 1 87  ? -9.405  9.725   10.765 1.000 22.232 0 85  ASP AAA OD2 1 ? 
ATOM   800  N N   . ILE A 1 88  ? -4.426  7.441   10.916 1.000 9.432  0 86  ILE AAA N   1 ? 
ATOM   801  C CA  . ILE A 1 88  ? -3.338  7.181   9.929  1.000 9.870  0 86  ILE AAA CA  1 ? 
ATOM   802  C C   . ILE A 1 88  ? -3.944  7.197   8.532  1.000 10.383 0 86  ILE AAA C   1 ? 
ATOM   803  O O   . ILE A 1 88  ? -4.804  6.385   8.229  1.000 10.307 0 86  ILE AAA O   1 ? 
ATOM   804  C CB  . ILE A 1 88  ? -2.645  5.830   10.172 1.000 9.652  0 86  ILE AAA CB  1 ? 
ATOM   805  C CG1 . ILE A 1 88  ? -2.079  5.746   11.593 1.000 9.617  0 86  ILE AAA CG1 1 ? 
ATOM   806  C CG2 . ILE A 1 88  ? -1.594  5.569   9.096  1.000 10.183 0 86  ILE AAA CG2 1 ? 
ATOM   807  C CD1 . ILE A 1 88  ? -1.040  6.811   11.930 1.000 10.114 0 86  ILE AAA CD1 1 ? 
ATOM   808  N N   . PRO A 1 89  ? -3.490  8.093   7.641  1.000 11.769 0 87  PRO AAA N   1 ? 
ATOM   809  C CA  . PRO A 1 89  ? -3.996  8.105   6.276  1.000 11.985 0 87  PRO AAA CA  1 ? 
ATOM   810  C C   . PRO A 1 89  ? -3.624  6.828   5.518  1.000 11.839 0 87  PRO AAA C   1 ? 
ATOM   811  O O   . PRO A 1 89  ? -2.582  6.242   5.756  1.000 10.065 0 87  PRO AAA O   1 ? 
ATOM   812  C CB  . PRO A 1 89  ? -3.367  9.337   5.601  1.000 13.252 0 87  PRO AAA CB  1 ? 
ATOM   813  C CG  . PRO A 1 89  ? -2.301  9.839   6.554  1.000 13.710 0 87  PRO AAA CG  1 ? 
ATOM   814  C CD  . PRO A 1 89  ? -2.525  9.167   7.907  1.000 11.927 0 87  PRO AAA CD  1 ? 
ATOM   815  N N   . ILE A 1 90  ? -4.437  6.508   4.525  1.000 12.628 0 88  ILE AAA N   1 ? 
ATOM   816  C CA  . ILE A 1 90  ? -4.219  5.304   3.696  1.000 14.122 0 88  ILE AAA CA  1 ? 
ATOM   817  C C   . ILE A 1 90  ? -2.860  5.426   2.994  1.000 11.987 0 88  ILE AAA C   1 ? 
ATOM   818  O O   . ILE A 1 90  ? -2.213  4.400   2.825  1.000 14.021 0 88  ILE AAA O   1 ? 
ATOM   819  C CB  . ILE A 1 90  ? -5.396  5.149   2.719  1.000 18.082 0 88  ILE AAA CB  1 ? 
ATOM   820  C CG1 . ILE A 1 90  ? -6.683  4.885   3.497  1.000 21.496 0 88  ILE AAA CG1 1 ? 
ATOM   821  C CG2 . ILE A 1 90  ? -5.096  4.062   1.696  1.000 20.926 0 88  ILE AAA CG2 1 ? 
ATOM   822  C CD1 . ILE A 1 90  ? -6.629  3.659   4.398  1.000 22.443 0 88  ILE AAA CD1 1 ? 
ATOM   823  N N   . THR A 1 91  ? -2.416  6.646   2.666  1.000 10.784 0 89  THR AAA N   1 ? 
ATOM   824  C CA  . THR A 1 91  ? -1.166  6.923   1.899  1.000 9.526  0 89  THR AAA CA  1 ? 
ATOM   825  C C   . THR A 1 91  ? 0.007   7.237   2.835  1.000 8.415  0 89  THR AAA C   1 ? 
ATOM   826  O O   . THR A 1 91  ? 1.130   7.591   2.372  1.000 7.645  0 89  THR AAA O   1 ? 
ATOM   827  C CB  . THR A 1 91  ? -1.387  8.046   0.876  1.000 10.810 0 89  THR AAA CB  1 ? 
ATOM   828  O OG1 . THR A 1 91  ? -1.943  9.151   1.570  1.000 9.619  0 89  THR AAA OG1 1 ? 
ATOM   829  C CG2 . THR A 1 91  ? -2.315  7.632   -0.248 1.000 11.156 0 89  THR AAA CG2 1 ? 
ATOM   830  N N   . TYR A 1 92  ? -0.180  7.025   4.129  1.000 7.994  0 90  TYR AAA N   1 ? 
ATOM   831  C CA  . TYR A 1 92  ? 0.945   6.969   5.083  1.000 7.213  0 90  TYR AAA CA  1 ? 
ATOM   832  C C   . TYR A 1 92  ? 1.951   5.944   4.567  1.000 7.106  0 90  TYR AAA C   1 ? 
ATOM   833  O O   . TYR A 1 92  ? 1.528   4.894   4.072  1.000 7.535  0 90  TYR AAA O   1 ? 
ATOM   834  C CB  . TYR A 1 92  ? 0.432   6.579   6.471  1.000 7.432  0 90  TYR AAA CB  1 ? 
ATOM   835  C CG  . TYR A 1 92  ? 1.446   6.763   7.580  1.000 6.896  0 90  TYR AAA CG  1 ? 
ATOM   836  C CD1 . TYR A 1 92  ? 1.747   8.033   8.049  1.000 6.959  0 90  TYR AAA CD1 1 ? 
ATOM   837  C CD2 . TYR A 1 92  ? 2.078   5.686   8.198  1.000 7.328  0 90  TYR AAA CD2 1 ? 
ATOM   838  C CE1 . TYR A 1 92  ? 2.665   8.248   9.070  1.000 6.491  0 90  TYR AAA CE1 1 ? 
ATOM   839  C CE2 . TYR A 1 92  ? 2.991   5.876   9.221  1.000 6.690  0 90  TYR AAA CE2 1 ? 
ATOM   840  C CZ  . TYR A 1 92  ? 3.291   7.162   9.651  1.000 6.922  0 90  TYR AAA CZ  1 ? 
ATOM   841  O OH  . TYR A 1 92  ? 4.209   7.390   10.625 1.000 6.071  0 90  TYR AAA OH  1 ? 
ATOM   842  N N   . PRO A 1 93  ? 3.282   6.090   4.768  1.000 6.929  0 91  PRO AAA N   1 ? 
ATOM   843  C CA  . PRO A 1 93  ? 3.915   7.206   5.485  1.000 6.816  0 91  PRO AAA CA  1 ? 
ATOM   844  C C   . PRO A 1 93  ? 4.389   8.354   4.600  1.000 7.296  0 91  PRO AAA C   1 ? 
ATOM   845  O O   . PRO A 1 93  ? 5.086   9.216   5.087  1.000 6.328  0 91  PRO AAA O   1 ? 
ATOM   846  C CB  . PRO A 1 93  ? 5.174   6.560   6.075  1.000 6.835  0 91  PRO AAA CB  1 ? 
ATOM   847  C CG  . PRO A 1 93  ? 5.567   5.506   5.053  1.000 6.693  0 91  PRO AAA CG  1 ? 
ATOM   848  C CD  . PRO A 1 93  ? 4.234   5.012   4.484  1.000 6.914  0 91  PRO AAA CD  1 ? 
ATOM   849  N N   . THR A 1 94  ? 4.033   8.316   3.308  1.000 7.435  0 92  THR AAA N   1 ? 
ATOM   850  C CA  . THR A 1 94  ? 4.374   9.397   2.376  1.000 7.638  0 92  THR AAA CA  1 ? 
ATOM   851  C C   . THR A 1 94  ? 3.542   10.615  2.769  1.000 7.998  0 92  THR AAA C   1 ? 
ATOM   852  O O   . THR A 1 94  ? 4.112   11.726  2.674  1.000 8.969  0 92  THR AAA O   1 ? 
ATOM   853  C CB  . THR A 1 94  ? 4.256   8.961   0.906  1.000 7.531  0 92  THR AAA CB  1 ? 
ATOM   854  O OG1 . THR A 1 94  ? 5.127   7.837   0.725  1.000 7.369  0 92  THR AAA OG1 1 ? 
ATOM   855  C CG2 . THR A 1 94  ? 4.625   10.047  -0.079 1.000 7.496  0 92  THR AAA CG2 1 ? 
ATOM   856  N N   . THR A 1 95  ? 2.264   10.441  3.115  1.000 8.364  0 93  THR AAA N   1 ? 
ATOM   857  C CA  . THR A 1 95  ? 1.350   11.495  3.604  1.000 9.473  0 93  THR AAA CA  1 ? 
ATOM   858  C C   . THR A 1 95  ? 1.489   11.524  5.125  1.000 9.810  0 93  THR AAA C   1 ? 
ATOM   859  O O   . THR A 1 95  ? 1.436   10.463  5.709  1.000 10.350 0 93  THR AAA O   1 ? 
ATOM   860  C CB  . THR A 1 95  ? -0.118  11.238  3.231  1.000 10.792 0 93  THR AAA CB  1 ? 
ATOM   861  O OG1 . THR A 1 95  ? -0.102  11.244  1.791  1.000 14.216 0 93  THR AAA OG1 1 ? 
ATOM   862  C CG2 . THR A 1 95  ? -1.101  12.275  3.740  1.000 12.582 0 93  THR AAA CG2 1 ? 
ATOM   863  N N   . ALA A 1 96  ? 1.562   12.711  5.716  1.000 8.679  0 94  ALA AAA N   1 ? 
ATOM   864  C CA  . ALA A 1 96  ? 1.668   12.870  7.185  1.000 8.782  0 94  ALA AAA CA  1 ? 
ATOM   865  C C   . ALA A 1 96  ? 0.276   12.854  7.820  1.000 8.388  0 94  ALA AAA C   1 ? 
ATOM   866  O O   . ALA A 1 96  ? -0.680  13.403  7.255  1.000 8.256  0 94  ALA AAA O   1 ? 
ATOM   867  C CB  . ALA A 1 96  ? 2.403   14.132  7.500  1.000 9.080  0 94  ALA AAA CB  1 ? 
ATOM   868  N N   . PRO A 1 97  ? 0.113   12.267  9.023  1.000 8.398  0 95  PRO AAA N   1 ? 
ATOM   869  C CA  . PRO A 1 97  ? -1.139  12.362  9.776  1.000 8.870  0 95  PRO AAA CA  1 ? 
ATOM   870  C C   . PRO A 1 97  ? -1.443  13.801  10.173 1.000 9.608  0 95  PRO AAA C   1 ? 
ATOM   871  O O   . PRO A 1 97  ? -0.494  14.591  10.221 1.000 9.262  0 95  PRO AAA O   1 ? 
ATOM   872  C CB  . PRO A 1 97  ? -0.908  11.532  11.038 1.000 8.383  0 95  PRO AAA CB  1 ? 
ATOM   873  C CG  . PRO A 1 97  ? 0.266   10.651  10.721 1.000 8.394  0 95  PRO AAA CG  1 ? 
ATOM   874  C CD  . PRO A 1 97  ? 1.093   11.416  9.722  1.000 8.667  0 95  PRO AAA CD  1 ? 
ATOM   875  N N   . GLU A 1 98  ? -2.720  14.090  10.440 1.000 10.871 0 96  GLU AAA N   1 ? 
ATOM   876  C CA  . GLU A 1 98  ? -3.209  15.404  10.916 1.000 11.925 0 96  GLU AAA CA  1 ? 
ATOM   877  C C   . GLU A 1 98  ? -3.596  15.272  12.372 1.000 11.006 0 96  GLU AAA C   1 ? 
ATOM   878  O O   . GLU A 1 98  ? -4.597  14.591  12.670 1.000 11.125 0 96  GLU AAA O   1 ? 
ATOM   879  C CB  . GLU A 1 98  ? -4.441  15.842  10.129 1.000 15.173 0 96  GLU AAA CB  1 ? 
ATOM   880  C CG  . GLU A 1 98  ? -4.176  15.912  8.650  1.000 17.490 0 96  GLU AAA CG  1 ? 
ATOM   881  C CD  . GLU A 1 98  ? -5.391  16.328  7.844  1.000 22.633 0 96  GLU AAA CD  1 ? 
ATOM   882  O OE1 . GLU A 1 98  ? -6.409  15.607  7.880  1.000 29.732 0 96  GLU AAA OE1 1 ? 
ATOM   883  O OE2 . GLU A 1 98  ? -5.307  17.363  7.192  1.000 31.427 0 96  GLU AAA OE2 1 ? 
ATOM   884  N N   . ILE A 1 99  ? -2.782  15.824  13.256 1.000 10.684 0 97  ILE AAA N   1 ? 
ATOM   885  C CA  . ILE A 1 99  ? -3.057  15.821  14.721 1.000 10.389 0 97  ILE AAA CA  1 ? 
ATOM   886  C C   . ILE A 1 99  ? -4.248  16.727  15.021 1.000 10.291 0 97  ILE AAA C   1 ? 
ATOM   887  O O   . ILE A 1 99  ? -4.285  17.861  14.537 1.000 10.834 0 97  ILE AAA O   1 ? 
ATOM   888  C CB  . ILE A 1 99  ? -1.817  16.244  15.516 1.000 11.532 0 97  ILE AAA CB  1 ? 
ATOM   889  C CG1 . ILE A 1 99  ? -0.749  15.147  15.427 1.000 12.968 0 97  ILE AAA CG1 1 ? 
ATOM   890  C CG2 . ILE A 1 99  ? -2.155  16.557  16.968 1.000 11.421 0 97  ILE AAA CG2 1 ? 
ATOM   891  C CD1 . ILE A 1 99  ? 0.500   15.407  16.217 1.000 15.015 0 97  ILE AAA CD1 1 ? 
ATOM   892  N N   . ALA A 1 100 ? -5.149  16.239  15.860 1.000 9.874  0 98  ALA AAA N   1 ? 
ATOM   893  C CA  . ALA A 1 100 ? -6.327  16.953  16.395 1.000 9.494  0 98  ALA AAA CA  1 ? 
ATOM   894  C C   . ALA A 1 100 ? -6.160  17.132  17.907 1.000 9.663  0 98  ALA AAA C   1 ? 
ATOM   895  O O   . ALA A 1 100 ? -5.753  16.191  18.586 1.000 9.776  0 98  ALA AAA O   1 ? 
ATOM   896  C CB  . ALA A 1 100 ? -7.628  16.201  16.100 1.000 10.027 0 98  ALA AAA CB  1 ? 
ATOM   897  N N   . VAL A 1 101 ? -6.490  18.320  18.397 1.000 8.885  0 99  VAL AAA N   1 ? 
ATOM   898  C CA  . VAL A 1 101 ? -6.646  18.628  19.851 1.000 8.778  0 99  VAL AAA CA  1 ? 
ATOM   899  C C   . VAL A 1 101 ? -8.076  19.124  20.013 1.000 9.376  0 99  VAL AAA C   1 ? 
ATOM   900  O O   . VAL A 1 101 ? -8.340  20.326  19.953 1.000 9.358  0 99  VAL AAA O   1 ? 
ATOM   901  C CB  . VAL A 1 101 ? -5.635  19.687  20.287 1.000 8.867  0 99  VAL AAA CB  1 ? 
ATOM   902  C CG1 . VAL A 1 101 ? -5.674  19.880  21.807 1.000 9.470  0 99  VAL AAA CG1 1 ? 
ATOM   903  C CG2 . VAL A 1 101 ? -4.229  19.363  19.769 1.000 9.292  0 99  VAL AAA CG2 1 ? 
ATOM   904  N N   . PRO A 1 102 ? -9.047  18.208  20.106 1.000 10.211 0 100 PRO AAA N   1 ? 
ATOM   905  C CA  . PRO A 1 102 ? -10.454 18.581  19.940 1.000 11.361 0 100 PRO AAA CA  1 ? 
ATOM   906  C C   . PRO A 1 102 ? -10.939 19.696  20.879 1.000 11.507 0 100 PRO AAA C   1 ? 
ATOM   907  O O   . PRO A 1 102 ? -11.785 20.510  20.504 1.000 11.420 0 100 PRO AAA O   1 ? 
ATOM   908  C CB  . PRO A 1 102 ? -11.169 17.264  20.249 1.000 11.534 0 100 PRO AAA CB  1 ? 
ATOM   909  C CG  . PRO A 1 102 ? -10.191 16.223  19.739 1.000 12.009 0 100 PRO AAA CG  1 ? 
ATOM   910  C CD  . PRO A 1 102 ? -8.851  16.753  20.212 1.000 11.230 0 100 PRO AAA CD  1 ? 
ATOM   911  N N   . GLU A 1 103 ? -10.462 19.693  22.113 1.000 12.195 0 101 GLU AAA N   1 ? 
ATOM   912  C CA  . GLU A 1 103 ? -10.939 20.685  23.091 1.000 12.733 0 101 GLU AAA CA  1 ? 
ATOM   913  C C   . GLU A 1 103 ? -10.598 22.099  22.609 1.000 11.728 0 101 GLU AAA C   1 ? 
ATOM   914  O O   . GLU A 1 103 ? -11.295 23.013  23.042 1.000 11.141 0 101 GLU AAA O   1 ? 
ATOM   915  C CB  . GLU A 1 103 ? -10.404 20.357  24.473 1.000 14.767 0 101 GLU AAA CB  1 ? 
ATOM   916  C CG  . GLU A 1 103 ? -8.941  20.679  24.673 1.000 15.007 0 101 GLU AAA CG  1 ? 
ATOM   917  C CD  . GLU A 1 103 ? -8.364  19.914  25.853 1.000 16.556 0 101 GLU AAA CD  1 ? 
ATOM   918  O OE1 . GLU A 1 103 ? -8.167  18.640  25.739 1.000 14.151 0 101 GLU AAA OE1 1 ? 
ATOM   919  O OE2 . GLU A 1 103 ? -8.218  20.573  26.910 1.000 16.834 0 101 GLU AAA OE2 1 ? 
ATOM   920  N N   . LEU A 1 104 ? -9.631  22.299  21.703 1.000 11.465 0 102 LEU AAA N   1 ? 
ATOM   921  C CA  . LEU A 1 104 ? -9.293  23.659  21.227 1.000 10.975 0 102 LEU AAA CA  1 ? 
ATOM   922  C C   . LEU A 1 104 ? -10.012 24.031  19.935 1.000 11.082 0 102 LEU AAA C   1 ? 
ATOM   923  O O   . LEU A 1 104 ? -9.713  25.107  19.446 1.000 12.352 0 102 LEU AAA O   1 ? 
ATOM   924  C CB  . LEU A 1 104 ? -7.783  23.803  21.046 1.000 10.398 0 102 LEU AAA CB  1 ? 
ATOM   925  C CG  . LEU A 1 104 ? -6.978  23.664  22.337 1.000 10.979 0 102 LEU AAA CG  1 ? 
ATOM   926  C CD1 . LEU A 1 104 ? -5.480  23.692  22.061 1.000 10.379 0 102 LEU AAA CD1 1 ? 
ATOM   927  C CD2 . LEU A 1 104 ? -7.376  24.728  23.360 1.000 11.959 0 102 LEU AAA CD2 1 ? 
ATOM   928  N N   . ASP A 1 105 ? -10.940 23.235  19.433 1.000 11.539 0 103 ASP AAA N   1 ? 
ATOM   929  C CA  . ASP A 1 105 ? -11.748 23.536  18.225 1.000 11.441 0 103 ASP AAA CA  1 ? 
ATOM   930  C C   . ASP A 1 105 ? -12.334 24.945  18.387 1.000 10.780 0 103 ASP AAA C   1 ? 
ATOM   931  O O   . ASP A 1 105 ? -12.902 25.208  19.460 1.000 9.793  0 103 ASP AAA O   1 ? 
ATOM   932  C CB  . ASP A 1 105 ? -12.842 22.488  18.041 1.000 11.668 0 103 ASP AAA CB  1 ? 
ATOM   933  C CG  . ASP A 1 105 ? -13.630 22.668  16.757 1.000 12.074 0 103 ASP AAA CG  1 ? 
ATOM   934  O OD1 . ASP A 1 105 ? -13.129 23.375  15.884 1.000 10.889 0 103 ASP AAA OD1 1 ? 
ATOM   935  O OD2 . ASP A 1 105 ? -14.752 22.077  16.662 1.000 14.256 0 103 ASP AAA OD2 1 ? 
ATOM   936  N N   . GLY A 1 106 ? -12.061 25.827  17.424 1.000 11.271 0 104 GLY AAA N   1 ? 
ATOM   937  C CA  . GLY A 1 106 ? -12.576 27.225  17.388 1.000 12.361 0 104 GLY AAA CA  1 ? 
ATOM   938  C C   . GLY A 1 106 ? -11.967 28.139  18.452 1.000 13.596 0 104 GLY AAA C   1 ? 
ATOM   939  O O   . GLY A 1 106 ? -12.526 29.280  18.627 1.000 15.337 0 104 GLY AAA O   1 ? 
ATOM   940  N N   . LYS A 1 107 ? -10.907 27.748  19.183 1.000 12.712 0 105 LYS AAA N   1 ? 
ATOM   941  C CA  . LYS A 1 107 ? -10.445 28.589  20.336 1.000 14.434 0 105 LYS AAA CA  1 ? 
ATOM   942  C C   . LYS A 1 107 ? -9.202  29.401  19.955 1.000 13.994 0 105 LYS AAA C   1 ? 
ATOM   943  O O   . LYS A 1 107 ? -8.771  30.234  20.798 1.000 14.807 0 105 LYS AAA O   1 ? 
ATOM   944  C CB  . LYS A 1 107 ? -10.193 27.779  21.611 1.000 14.592 0 105 LYS AAA CB  1 ? 
ATOM   945  C CG  . LYS A 1 107 ? -11.365 26.958  22.101 1.000 16.109 0 105 LYS AAA CG  1 ? 
ATOM   946  C CD  . LYS A 1 107 ? -11.312 26.591  23.555 1.000 17.395 0 105 LYS AAA CD  1 ? 
ATOM   947  C CE  . LYS A 1 107 ? -12.600 25.903  23.942 1.000 19.766 0 105 LYS AAA CE  1 ? 
ATOM   948  N NZ  . LYS A 1 107 ? -12.534 25.360  25.312 1.000 22.677 0 105 LYS AAA NZ  1 ? 
ATOM   949  N N   . LEU A 1 108 ? -8.662  29.206  18.755 1.000 13.942 0 106 LEU AAA N   1 ? 
ATOM   950  C CA  . LEU A 1 108 ? -7.500  29.971  18.254 1.000 14.439 0 106 LEU AAA CA  1 ? 
ATOM   951  C C   . LEU A 1 108 ? -7.455  29.906  16.724 1.000 14.519 0 106 LEU AAA C   1 ? 
ATOM   952  O O   . LEU A 1 108 ? -8.140  29.064  16.116 1.000 14.447 0 106 LEU AAA O   1 ? 
ATOM   953  C CB  . LEU A 1 108 ? -6.210  29.437  18.902 1.000 15.183 0 106 LEU AAA CB  1 ? 
ATOM   954  C CG  . LEU A 1 108 ? -5.772  28.022  18.485 1.000 16.584 0 106 LEU AAA CG  1 ? 
ATOM   955  C CD1 . LEU A 1 108 ? -4.270  27.843  18.704 1.000 16.174 0 106 LEU AAA CD1 1 ? 
ATOM   956  C CD2 . LEU A 1 108 ? -6.480  26.963  19.292 1.000 16.146 0 106 LEU AAA CD2 1 ? 
ATOM   957  N N   . ALA A 1 109 ? -6.672  30.784  16.124 1.000 15.391 0 107 ALA AAA N   1 ? 
ATOM   958  C CA  . ALA A 1 109 ? -6.591  30.945  14.661 1.000 16.745 0 107 ALA AAA CA  1 ? 
ATOM   959  C C   . ALA A 1 109 ? -5.909  29.726  14.025 1.000 17.417 0 107 ALA AAA C   1 ? 
ATOM   960  O O   . ALA A 1 109 ? -6.434  29.271  12.994 1.000 16.747 0 107 ALA AAA O   1 ? 
ATOM   961  C CB  . ALA A 1 109 ? -5.885  32.219  14.299 1.000 17.989 0 107 ALA AAA CB  1 ? 
ATOM   962  N N   . LYS A 1 110 ? -4.809  29.212  14.609 1.000 16.676 0 108 LYS AAA N   1 ? 
ATOM   963  C CA  . LYS A 1 110 ? -3.937  28.189  13.940 1.000 18.009 0 108 LYS AAA CA  1 ? 
ATOM   964  C C   . LYS A 1 110 ? -4.510  26.791  14.200 1.000 15.992 0 108 LYS AAA C   1 ? 
ATOM   965  O O   . LYS A 1 110 ? -3.793  25.897  14.684 1.000 13.469 0 108 LYS AAA O   1 ? 
ATOM   966  C CB  . LYS A 1 110 ? -2.479  28.303  14.390 1.000 19.619 0 108 LYS AAA CB  1 ? 
ATOM   967  C CG  . LYS A 1 110 ? -1.743  29.539  13.879 1.000 21.356 0 108 LYS AAA CG  1 ? 
ATOM   968  C CD  . LYS A 1 110 ? -1.598  29.586  12.387 1.000 23.444 0 108 LYS AAA CD  1 ? 
ATOM   969  C CE  . LYS A 1 110 ? -0.987  30.885  11.896 1.000 25.089 0 108 LYS AAA CE  1 ? 
ATOM   970  N NZ  . LYS A 1 110 ? 0.462   30.901  12.178 1.000 27.926 0 108 LYS AAA NZ  1 ? 
ATOM   971  N N   . MET A 1 111 ? -5.791  26.644  13.899 1.000 15.940 0 109 MET AAA N   1 ? 
ATOM   972  C CA  . MET A 1 111 ? -6.600  25.425  14.105 1.000 17.510 0 109 MET AAA CA  1 ? 
ATOM   973  C C   . MET A 1 111 ? -7.606  25.389  12.961 1.000 18.912 0 109 MET AAA C   1 ? 
ATOM   974  O O   . MET A 1 111 ? -8.231  26.465  12.668 1.000 17.421 0 109 MET AAA O   1 ? 
ATOM   975  C CB  . MET A 1 111 ? -7.339  25.444  15.452 1.000 20.151 0 109 MET AAA CB  1 ? 
ATOM   976  C CG  . MET A 1 111 ? -8.148  24.142  15.718 1.000 23.302 0 109 MET AAA CG  1 ? 
ATOM   977  S SD  . MET A 1 111 ? -7.877  23.349  17.341 1.000 26.135 0 109 MET AAA SD  1 ? 
ATOM   978  C CE  . MET A 1 111 ? -6.088  23.426  17.308 1.000 25.868 0 109 MET AAA CE  1 ? 
ATOM   979  N N   . TYR A 1 112 ? -7.785  24.233  12.330 1.000 16.236 0 110 TYR AAA N   1 ? 
ATOM   980  C CA  . TYR A 1 112 ? -8.867  24.042  11.346 1.000 19.575 0 110 TYR AAA CA  1 ? 
ATOM   981  C C   . TYR A 1 112 ? -10.161 23.760  12.100 1.000 20.365 0 110 TYR AAA C   1 ? 
ATOM   982  O O   . TYR A 1 112 ? -10.116 23.244  13.226 1.000 20.789 0 110 TYR AAA O   1 ? 
ATOM   983  C CB  . TYR A 1 112 ? -8.572  22.876  10.406 1.000 20.325 0 110 TYR AAA CB  1 ? 
ATOM   984  C CG  . TYR A 1 112 ? -7.305  22.980  9.613  1.000 20.053 0 110 TYR AAA CG  1 ? 
ATOM   985  C CD1 . TYR A 1 112 ? -7.235  23.759  8.466  1.000 23.034 0 110 TYR AAA CD1 1 ? 
ATOM   986  C CD2 . TYR A 1 112 ? -6.193  22.234  9.965  1.000 21.356 0 110 TYR AAA CD2 1 ? 
ATOM   987  C CE1 . TYR A 1 112 ? -6.077  23.811  7.700  1.000 23.832 0 110 TYR AAA CE1 1 ? 
ATOM   988  C CE2 . TYR A 1 112 ? -5.031  22.280  9.217  1.000 21.266 0 110 TYR AAA CE2 1 ? 
ATOM   989  C CZ  . TYR A 1 112 ? -4.977  23.056  8.072  1.000 25.462 0 110 TYR AAA CZ  1 ? 
ATOM   990  O OH  . TYR A 1 112 ? -3.820  23.096  7.339  1.000 25.710 0 110 TYR AAA OH  1 ? 
ATOM   991  N N   . ARG A 1 113 ? -11.280 24.107  11.475 1.000 22.144 0 111 ARG AAA N   1 ? 
ATOM   992  C CA  . ARG A 1 113 ? -12.643 23.659  11.835 1.000 24.510 0 111 ARG AAA CA  1 ? 
ATOM   993  C C   . ARG A 1 113 ? -12.602 22.159  12.155 1.000 23.526 0 111 ARG AAA C   1 ? 
ATOM   994  O O   . ARG A 1 113 ? -12.121 21.385  11.319 1.000 22.558 0 111 ARG AAA O   1 ? 
ATOM   995  C CB  . ARG A 1 113 ? -13.547 23.966  10.638 1.000 28.466 0 111 ARG AAA CB  1 ? 
ATOM   996  C CG  . ARG A 1 113 ? -15.042 23.880  10.875 1.000 35.448 0 111 ARG AAA CG  1 ? 
ATOM   997  C CD  . ARG A 1 113 ? -15.779 24.183  9.568  1.000 38.876 0 111 ARG AAA CD  1 ? 
ATOM   998  N NE  . ARG A 1 113 ? -16.070 25.613  9.425  1.000 40.048 0 111 ARG AAA NE  1 ? 
ATOM   999  C CZ  . ARG A 1 113 ? -15.324 26.514  8.781  1.000 44.371 0 111 ARG AAA CZ  1 ? 
ATOM   1000 N NH1 . ARG A 1 113 ? -14.203 26.166  8.165  1.000 44.262 0 111 ARG AAA NH1 1 ? 
ATOM   1001 N NH2 . ARG A 1 113 ? -15.724 27.777  8.742  1.000 43.053 0 111 ARG AAA NH2 1 ? 
ATOM   1002 N N   . GLY A 1 114 ? -13.018 21.759  13.350 1.000 20.924 0 112 GLY AAA N   1 ? 
ATOM   1003 C CA  . GLY A 1 114 ? -13.054 20.332  13.726 1.000 20.116 0 112 GLY AAA CA  1 ? 
ATOM   1004 C C   . GLY A 1 114 ? -11.933 19.918  14.662 1.000 19.901 0 112 GLY AAA C   1 ? 
ATOM   1005 O O   . GLY A 1 114 ? -11.997 18.798  15.143 1.000 22.124 0 112 GLY AAA O   1 ? 
ATOM   1006 N N   . GLY A 1 115 ? -10.954 20.788  14.944 1.000 16.689 0 113 GLY AAA N   1 ? 
ATOM   1007 C CA  . GLY A 1 115 ? -9.922  20.521  15.956 1.000 15.969 0 113 GLY AAA CA  1 ? 
ATOM   1008 C C   . GLY A 1 115 ? -8.565  20.110  15.407 1.000 14.161 0 113 GLY AAA C   1 ? 
ATOM   1009 O O   . GLY A 1 115 ? -7.678  19.900  16.245 1.000 13.853 0 113 GLY AAA O   1 ? 
ATOM   1010 N N   . LYS A 1 116 ? -8.344  19.993  14.096 1.000 15.039 0 114 LYS AAA N   1 ? 
ATOM   1011 C CA  . LYS A 1 116 ? -6.978  19.674  13.592 1.000 14.761 0 114 LYS AAA CA  1 ? 
ATOM   1012 C C   . LYS A 1 116 ? -6.091  20.913  13.736 1.000 14.427 0 114 LYS AAA C   1 ? 
ATOM   1013 O O   . LYS A 1 116 ? -6.515  22.001  13.331 1.000 14.405 0 114 LYS AAA O   1 ? 
ATOM   1014 C CB  . LYS A 1 116 ? -7.037  19.103  12.176 1.000 16.416 0 114 LYS AAA CB  1 ? 
ATOM   1015 C CG  . LYS A 1 116 ? -7.457  17.642  12.131 1.000 17.095 0 114 LYS AAA CG  1 ? 
ATOM   1016 C CD  . LYS A 1 116 ? -7.764  17.198  10.744 1.000 19.443 0 114 LYS AAA CD  1 ? 
ATOM   1017 C CE  . LYS A 1 116 ? -8.235  15.759  10.642 1.000 20.905 0 114 LYS AAA CE  1 ? 
ATOM   1018 N NZ  . LYS A 1 116 ? -8.286  15.352  9.213  1.000 23.579 0 114 LYS AAA NZ  1 ? 
ATOM   1019 N N   . ILE A 1 117 ? -4.900  20.738  14.309 1.000 13.043 0 115 ILE AAA N   1 ? 
ATOM   1020 C CA  . ILE A 1 117 ? -3.882  21.811  14.413 1.000 12.393 0 115 ILE AAA CA  1 ? 
ATOM   1021 C C   . ILE A 1 117 ? -3.438  22.251  13.009 1.000 13.407 0 115 ILE AAA C   1 ? 
ATOM   1022 O O   . ILE A 1 117 ? -3.382  21.433  12.079 1.000 12.328 0 115 ILE AAA O   1 ? 
ATOM   1023 C CB  . ILE A 1 117 ? -2.701  21.400  15.307 1.000 12.772 0 115 ILE AAA CB  1 ? 
ATOM   1024 C CG1 . ILE A 1 117 ? -1.803  20.329  14.678 1.000 12.397 0 115 ILE AAA CG1 1 ? 
ATOM   1025 C CG2 . ILE A 1 117 ? -3.185  20.965  16.675 1.000 12.365 0 115 ILE AAA CG2 1 ? 
ATOM   1026 C CD1 . ILE A 1 117 ? -0.648  19.913  15.577 1.000 13.247 0 115 ILE AAA CD1 1 ? 
ATOM   1027 N N   . CYS A 1 118 ? -3.204  23.538  12.869 1.000 13.843 0 116 CYS AAA N   1 ? 
ATOM   1028 C CA  . CYS A 1 118 ? -2.757  24.163  11.609 1.000 14.722 0 116 CYS AAA CA  1 ? 
ATOM   1029 C C   . CYS A 1 118 ? -1.270  24.410  11.739 1.000 14.634 0 116 CYS AAA C   1 ? 
ATOM   1030 O O   . CYS A 1 118 ? -0.875  25.281  12.557 1.000 14.835 0 116 CYS AAA O   1 ? 
ATOM   1031 C CB  . CYS A 1 118 ? -3.530  25.440  11.310 1.000 16.032 0 116 CYS AAA CB  1 ? 
ATOM   1032 S SG  . CYS A 1 118 ? -3.333  25.878  9.565  1.000 18.134 0 116 CYS AAA SG  1 ? 
ATOM   1033 N N   . LEU A 1 119 ? -0.472  23.688  10.954 1.000 15.892 0 117 LEU AAA N   1 ? 
ATOM   1034 C CA  . LEU A 1 119 ? 1.003   23.786  11.066 1.000 16.825 0 117 LEU AAA CA  1 ? 
ATOM   1035 C C   . LEU A 1 119 ? 1.550   24.839  10.099 1.000 20.863 0 117 LEU AAA C   1 ? 
ATOM   1036 O O   . LEU A 1 119 ? 0.825   25.142  9.144  1.000 19.570 0 117 LEU AAA O   1 ? 
ATOM   1037 C CB  . LEU A 1 119 ? 1.561   22.404  10.745 1.000 16.356 0 117 LEU AAA CB  1 ? 
ATOM   1038 C CG  . LEU A 1 119 ? 1.256   21.322  11.780 1.000 16.787 0 117 LEU AAA CG  1 ? 
ATOM   1039 C CD1 . LEU A 1 119 ? 2.096   20.081  11.484 1.000 15.776 0 117 LEU AAA CD1 1 ? 
ATOM   1040 C CD2 . LEU A 1 119 ? 1.544   21.821  13.184 1.000 16.726 0 117 LEU AAA CD2 1 ? 
ATOM   1041 N N   . THR A 1 120 ? 2.808   25.300  10.307 1.000 24.218 0 118 THR AAA N   1 ? 
ATOM   1042 C CA  . THR A 1 120 ? 3.512   26.203  9.344  1.000 24.774 0 118 THR AAA CA  1 ? 
ATOM   1043 C C   . THR A 1 120 ? 3.644   25.427  8.051  1.000 30.626 0 118 THR AAA C   1 ? 
ATOM   1044 O O   . THR A 1 120 ? 3.528   24.197  8.112  1.000 30.447 0 118 THR AAA O   1 ? 
ATOM   1045 C CB  . THR A 1 120 ? 4.901   26.731  9.750  1.000 25.614 0 118 THR AAA CB  1 ? 
ATOM   1046 O OG1 . THR A 1 120 ? 5.942   25.763  9.877  1.000 23.487 0 118 THR AAA OG1 1 ? 
ATOM   1047 C CG2 . THR A 1 120 ? 4.863   27.515  11.044 1.000 27.310 0 118 THR AAA CG2 1 ? 
ATOM   1048 N N   . ASP A 1 121 ? 3.881   26.147  6.964  1.000 32.783 0 119 ASP AAA N   1 ? 
ATOM   1049 C CA  . ASP A 1 121 ? 4.141   25.581  5.623  1.000 34.555 0 119 ASP AAA CA  1 ? 
ATOM   1050 C C   . ASP A 1 121 ? 5.463   24.819  5.606  1.000 32.601 0 119 ASP AAA C   1 ? 
ATOM   1051 O O   . ASP A 1 121 ? 5.712   24.218  4.540  1.000 29.653 0 119 ASP AAA O   1 ? 
ATOM   1052 C CB  . ASP A 1 121 ? 4.160   26.668  4.546  1.000 38.802 0 119 ASP AAA CB  1 ? 
ATOM   1053 C CG  . ASP A 1 121 ? 2.776   26.940  3.986  1.000 40.895 0 119 ASP AAA CG  1 ? 
ATOM   1054 O OD1 . ASP A 1 121 ? 1.819   26.301  4.460  1.000 40.300 0 119 ASP AAA OD1 1 ? 
ATOM   1055 O OD2 . ASP A 1 121 ? 2.675   27.759  3.058  1.000 42.881 0 119 ASP AAA OD2 1 ? 
ATOM   1056 N N   . HIS A 1 122 ? 6.224   24.800  6.714  1.000 29.682 0 120 HIS AAA N   1 ? 
ATOM   1057 C CA  . HIS A 1 122 ? 7.561   24.145  6.792  1.000 25.782 0 120 HIS AAA CA  1 ? 
ATOM   1058 C C   . HIS A 1 122 ? 7.450   22.648  7.137  1.000 19.741 0 120 HIS AAA C   1 ? 
ATOM   1059 O O   . HIS A 1 122 ? 8.260   21.886  6.574  1.000 16.149 0 120 HIS AAA O   1 ? 
ATOM   1060 C CB  . HIS A 1 122 ? 8.439   24.903  7.794  1.000 34.958 0 120 HIS AAA CB  1 ? 
ATOM   1061 C CG  . HIS A 1 122 ? 9.730   24.253  8.211  1.000 42.673 0 120 HIS AAA CG  1 ? 
ATOM   1062 N ND1 . HIS A 1 122 ? 10.677  23.805  7.289  1.000 49.029 0 120 HIS AAA ND1 1 ? 
ATOM   1063 C CD2 . HIS A 1 122 ? 10.279  24.049  9.444  1.000 45.688 0 120 HIS AAA CD2 1 ? 
ATOM   1064 C CE1 . HIS A 1 122 ? 11.747  23.351  7.935  1.000 48.879 0 120 HIS AAA CE1 1 ? 
ATOM   1065 N NE2 . HIS A 1 122 ? 11.540  23.507  9.270  1.000 39.069 0 120 HIS AAA NE2 1 ? 
ATOM   1066 N N   . PHE A 1 123 ? 6.525   22.245  8.029  1.000 16.955 0 121 PHE AAA N   1 ? 
ATOM   1067 C CA  . PHE A 1 123 ? 6.394   20.852  8.525  1.000 14.273 0 121 PHE AAA CA  1 ? 
ATOM   1068 C C   . PHE A 1 123 ? 6.160   19.899  7.346  1.000 12.850 0 121 PHE AAA C   1 ? 
ATOM   1069 O O   . PHE A 1 123 ? 6.876   18.886  7.248  1.000 11.448 0 121 PHE AAA O   1 ? 
ATOM   1070 C CB  . PHE A 1 123 ? 5.262   20.658  9.546  1.000 14.015 0 121 PHE AAA CB  1 ? 
ATOM   1071 C CG  . PHE A 1 123 ? 5.129   19.218  9.952  1.000 13.833 0 121 PHE AAA CG  1 ? 
ATOM   1072 C CD1 . PHE A 1 123 ? 6.052   18.624  10.795 1.000 14.220 0 121 PHE AAA CD1 1 ? 
ATOM   1073 C CD2 . PHE A 1 123 ? 4.183   18.400  9.344  1.000 15.783 0 121 PHE AAA CD2 1 ? 
ATOM   1074 C CE1 . PHE A 1 123 ? 5.992   17.274  11.085 1.000 15.346 0 121 PHE AAA CE1 1 ? 
ATOM   1075 C CE2 . PHE A 1 123 ? 4.109   17.050  9.652  1.000 15.837 0 121 PHE AAA CE2 1 ? 
ATOM   1076 C CZ  . PHE A 1 123 ? 5.024   16.486  10.514 1.000 15.751 0 121 PHE AAA CZ  1 ? 
ATOM   1077 N N   . LYS A 1 124 ? 5.181   20.201  6.505  1.000 12.238 0 122 LYS AAA N   1 ? 
ATOM   1078 C CA  . LYS A 1 124 ? 4.758   19.268  5.416  1.000 13.554 0 122 LYS AAA CA  1 ? 
ATOM   1079 C C   . LYS A 1 124 ? 5.932   19.000  4.467  1.000 13.200 0 122 LYS AAA C   1 ? 
ATOM   1080 O O   . LYS A 1 124 ? 6.242   17.839  4.196  1.000 11.369 0 122 LYS AAA O   1 ? 
ATOM   1081 C CB  . LYS A 1 124 ? 3.474   19.762  4.757  1.000 14.815 0 122 LYS AAA CB  1 ? 
ATOM   1082 C CG  . LYS A 1 124 ? 2.225   19.376  5.526  1.000 17.500 0 122 LYS AAA CG  1 ? 
ATOM   1083 C CD  . LYS A 1 124 ? 0.963   19.811  4.820  1.000 20.405 0 122 LYS AAA CD  1 ? 
ATOM   1084 C CE  . LYS A 1 124 ? -0.282  19.398  5.561  1.000 24.436 0 122 LYS AAA CE  1 ? 
ATOM   1085 N NZ  . LYS A 1 124 ? -1.469  19.732  4.741  1.000 26.876 0 122 LYS AAA NZ  1 ? 
ATOM   1086 N N   . PRO A 1 125 ? 6.630   20.009  3.910  1.000 13.257 0 123 PRO AAA N   1 ? 
ATOM   1087 C CA  . PRO A 1 125 ? 7.747   19.711  3.016  1.000 13.612 0 123 PRO AAA CA  1 ? 
ATOM   1088 C C   . PRO A 1 125 ? 8.935   19.082  3.764  1.000 11.245 0 123 PRO AAA C   1 ? 
ATOM   1089 O O   . PRO A 1 125 ? 9.668   18.346  3.143  1.000 10.814 0 123 PRO AAA O   1 ? 
ATOM   1090 C CB  . PRO A 1 125 ? 8.135   21.036  2.367  1.000 15.632 0 123 PRO AAA CB  1 ? 
ATOM   1091 C CG  . PRO A 1 125 ? 6.977   21.961  2.711  1.000 17.483 0 123 PRO AAA CG  1 ? 
ATOM   1092 C CD  . PRO A 1 125 ? 6.365   21.452  4.011  1.000 15.848 0 123 PRO AAA CD  1 ? 
ATOM   1093 N N   . LEU A 1 126 ? 9.099   19.368  5.059  1.000 10.760 0 124 LEU AAA N   1 ? 
ATOM   1094 C CA  . LEU A 1 126 ? 10.145  18.685  5.850  1.000 10.227 0 124 LEU AAA CA  1 ? 
ATOM   1095 C C   . LEU A 1 126 ? 9.818   17.188  5.906  1.000 8.601  0 124 LEU AAA C   1 ? 
ATOM   1096 O O   . LEU A 1 126 ? 10.704  16.322  5.639  1.000 8.299  0 124 LEU AAA O   1 ? 
ATOM   1097 C CB  . LEU A 1 126 ? 10.216  19.357  7.225  1.000 11.473 0 124 LEU AAA CB  1 ? 
ATOM   1098 C CG  . LEU A 1 126 ? 11.212  18.787  8.234  1.000 11.729 0 124 LEU AAA CG  1 ? 
ATOM   1099 C CD1 . LEU A 1 126 ? 12.598  18.647  7.651  1.000 12.856 0 124 LEU AAA CD1 1 ? 
ATOM   1100 C CD2 . LEU A 1 126 ? 11.233  19.647  9.483  1.000 12.054 0 124 LEU AAA CD2 1 ? 
ATOM   1101 N N   . TRP A 1 127 ? 8.582   16.868  6.241  1.000 7.275  0 125 TRP AAA N   1 ? 
ATOM   1102 C CA  . TRP A 1 127 ? 8.134   15.457  6.231  1.000 7.614  0 125 TRP AAA CA  1 ? 
ATOM   1103 C C   . TRP A 1 127 ? 8.389   14.851  4.839  1.000 7.504  0 125 TRP AAA C   1 ? 
ATOM   1104 O O   . TRP A 1 127 ? 8.978   13.746  4.748  1.000 6.580  0 125 TRP AAA O   1 ? 
ATOM   1105 C CB  . TRP A 1 127 ? 6.675   15.383  6.646  1.000 7.159  0 125 TRP AAA CB  1 ? 
ATOM   1106 C CG  . TRP A 1 127 ? 6.132   13.991  6.672  1.000 7.001  0 125 TRP AAA CG  1 ? 
ATOM   1107 C CD1 . TRP A 1 127 ? 5.639   13.269  5.630  1.000 7.053  0 125 TRP AAA CD1 1 ? 
ATOM   1108 C CD2 . TRP A 1 127 ? 5.988   13.160  7.834  1.000 7.110  0 125 TRP AAA CD2 1 ? 
ATOM   1109 N NE1 . TRP A 1 127 ? 5.233   12.023  6.050  1.000 7.210  0 125 TRP AAA NE1 1 ? 
ATOM   1110 C CE2 . TRP A 1 127 ? 5.424   11.939  7.406  1.000 6.744  0 125 TRP AAA CE2 1 ? 
ATOM   1111 C CE3 . TRP A 1 127 ? 6.252   13.345  9.194  1.000 7.098  0 125 TRP AAA CE3 1 ? 
ATOM   1112 C CZ2 . TRP A 1 127 ? 5.146   10.900  8.289  1.000 7.005  0 125 TRP AAA CZ2 1 ? 
ATOM   1113 C CZ3 . TRP A 1 127 ? 5.949   12.323  10.060 1.000 7.369  0 125 TRP AAA CZ3 1 ? 
ATOM   1114 C CH2 . TRP A 1 127 ? 5.457   11.105  9.607  1.000 6.965  0 125 TRP AAA CH2 1 ? 
ATOM   1115 N N   . ALA A 1 128 ? 7.959   15.535  3.788  1.000 8.066  0 126 ALA AAA N   1 ? 
ATOM   1116 C CA  . ALA A 1 128 ? 8.037   14.993  2.404  1.000 9.045  0 126 ALA AAA CA  1 ? 
ATOM   1117 C C   . ALA A 1 128 ? 9.473   14.674  2.039  1.000 10.027 0 126 ALA AAA C   1 ? 
ATOM   1118 O O   . ALA A 1 128 ? 9.712   13.580  1.487  1.000 10.366 0 126 ALA AAA O   1 ? 
ATOM   1119 C CB  . ALA A 1 128 ? 7.419   15.955  1.441  1.000 9.312  0 126 ALA AAA CB  1 ? 
ATOM   1120 N N   . ARG A 1 129 ? 10.416  15.536  2.406  1.000 11.843 0 127 ARG AAA N   1 ? 
ATOM   1121 C CA  . ARG A 1 129 ? 11.838  15.399  2.011  1.000 13.387 0 127 ARG AAA CA  1 ? 
ATOM   1122 C C   . ARG A 1 129 ? 12.469  14.212  2.738  1.000 11.519 0 127 ARG AAA C   1 ? 
ATOM   1123 O O   . ARG A 1 129 ? 13.550  13.825  2.313  1.000 11.310 0 127 ARG AAA O   1 ? 
ATOM   1124 C CB  . ARG A 1 129 ? 12.656  16.640  2.381  1.000 18.989 0 127 ARG AAA CB  1 ? 
ATOM   1125 C CG  . ARG A 1 129 ? 12.396  17.881  1.550  1.000 25.107 0 127 ARG AAA CG  1 ? 
ATOM   1126 C CD  . ARG A 1 129 ? 13.448  18.947  1.850  1.000 28.821 0 127 ARG AAA CD  1 ? 
ATOM   1127 N NE  . ARG A 1 129 ? 13.590  19.373  3.255  1.000 32.306 0 127 ARG AAA NE  1 ? 
ATOM   1128 C CZ  . ARG A 1 129 ? 12.994  20.451  3.815  1.000 33.930 0 127 ARG AAA CZ  1 ? 
ATOM   1129 N NH1 . ARG A 1 129 ? 12.171  21.220  3.116  1.000 34.081 0 127 ARG AAA NH1 1 ? 
ATOM   1130 N NH2 . ARG A 1 129 ? 13.226  20.764  5.084  1.000 35.000 0 127 ARG AAA NH2 1 ? 
ATOM   1131 N N   . ASN A 1 130 ? 11.839  13.681  3.798  1.000 8.976  0 128 ASN AAA N   1 ? 
ATOM   1132 C CA  . ASN A 1 130 ? 12.457  12.632  4.659  1.000 9.169  0 128 ASN AAA CA  1 ? 
ATOM   1133 C C   . ASN A 1 130 ? 11.724  11.297  4.522  1.000 9.179  0 128 ASN AAA C   1 ? 
ATOM   1134 O O   . ASN A 1 130 ? 12.219  10.325  5.124  1.000 9.535  0 128 ASN AAA O   1 ? 
ATOM   1135 C CB  . ASN A 1 130 ? 12.510  13.094  6.115  1.000 8.794  0 128 ASN AAA CB  1 ? 
ATOM   1136 C CG  . ASN A 1 130 ? 13.667  14.050  6.323  1.000 9.659  0 128 ASN AAA CG  1 ? 
ATOM   1137 O OD1 . ASN A 1 130 ? 14.818  13.619  6.351  1.000 10.089 0 128 ASN AAA OD1 1 ? 
ATOM   1138 N ND2 . ASN A 1 130 ? 13.401  15.339  6.409  1.000 9.482  0 128 ASN AAA ND2 1 ? 
ATOM   1139 N N   . VAL A 1 131 ? 10.673  11.229  3.703  1.000 8.671  0 129 VAL AAA N   1 ? 
ATOM   1140 C CA  . VAL A 1 131 ? 9.908   9.967   3.497  1.000 8.559  0 129 VAL AAA CA  1 ? 
ATOM   1141 C C   . VAL A 1 131 ? 10.884  8.859   3.111  1.000 9.409  0 129 VAL AAA C   1 ? 
ATOM   1142 O O   . VAL A 1 131 ? 11.768  9.070   2.250  1.000 9.678  0 129 VAL AAA O   1 ? 
ATOM   1143 C CB  . VAL A 1 131 ? 8.767   10.128  2.478  1.000 8.499  0 129 VAL AAA CB  1 ? 
ATOM   1144 C CG1 . VAL A 1 131 ? 8.219   8.793   2.024  1.000 9.120  0 129 VAL AAA CG1 1 ? 
ATOM   1145 C CG2 . VAL A 1 131 ? 7.648   10.988  3.077  1.000 8.349  0 129 VAL AAA CG2 1 ? 
ATOM   1146 N N   . PRO A 1 132 ? 10.740  7.626   3.657  1.000 8.933  0 130 PRO AAA N   1 ? 
ATOM   1147 C CA  . PRO A 1 132 ? 9.757   7.235   4.681  1.000 8.265  0 130 PRO AAA CA  1 ? 
ATOM   1148 C C   . PRO A 1 132 ? 10.382  7.154   6.088  1.000 8.228  0 130 PRO AAA C   1 ? 
ATOM   1149 O O   . PRO A 1 132 ? 9.890   6.436   6.936  1.000 7.474  0 130 PRO AAA O   1 ? 
ATOM   1150 C CB  . PRO A 1 132 ? 9.407   5.828   4.204  1.000 8.976  0 130 PRO AAA CB  1 ? 
ATOM   1151 C CG  . PRO A 1 132 ? 10.746  5.267   3.784  1.000 9.366  0 130 PRO AAA CG  1 ? 
ATOM   1152 C CD  . PRO A 1 132 ? 11.516  6.453   3.242  1.000 9.875  0 130 PRO AAA CD  1 ? 
ATOM   1153 N N   . LYS A 1 133 ? 11.428  7.940   6.318  1.000 8.060  0 131 LYS AAA N   1 ? 
ATOM   1154 C CA  . LYS A 1 133 ? 12.291  7.792   7.508  1.000 8.163  0 131 LYS AAA CA  1 ? 
ATOM   1155 C C   . LYS A 1 133 ? 11.592  8.346   8.755  1.000 7.301  0 131 LYS AAA C   1 ? 
ATOM   1156 O O   . LYS A 1 133 ? 11.954  7.915   9.817  1.000 7.164  0 131 LYS AAA O   1 ? 
ATOM   1157 C CB  . LYS A 1 133 ? 13.602  8.537   7.277  1.000 10.025 0 131 LYS AAA CB  1 ? 
ATOM   1158 C CG  . LYS A 1 133 ? 14.486  7.902   6.216  1.000 12.654 0 131 LYS AAA CG  1 ? 
ATOM   1159 C CD  . LYS A 1 133 ? 15.735  8.715   5.988  1.000 15.787 0 131 LYS AAA CD  1 ? 
ATOM   1160 C CE  . LYS A 1 133 ? 15.563  9.766   4.913  1.000 20.914 0 131 LYS AAA CE  1 ? 
ATOM   1161 N NZ  . LYS A 1 133 ? 16.907  10.289  4.538  1.000 24.303 0 131 LYS AAA NZ  1 ? 
ATOM   1162 N N   . PHE A 1 134 ? 10.724  9.349   8.616  1.000 6.789  0 132 PHE AAA N   1 ? 
ATOM   1163 C CA  . PHE A 1 134 ? 10.006  9.961   9.767  1.000 6.581  0 132 PHE AAA CA  1 ? 
ATOM   1164 C C   . PHE A 1 134 ? 8.727   9.160   10.027 1.000 6.266  0 132 PHE AAA C   1 ? 
ATOM   1165 O O   . PHE A 1 134 ? 8.093   8.701   9.086  1.000 6.258  0 132 PHE AAA O   1 ? 
ATOM   1166 C CB  . PHE A 1 134 ? 9.670   11.433  9.507  1.000 7.095  0 132 PHE AAA CB  1 ? 
ATOM   1167 C CG  . PHE A 1 134 ? 10.842  12.395  9.560  1.000 8.094  0 132 PHE AAA CG  1 ? 
ATOM   1168 C CD1 . PHE A 1 134 ? 12.142  11.962  9.707  1.000 8.605  0 132 PHE AAA CD1 1 ? 
ATOM   1169 C CD2 . PHE A 1 134 ? 10.618  13.763  9.409  1.000 9.210  0 132 PHE AAA CD2 1 ? 
ATOM   1170 C CE1 . PHE A 1 134 ? 13.210  12.863  9.731  1.000 9.256  0 132 PHE AAA CE1 1 ? 
ATOM   1171 C CE2 . PHE A 1 134 ? 11.676  14.667  9.448  1.000 8.810  0 132 PHE AAA CE2 1 ? 
ATOM   1172 C CZ  . PHE A 1 134 ? 12.964  14.213  9.606  1.000 8.801  0 132 PHE AAA CZ  1 ? 
ATOM   1173 N N   . GLY A 1 135 ? 8.359   9.038   11.306 1.000 5.969  0 133 GLY AAA N   1 ? 
ATOM   1174 C CA  . GLY A 1 135 ? 7.112   8.401   11.749 1.000 6.192  0 133 GLY AAA CA  1 ? 
ATOM   1175 C C   . GLY A 1 135 ? 6.426   9.234   12.805 1.000 6.055  0 133 GLY AAA C   1 ? 
ATOM   1176 O O   . GLY A 1 135 ? 6.649   10.456  12.870 1.000 6.220  0 133 GLY AAA O   1 ? 
ATOM   1177 N N   . LEU A 1 136 ? 5.646   8.585   13.668 1.000 6.095  0 134 LEU AAA N   1 ? 
ATOM   1178 C CA  . LEU A 1 136 ? 4.796   9.295   14.638 1.000 5.963  0 134 LEU AAA CA  1 ? 
ATOM   1179 C C   . LEU A 1 136 ? 5.661   10.015  15.683 1.000 5.560  0 134 LEU AAA C   1 ? 
ATOM   1180 O O   . LEU A 1 136 ? 5.238   11.072  16.110 1.000 5.528  0 134 LEU AAA O   1 ? 
ATOM   1181 C CB  . LEU A 1 136 ? 3.884   8.260   15.281 1.000 6.456  0 134 LEU AAA CB  1 ? 
ATOM   1182 C CG  . LEU A 1 136 ? 2.937   7.581   14.294 1.000 6.967  0 134 LEU AAA CG  1 ? 
ATOM   1183 C CD1 . LEU A 1 136 ? 1.963   6.670   15.053 1.000 7.135  0 134 LEU AAA CD1 1 ? 
ATOM   1184 C CD2 . LEU A 1 136 ? 2.188   8.599   13.432 1.000 7.318  0 134 LEU AAA CD2 1 ? 
ATOM   1185 N N   . ALA A 1 137 ? 6.838   9.502   16.050 1.000 5.435  0 135 ALA AAA N   1 ? 
ATOM   1186 C CA  . ALA A 1 137 ? 7.728   10.201  17.016 1.000 5.446  0 135 ALA AAA CA  1 ? 
ATOM   1187 C C   . ALA A 1 137 ? 8.132   11.543  16.429 1.000 5.184  0 135 ALA AAA C   1 ? 
ATOM   1188 O O   . ALA A 1 137 ? 8.147   12.561  17.120 1.000 4.888  0 135 ALA AAA O   1 ? 
ATOM   1189 C CB  . ALA A 1 137 ? 8.956   9.367   17.336 1.000 5.142  0 135 ALA AAA CB  1 ? 
ATOM   1190 N N   . HIS A 1 138 ? 8.464   11.548  15.140 1.000 5.315  0 136 HIS AAA N   1 ? 
ATOM   1191 C CA  . HIS A 1 138 ? 8.839   12.789  14.404 1.000 5.276  0 136 HIS AAA CA  1 ? 
ATOM   1192 C C   . HIS A 1 138 ? 7.639   13.722  14.244 1.000 5.734  0 136 HIS AAA C   1 ? 
ATOM   1193 O O   . HIS A 1 138 ? 7.793   14.939  14.349 1.000 5.784  0 136 HIS AAA O   1 ? 
ATOM   1194 C CB  . HIS A 1 138 ? 9.406   12.421  13.019 1.000 5.265  0 136 HIS AAA CB  1 ? 
ATOM   1195 C CG  . HIS A 1 138 ? 10.597  11.530  13.085 1.000 5.514  0 136 HIS AAA CG  1 ? 
ATOM   1196 N ND1 . HIS A 1 138 ? 10.479  10.164  13.161 1.000 5.419  0 136 HIS AAA ND1 1 ? 
ATOM   1197 C CD2 . HIS A 1 138 ? 11.909  11.797  13.175 1.000 5.678  0 136 HIS AAA CD2 1 ? 
ATOM   1198 C CE1 . HIS A 1 138 ? 11.657  9.621   13.267 1.000 5.901  0 136 HIS AAA CE1 1 ? 
ATOM   1199 N NE2 . HIS A 1 138 ? 12.572  10.599  13.225 1.000 6.166  0 136 HIS AAA NE2 1 ? 
ATOM   1200 N N   . LEU A 1 139 ? 6.446   13.175  13.981 1.000 6.108  0 137 LEU AAA N   1 ? 
ATOM   1201 C CA  . LEU A 1 139 ? 5.223   13.998  13.932 1.000 6.334  0 137 LEU AAA CA  1 ? 
ATOM   1202 C C   . LEU A 1 139 ? 5.069   14.766  15.244 1.000 6.436  0 137 LEU AAA C   1 ? 
ATOM   1203 O O   . LEU A 1 139 ? 4.760   15.954  15.219 1.000 6.558  0 137 LEU AAA O   1 ? 
ATOM   1204 C CB  . LEU A 1 139 ? 4.050   13.050  13.675 1.000 7.056  0 137 LEU AAA CB  1 ? 
ATOM   1205 C CG  . LEU A 1 139 ? 2.674   13.698  13.737 1.000 7.693  0 137 LEU AAA CG  1 ? 
ATOM   1206 C CD1 . LEU A 1 139 ? 2.425   14.661  12.595 1.000 8.186  0 137 LEU AAA CD1 1 ? 
ATOM   1207 C CD2 . LEU A 1 139 ? 1.630   12.628  13.746 1.000 8.273  0 137 LEU AAA CD2 1 ? 
ATOM   1208 N N   . MET A 1 140 ? 5.296   14.102  16.374 1.000 6.146  0 138 MET AAA N   1 ? 
ATOM   1209 C CA  . MET A 1 140 ? 5.152   14.776  17.684 1.000 6.340  0 138 MET AAA CA  1 ? 
ATOM   1210 C C   . MET A 1 140 ? 6.275   15.804  17.850 1.000 6.353  0 138 MET AAA C   1 ? 
ATOM   1211 O O   . MET A 1 140 ? 5.983   16.958  18.232 1.000 6.644  0 138 MET AAA O   1 ? 
ATOM   1212 C CB  . MET A 1 140 ? 5.189   13.723  18.792 1.000 6.440  0 138 MET AAA CB  1 ? 
ATOM   1213 C CG  . MET A 1 140 ? 4.018   12.768  18.732 1.000 6.508  0 138 MET AAA CG  1 ? 
ATOM   1214 S SD  . MET A 1 140 ? 2.415   13.526  19.097 1.000 7.088  0 138 MET AAA SD  1 ? 
ATOM   1215 C CE  . MET A 1 140 ? 2.334   13.483  20.879 1.000 7.233  0 138 MET AAA CE  1 ? 
ATOM   1216 N N   . ALA A 1 141 ? 7.523   15.401  17.610 1.000 6.350  0 139 ALA AAA N   1 ? 
ATOM   1217 C CA  . ALA A 1 141 ? 8.723   16.227  17.865 1.000 6.619  0 139 ALA AAA CA  1 ? 
ATOM   1218 C C   . ALA A 1 141 ? 8.736   17.479  16.979 1.000 7.177  0 139 ALA AAA C   1 ? 
ATOM   1219 O O   . ALA A 1 141 ? 9.179   18.559  17.474 1.000 7.598  0 139 ALA AAA O   1 ? 
ATOM   1220 C CB  . ALA A 1 141 ? 9.966   15.396  17.661 1.000 6.677  0 139 ALA AAA CB  1 ? 
ATOM   1221 N N   . LEU A 1 142 ? 8.380   17.341  15.710 1.000 7.317  0 140 LEU AAA N   1 ? 
ATOM   1222 C CA  . LEU A 1 142 ? 8.536   18.402  14.681 1.000 7.647  0 140 LEU AAA CA  1 ? 
ATOM   1223 C C   . LEU A 1 142 ? 7.193   19.065  14.364 1.000 8.115  0 140 LEU AAA C   1 ? 
ATOM   1224 O O   . LEU A 1 142 ? 7.187   20.155  13.768 1.000 8.650  0 140 LEU AAA O   1 ? 
ATOM   1225 C CB  . LEU A 1 142 ? 9.142   17.785  13.422 1.000 7.786  0 140 LEU AAA CB  1 ? 
ATOM   1226 C CG  . LEU A 1 142 ? 10.560  17.264  13.507 1.000 8.052  0 140 LEU AAA CG  1 ? 
ATOM   1227 C CD1 . LEU A 1 142 ? 10.942  16.577  12.189 1.000 8.575  0 140 LEU AAA CD1 1 ? 
ATOM   1228 C CD2 . LEU A 1 142 ? 11.529  18.384  13.805 1.000 8.297  0 140 LEU AAA CD2 1 ? 
ATOM   1229 N N   . GLY A 1 143 ? 6.080   18.404  14.645 1.000 8.463  0 141 GLY AAA N   1 ? 
ATOM   1230 C CA  . GLY A 1 143 ? 4.735   18.924  14.331 1.000 9.111  0 141 GLY AAA CA  1 ? 
ATOM   1231 C C   . GLY A 1 143 ? 4.063   19.522  15.541 1.000 9.683  0 141 GLY AAA C   1 ? 
ATOM   1232 O O   . GLY A 1 143 ? 3.989   20.757  15.653 1.000 10.997 0 141 GLY AAA O   1 ? 
ATOM   1233 N N   . LEU A 1 144 ? 3.610   18.684  16.464 1.000 8.631  0 142 LEU AAA N   1 ? 
ATOM   1234 C CA  . LEU A 1 144 ? 2.824   19.165  17.611 1.000 8.398  0 142 LEU AAA CA  1 ? 
ATOM   1235 C C   . LEU A 1 144 ? 3.707   19.960  18.565 1.000 8.605  0 142 LEU AAA C   1 ? 
ATOM   1236 O O   . LEU A 1 144 ? 3.191   20.959  19.139 1.000 8.857  0 142 LEU AAA O   1 ? 
ATOM   1237 C CB  . LEU A 1 144 ? 2.169   17.985  18.312 1.000 8.237  0 142 LEU AAA CB  1 ? 
ATOM   1238 C CG  . LEU A 1 144 ? 1.395   18.298  19.591 1.000 8.227  0 142 LEU AAA CG  1 ? 
ATOM   1239 C CD1 . LEU A 1 144 ? 0.254   19.294  19.368 1.000 7.797  0 142 LEU AAA CD1 1 ? 
ATOM   1240 C CD2 . LEU A 1 144 ? 0.854   17.006  20.177 1.000 8.194  0 142 LEU AAA CD2 1 ? 
ATOM   1241 N N   . GLY A 1 145 ? 4.952   19.522  18.798 1.000 9.084  0 143 GLY AAA N   1 ? 
ATOM   1242 C CA  . GLY A 1 145 ? 5.853   20.150  19.791 1.000 9.437  0 143 GLY AAA CA  1 ? 
ATOM   1243 C C   . GLY A 1 145 ? 6.026   21.644  19.531 1.000 10.286 0 143 GLY AAA C   1 ? 
ATOM   1244 O O   . GLY A 1 145 ? 5.782   22.440  20.439 1.000 10.005 0 143 GLY AAA O   1 ? 
ATOM   1245 N N   . PRO A 1 146 ? 6.457   22.050  18.316 1.000 10.416 0 144 PRO AAA N   1 ? 
ATOM   1246 C CA  . PRO A 1 146 ? 6.644   23.461  17.969 1.000 10.764 0 144 PRO AAA CA  1 ? 
ATOM   1247 C C   . PRO A 1 146 ? 5.338   24.249  17.963 1.000 10.331 0 144 PRO AAA C   1 ? 
ATOM   1248 O O   . PRO A 1 146 ? 5.347   25.423  18.311 1.000 10.361 0 144 PRO AAA O   1 ? 
ATOM   1249 C CB  . PRO A 1 146 ? 7.240   23.416  16.554 1.000 11.484 0 144 PRO AAA CB  1 ? 
ATOM   1250 C CG  . PRO A 1 146 ? 7.912   22.066  16.554 1.000 12.105 0 144 PRO AAA CG  1 ? 
ATOM   1251 C CD  . PRO A 1 146 ? 6.902   21.168  17.227 1.000 11.172 0 144 PRO AAA CD  1 ? 
ATOM   1252 N N   . TRP A 1 147 ? 4.235   23.585  17.592 1.000 9.693  0 145 TRP AAA N   1 ? 
ATOM   1253 C CA  . TRP A 1 147 ? 2.900   24.213  17.619 1.000 9.371  0 145 TRP AAA CA  1 ? 
ATOM   1254 C C   . TRP A 1 147 ? 2.561   24.580  19.058 1.000 8.826  0 145 TRP AAA C   1 ? 
ATOM   1255 O O   . TRP A 1 147 ? 2.118   25.711  19.287 1.000 8.703  0 145 TRP AAA O   1 ? 
ATOM   1256 C CB  . TRP A 1 147 ? 1.850   23.302  17.007 1.000 9.377  0 145 TRP AAA CB  1 ? 
ATOM   1257 C CG  . TRP A 1 147 ? 0.486   23.914  16.849 1.000 9.454  0 145 TRP AAA CG  1 ? 
ATOM   1258 C CD1 . TRP A 1 147 ? -0.001  24.585  15.761 1.000 10.095 0 145 TRP AAA CD1 1 ? 
ATOM   1259 C CD2 . TRP A 1 147 ? -0.602  23.834  17.780 1.000 9.632  0 145 TRP AAA CD2 1 ? 
ATOM   1260 N NE1 . TRP A 1 147 ? -1.311  24.945  15.971 1.000 9.115  0 145 TRP AAA NE1 1 ? 
ATOM   1261 C CE2 . TRP A 1 147 ? -1.720  24.471  17.181 1.000 9.665  0 145 TRP AAA CE2 1 ? 
ATOM   1262 C CE3 . TRP A 1 147 ? -0.768  23.232  19.037 1.000 10.515 0 145 TRP AAA CE3 1 ? 
ATOM   1263 C CZ2 . TRP A 1 147 ? -2.949  24.576  17.813 1.000 10.165 0 145 TRP AAA CZ2 1 ? 
ATOM   1264 C CZ3 . TRP A 1 147 ? -1.985  23.364  19.682 1.000 10.640 0 145 TRP AAA CZ3 1 ? 
ATOM   1265 C CH2 . TRP A 1 147 ? -3.068  24.013  19.064 1.000 10.410 0 145 TRP AAA CH2 1 ? 
ATOM   1266 N N   . LEU A 1 148 ? 2.726   23.671  20.001 1.000 8.153  0 146 LEU AAA N   1 ? 
ATOM   1267 C CA  . LEU A 1 148 ? 2.370   24.012  21.406 1.000 8.426  0 146 LEU AAA CA  1 ? 
ATOM   1268 C C   . LEU A 1 148 ? 3.260   25.166  21.882 1.000 8.337  0 146 LEU AAA C   1 ? 
ATOM   1269 O O   . LEU A 1 148 ? 2.756   26.014  22.627 1.000 8.288  0 146 LEU AAA O   1 ? 
ATOM   1270 C CB  . LEU A 1 148 ? 2.545   22.818  22.337 1.000 8.014  0 146 LEU AAA CB  1 ? 
ATOM   1271 C CG  . LEU A 1 148 ? 1.686   21.583  22.084 1.000 8.338  0 146 LEU AAA CG  1 ? 
ATOM   1272 C CD1 . LEU A 1 148 ? 2.262   20.394  22.851 1.000 8.667  0 146 LEU AAA CD1 1 ? 
ATOM   1273 C CD2 . LEU A 1 148 ? 0.245   21.838  22.482 1.000 8.855  0 146 LEU AAA CD2 1 ? 
ATOM   1274 N N   . ALA A 1 149 ? 4.559   25.175  21.539 1.000 8.201  0 147 ALA AAA N   1 ? 
ATOM   1275 C CA  . ALA A 1 149 ? 5.504   26.180  22.077 1.000 8.347  0 147 ALA AAA CA  1 ? 
ATOM   1276 C C   . ALA A 1 149 ? 5.184   27.606  21.586 1.000 8.895  0 147 ALA AAA C   1 ? 
ATOM   1277 O O   . ALA A 1 149 ? 5.697   28.544  22.170 1.000 8.133  0 147 ALA AAA O   1 ? 
ATOM   1278 C CB  . ALA A 1 149 ? 6.915   25.789  21.770 1.000 8.310  0 147 ALA AAA CB  1 ? 
ATOM   1279 N N   . VAL A 1 150 ? 4.388   27.763  20.534 1.000 9.454  0 148 VAL AAA N   1 ? 
ATOM   1280 C CA  . VAL A 1 150 ? 3.880   29.091  20.087 1.000 10.317 0 148 VAL AAA CA  1 ? 
ATOM   1281 C C   . VAL A 1 150 ? 2.469   29.287  20.635 1.000 10.791 0 148 VAL AAA C   1 ? 
ATOM   1282 O O   . VAL A 1 150 ? 2.177   30.346  21.232 1.000 13.082 0 148 VAL AAA O   1 ? 
ATOM   1283 C CB  . VAL A 1 150 ? 3.930   29.206  18.555 1.000 9.603  0 148 VAL AAA CB  1 ? 
ATOM   1284 C CG1 . VAL A 1 150 ? 3.255   30.463  18.066 1.000 9.660  0 148 VAL AAA CG1 1 ? 
ATOM   1285 C CG2 . VAL A 1 150 ? 5.365   29.143  18.036 1.000 9.915  0 148 VAL AAA CG2 1 ? 
ATOM   1286 N N   . GLU A 1 151 ? 1.589   28.311  20.465 1.000 10.651 0 149 GLU AAA N   1 ? 
ATOM   1287 C CA  . GLU A 1 151 ? 0.144   28.586  20.665 1.000 11.029 0 149 GLU AAA CA  1 ? 
ATOM   1288 C C   . GLU A 1 151 ? -0.263  28.530  22.139 1.000 11.957 0 149 GLU AAA C   1 ? 
ATOM   1289 O O   . GLU A 1 151 ? -1.171  29.297  22.518 1.000 13.129 0 149 GLU AAA O   1 ? 
ATOM   1290 C CB  . GLU A 1 151 ? -0.701  27.616  19.867 1.000 10.822 0 149 GLU AAA CB  1 ? 
ATOM   1291 C CG  . GLU A 1 151 ? -0.479  27.686  18.370 1.000 10.619 0 149 GLU AAA CG  1 ? 
ATOM   1292 C CD  . GLU A 1 151 ? -0.528  29.089  17.776 1.000 11.792 0 149 GLU AAA CD  1 ? 
ATOM   1293 O OE1 . GLU A 1 151 ? -1.331  29.922  18.280 1.000 14.361 0 149 GLU AAA OE1 1 ? 
ATOM   1294 O OE2 . GLU A 1 151 ? 0.227   29.344  16.829 1.000 13.091 0 149 GLU AAA OE2 1 ? 
ATOM   1295 N N   . ILE A 1 152 ? 0.257   27.616  22.948 1.000 12.197 0 150 ILE AAA N   1 ? 
ATOM   1296 C CA  . ILE A 1 152 ? -0.255  27.467  24.340 1.000 12.648 0 150 ILE AAA CA  1 ? 
ATOM   1297 C C   . ILE A 1 152 ? 0.086   28.723  25.149 1.000 13.347 0 150 ILE AAA C   1 ? 
ATOM   1298 O O   . ILE A 1 152 ? -0.772  29.244  25.864 1.000 13.858 0 150 ILE AAA O   1 ? 
ATOM   1299 C CB  . ILE A 1 152 ? 0.209   26.159  25.015 1.000 12.876 0 150 ILE AAA CB  1 ? 
ATOM   1300 C CG1 . ILE A 1 152 ? -0.123  24.918  24.184 1.000 13.623 0 150 ILE AAA CG1 1 ? 
ATOM   1301 C CG2 . ILE A 1 152 ? -0.401  26.082  26.388 1.000 12.992 0 150 ILE AAA CG2 1 ? 
ATOM   1302 C CD1 . ILE A 1 152 ? -1.592  24.783  23.855 1.000 13.788 0 150 ILE AAA CD1 1 ? 
ATOM   1303 N N   . PRO A 1 153 ? 1.309   29.281  25.055 1.000 14.544 0 151 PRO AAA N   1 ? 
ATOM   1304 C CA  . PRO A 1 153 ? 1.623   30.540  25.727 1.000 14.972 0 151 PRO AAA CA  1 ? 
ATOM   1305 C C   . PRO A 1 153 ? 0.605   31.634  25.391 1.000 16.395 0 151 PRO AAA C   1 ? 
ATOM   1306 O O   . PRO A 1 153 ? 0.172   32.311  26.291 1.000 15.786 0 151 PRO AAA O   1 ? 
ATOM   1307 C CB  . PRO A 1 153 ? 3.035   30.836  25.227 1.000 14.348 0 151 PRO AAA CB  1 ? 
ATOM   1308 C CG  . PRO A 1 153 ? 3.623   29.454  25.027 1.000 14.978 0 151 PRO AAA CG  1 ? 
ATOM   1309 C CD  . PRO A 1 153 ? 2.482   28.711  24.375 1.000 15.776 0 151 PRO AAA CD  1 ? 
ATOM   1310 N N   . ASP A 1 154 ? 0.195   31.728  24.126 1.000 17.251 0 152 ASP AAA N   1 ? 
ATOM   1311 C CA  . ASP A 1 154 ? -0.777  32.757  23.678 1.000 18.278 0 152 ASP AAA CA  1 ? 
ATOM   1312 C C   . ASP A 1 154 ? -2.147  32.477  24.332 1.000 18.757 0 152 ASP AAA C   1 ? 
ATOM   1313 O O   . ASP A 1 154 ? -2.734  33.405  24.866 1.000 17.859 0 152 ASP AAA O   1 ? 
ATOM   1314 C CB  . ASP A 1 154 ? -0.779  32.807  22.153 1.000 19.504 0 152 ASP AAA CB  1 ? 
ATOM   1315 C CG  . ASP A 1 154 ? -1.469  34.026  21.588 1.000 22.470 0 152 ASP AAA CG  1 ? 
ATOM   1316 O OD1 . ASP A 1 154 ? -1.241  35.125  22.124 1.000 25.119 0 152 ASP AAA OD1 1 ? 
ATOM   1317 O OD2 . ASP A 1 154 ? -2.248  33.860  20.636 1.000 26.030 0 152 ASP AAA OD2 1 ? 
ATOM   1318 N N   . LEU A 1 155 ? -2.599  31.219  24.410 1.000 18.592 0 153 LEU AAA N   1 ? 
ATOM   1319 C CA  . LEU A 1 155 ? -3.905  30.872  25.030 1.000 18.604 0 153 LEU AAA CA  1 ? 
ATOM   1320 C C   . LEU A 1 155 ? -3.888  31.246  26.505 1.000 19.869 0 153 LEU AAA C   1 ? 
ATOM   1321 O O   . LEU A 1 155 ? -4.941  31.710  27.017 1.000 20.615 0 153 LEU AAA O   1 ? 
ATOM   1322 C CB  . LEU A 1 155 ? -4.218  29.383  24.848 1.000 18.967 0 153 LEU AAA CB  1 ? 
ATOM   1323 C CG  . LEU A 1 155 ? -4.430  28.944  23.399 1.000 22.059 0 153 LEU AAA CG  1 ? 
ATOM   1324 C CD1 . LEU A 1 155 ? -4.666  27.441  23.305 1.000 23.623 0 153 LEU AAA CD1 1 ? 
ATOM   1325 C CD2 . LEU A 1 155 ? -5.591  29.694  22.767 1.000 25.343 0 153 LEU AAA CD2 1 ? 
ATOM   1326 N N   . ILE A 1 156 ? -2.768  31.040  27.197 1.000 17.733 0 154 ILE AAA N   1 ? 
ATOM   1327 C CA  . ILE A 1 156 ? -2.671  31.362  28.645 1.000 19.844 0 154 ILE AAA CA  1 ? 
ATOM   1328 C C   . ILE A 1 156 ? -2.757  32.884  28.829 1.000 21.361 0 154 ILE AAA C   1 ? 
ATOM   1329 O O   . ILE A 1 156 ? -3.473  33.306  29.717 1.000 22.786 0 154 ILE AAA O   1 ? 
ATOM   1330 C CB  . ILE A 1 156 ? -1.386  30.788  29.247 1.000 19.230 0 154 ILE AAA CB  1 ? 
ATOM   1331 C CG1 . ILE A 1 156 ? -1.375  29.248  29.214 1.000 18.020 0 154 ILE AAA CG1 1 ? 
ATOM   1332 C CG2 . ILE A 1 156 ? -1.152  31.353  30.647 1.000 18.785 0 154 ILE AAA CG2 1 ? 
ATOM   1333 C CD1 . ILE A 1 156 ? -0.011  28.641  29.379 1.000 17.975 0 154 ILE AAA CD1 1 ? 
ATOM   1334 N N   A GLN A 1 157 ? -2.035  33.665  28.025 0.500 23.374 0 155 GLN AAA N   1 ? 
ATOM   1335 N N   B GLN A 1 157 ? -2.028  33.653  28.010 0.500 22.968 0 155 GLN AAA N   1 ? 
ATOM   1336 C CA  A GLN A 1 157 ? -1.947  35.145  28.184 0.500 25.846 0 155 GLN AAA CA  1 ? 
ATOM   1337 C CA  B GLN A 1 157 ? -1.898  35.141  28.100 0.500 25.166 0 155 GLN AAA CA  1 ? 
ATOM   1338 C C   A GLN A 1 157 ? -3.299  35.786  27.855 0.500 26.684 0 155 GLN AAA C   1 ? 
ATOM   1339 C C   B GLN A 1 157 ? -3.261  35.789  27.823 0.500 26.289 0 155 GLN AAA C   1 ? 
ATOM   1340 O O   A GLN A 1 157 ? -3.635  36.808  28.480 0.500 26.895 0 155 GLN AAA O   1 ? 
ATOM   1341 O O   B GLN A 1 157 ? -3.583  36.792  28.481 0.500 26.613 0 155 GLN AAA O   1 ? 
ATOM   1342 C CB  A GLN A 1 157 ? -0.900  35.732  27.246 0.500 28.763 0 155 GLN AAA CB  1 ? 
ATOM   1343 C CB  B GLN A 1 157 ? -0.823  35.626  27.120 0.500 27.650 0 155 GLN AAA CB  1 ? 
ATOM   1344 C CG  A GLN A 1 157 ? -1.419  35.835  25.823 0.500 32.668 0 155 GLN AAA CG  1 ? 
ATOM   1345 C CG  B GLN A 1 157 ? -0.792  37.137  26.880 0.500 31.014 0 155 GLN AAA CG  1 ? 
ATOM   1346 C CD  A GLN A 1 157 ? -1.021  37.100  25.114 0.500 36.495 0 155 GLN AAA CD  1 ? 
ATOM   1347 C CD  B GLN A 1 157 ? -0.843  37.456  25.401 0.500 36.043 0 155 GLN AAA CD  1 ? 
ATOM   1348 O OE1 . GLN A 1 157 ? 0.099   37.208  24.632 1.000 43.930 0 155 GLN AAA OE1 1 ? 
ATOM   1349 N NE2 . GLN A 1 157 ? -1.956  38.028  24.978 1.000 36.570 0 155 GLN AAA NE2 1 ? 
ATOM   1350 N N   . LYS A 1 158 ? -4.026  35.226  26.882 1.000 27.434 0 156 LYS AAA N   1 ? 
ATOM   1351 C CA  . LYS A 1 158 ? -5.366  35.719  26.460 1.000 27.942 0 156 LYS AAA CA  1 ? 
ATOM   1352 C C   . LYS A 1 158 ? -6.434  35.130  27.388 1.000 28.106 0 156 LYS AAA C   1 ? 
ATOM   1353 O O   . LYS A 1 158 ? -7.599  35.447  27.205 1.000 32.975 0 156 LYS AAA O   1 ? 
ATOM   1354 C CB  . LYS A 1 158 ? -5.632  35.344  24.999 1.000 28.944 0 156 LYS AAA CB  1 ? 
ATOM   1355 C CG  . LYS A 1 158 ? -4.765  36.104  24.013 1.000 33.556 0 156 LYS AAA CG  1 ? 
ATOM   1356 C CD  . LYS A 1 158 ? -5.022  35.858  22.553 1.000 37.235 0 156 LYS AAA CD  1 ? 
ATOM   1357 C CE  . LYS A 1 158 ? -4.242  36.864  21.731 1.000 39.124 0 156 LYS AAA CE  1 ? 
ATOM   1358 N NZ  . LYS A 1 158 ? -4.437  36.664  20.279 1.000 46.245 0 156 LYS AAA NZ  1 ? 
ATOM   1359 N N   . GLY A 1 159 ? -6.058  34.292  28.344 1.000 27.405 0 157 GLY AAA N   1 ? 
ATOM   1360 C CA  . GLY A 1 159 ? -7.006  33.730  29.323 1.000 30.383 0 157 GLY AAA CA  1 ? 
ATOM   1361 C C   . GLY A 1 159 ? -7.969  32.740  28.693 1.000 33.499 0 157 GLY AAA C   1 ? 
ATOM   1362 O O   . GLY A 1 159 ? -8.926  32.344  29.392 1.000 41.869 0 157 GLY AAA O   1 ? 
ATOM   1363 N N   . VAL A 1 160 ? -7.746  32.338  27.435 1.000 30.533 0 158 VAL AAA N   1 ? 
ATOM   1364 C CA  . VAL A 1 160 ? -8.590  31.332  26.714 1.000 31.153 0 158 VAL AAA CA  1 ? 
ATOM   1365 C C   . VAL A 1 160 ? -8.601  30.019  27.509 1.000 32.483 0 158 VAL AAA C   1 ? 
ATOM   1366 O O   . VAL A 1 160 ? -9.687  29.446  27.690 1.000 32.264 0 158 VAL AAA O   1 ? 
ATOM   1367 C CB  . VAL A 1 160 ? -8.107  31.087  25.277 1.000 29.959 0 158 VAL AAA CB  1 ? 
ATOM   1368 C CG1 . VAL A 1 160 ? -8.847  29.933  24.611 1.000 31.676 0 158 VAL AAA CG1 1 ? 
ATOM   1369 C CG2 . VAL A 1 160 ? -8.217  32.350  24.441 1.000 30.231 0 158 VAL AAA CG2 1 ? 
ATOM   1370 N N   . ILE A 1 161 ? -7.446  29.552  27.980 1.000 31.303 0 159 ILE AAA N   1 ? 
ATOM   1371 C CA  . ILE A 1 161 ? -7.382  28.357  28.874 1.000 31.636 0 159 ILE AAA CA  1 ? 
ATOM   1372 C C   . ILE A 1 161 ? -6.952  28.823  30.256 1.000 32.789 0 159 ILE AAA C   1 ? 
ATOM   1373 O O   . ILE A 1 161 ? -6.272  29.857  30.377 1.000 34.838 0 159 ILE AAA O   1 ? 
ATOM   1374 C CB  . ILE A 1 161 ? -6.445  27.267  28.334 1.000 32.388 0 159 ILE AAA CB  1 ? 
ATOM   1375 C CG1 . ILE A 1 161 ? -4.977  27.601  28.595 1.000 30.930 0 159 ILE AAA CG1 1 ? 
ATOM   1376 C CG2 . ILE A 1 161 ? -6.719  27.024  26.860 1.000 35.449 0 159 ILE AAA CG2 1 ? 
ATOM   1377 C CD1 . ILE A 1 161 ? -4.012  26.684  27.914 1.000 31.594 0 159 ILE AAA CD1 1 ? 
ATOM   1378 N N   . HIS A 1 162 ? -7.327  28.052  31.262 1.000 37.936 0 160 HIS AAA N   1 ? 
ATOM   1379 C CA  . HIS A 1 162 ? -7.017  28.339  32.678 1.000 40.579 0 160 HIS AAA CA  1 ? 
ATOM   1380 C C   . HIS A 1 162 ? -6.535  27.041  33.310 1.000 38.644 0 160 HIS AAA C   1 ? 
ATOM   1381 O O   . HIS A 1 162 ? -6.972  25.962  32.856 1.000 40.341 0 160 HIS AAA O   1 ? 
ATOM   1382 C CB  . HIS A 1 162 ? -8.223  28.985  33.381 1.000 47.199 0 160 HIS AAA CB  1 ? 
ATOM   1383 C CG  . HIS A 1 162 ? -7.864  30.301  33.987 1.000 56.802 0 160 HIS AAA CG  1 ? 
ATOM   1384 N ND1 . HIS A 1 162 ? -6.904  30.407  34.984 1.000 61.188 0 160 HIS AAA ND1 1 ? 
ATOM   1385 C CD2 . HIS A 1 162 ? -8.256  31.564  33.691 1.000 59.321 0 160 HIS AAA CD2 1 ? 
ATOM   1386 C CE1 . HIS A 1 162 ? -6.754  31.678  35.310 1.000 62.226 0 160 HIS AAA CE1 1 ? 
ATOM   1387 N NE2 . HIS A 1 162 ? -7.566  32.409  34.522 1.000 61.169 0 160 HIS AAA NE2 1 ? 
ATOM   1388 N N   . HIS A 1 163 ? -5.626  27.139  34.272 1.000 35.655 0 161 HIS AAA N   1 ? 
ATOM   1389 C CA  . HIS A 1 163 ? -5.078  25.950  34.963 1.000 35.946 0 161 HIS AAA CA  1 ? 
ATOM   1390 C C   . HIS A 1 163 ? -5.854  25.767  36.276 1.000 39.489 0 161 HIS AAA C   1 ? 
ATOM   1391 O O   . HIS A 1 163 ? -6.136  26.793  36.931 1.000 35.515 0 161 HIS AAA O   1 ? 
ATOM   1392 C CB  . HIS A 1 163 ? -3.565  26.101  35.135 1.000 31.957 0 161 HIS AAA CB  1 ? 
ATOM   1393 C CG  . HIS A 1 163 ? -2.961  24.997  35.920 1.000 28.253 0 161 HIS AAA CG  1 ? 
ATOM   1394 N ND1 . HIS A 1 163 ? -2.342  23.910  35.335 1.000 29.679 0 161 HIS AAA ND1 1 ? 
ATOM   1395 C CD2 . HIS A 1 163 ? -2.896  24.798  37.246 1.000 28.262 0 161 HIS AAA CD2 1 ? 
ATOM   1396 C CE1 . HIS A 1 163 ? -1.921  23.084  36.281 1.000 27.771 0 161 HIS AAA CE1 1 ? 
ATOM   1397 N NE2 . HIS A 1 163 ? -2.258  23.607  37.467 1.000 31.014 0 161 HIS AAA NE2 1 ? 
ATOM   1398 N N   . LYS A 1 164 ? -6.225  24.525  36.618 1.000 43.350 0 162 LYS AAA N   1 ? 
ATOM   1399 C CA  . LYS A 1 164 ? -6.762  24.148  37.964 1.000 44.329 0 162 LYS AAA CA  1 ? 
ATOM   1400 C C   . LYS A 1 164 ? -6.003  22.911  38.466 1.000 44.413 0 162 LYS AAA C   1 ? 
ATOM   1401 O O   . LYS A 1 164 ? -5.896  21.948  37.685 1.000 49.591 0 162 LYS AAA O   1 ? 
ATOM   1402 C CB  . LYS A 1 164 ? -8.275  23.922  37.896 1.000 45.642 0 162 LYS AAA CB  1 ? 
ATOM   1403 N N   . GLU A 1 165 ? -5.433  22.958  39.683 1.000 44.403 0 163 GLU AAA N   1 ? 
ATOM   1404 C CA  . GLU A 1 165 ? -4.594  21.861  40.259 1.000 44.558 0 163 GLU AAA CA  1 ? 
ATOM   1405 C C   . GLU A 1 165 ? -5.527  20.765  40.787 1.000 43.499 0 163 GLU AAA C   1 ? 
ATOM   1406 O O   . GLU A 1 165 ? -6.455  21.108  41.515 1.000 45.968 0 163 GLU AAA O   1 ? 
ATOM   1407 C CB  . GLU A 1 165 ? -3.643  22.381  41.351 1.000 43.248 0 163 GLU AAA CB  1 ? 
ATOM   1408 C CG  . GLU A 1 165 ? -2.884  21.296  42.113 1.000 41.624 0 163 GLU AAA CG  1 ? 
ATOM   1409 C CD  . GLU A 1 165 ? -2.108  20.297  41.259 1.000 42.508 0 163 GLU AAA CD  1 ? 
ATOM   1410 O OE1 . GLU A 1 165 ? -1.045  20.649  40.702 1.000 37.002 0 163 GLU AAA OE1 1 ? 
ATOM   1411 O OE2 . GLU A 1 165 ? -2.586  19.157  41.127 1.000 44.509 0 163 GLU AAA OE2 1 ? 
ATOM   1412 N N   . LYS A 1 166 ? -5.266  19.505  40.429 1.000 43.757 0 164 LYS AAA N   1 ? 
ATOM   1413 C CA  . LYS A 1 166 ? -6.091  18.328  40.811 1.000 46.804 0 164 LYS AAA CA  1 ? 
ATOM   1414 C C   . LYS A 1 166 ? -5.828  17.913  42.280 1.000 45.463 0 164 LYS AAA C   1 ? 
ATOM   1415 O O   . LYS A 1 166 ? -6.763  17.346  42.911 1.000 45.520 0 164 LYS AAA O   1 ? 
ATOM   1416 C CB  . LYS A 1 166 ? -5.795  17.193  39.821 1.000 45.835 0 164 LYS AAA CB  1 ? 
ATOM   1417 N N   . CYS A 1 167 ? -4.623  18.179  42.821 1.000 37.315 0 165 CYS AAA N   1 ? 
ATOM   1418 C CA  . CYS A 1 167 ? -4.085  17.598  44.094 1.000 36.408 0 165 CYS AAA CA  1 ? 
ATOM   1419 C C   . CYS A 1 167 ? -4.367  16.086  44.195 1.000 41.092 0 165 CYS AAA C   1 ? 
ATOM   1420 O O   . CYS A 1 167 ? -4.555  15.333  43.228 1.000 52.222 0 165 CYS AAA O   1 ? 
ATOM   1421 C CB  . CYS A 1 167 ? -4.653  18.268  45.344 1.000 30.003 0 165 CYS AAA CB  1 ? 
ATOM   1422 S SG  . CYS A 1 167 ? -4.347  20.051  45.449 1.000 24.106 0 165 CYS AAA SG  1 ? 
HETATM 1423 O O   . HOH B 2 .   ? -2.792  39.527  23.516 1.000 35.956 0 201 HOH AAA O   1 ? 
HETATM 1424 O O   . HOH B 2 .   ? -8.740  -5.891  14.008 1.000 22.787 0 202 HOH AAA O   1 ? 
HETATM 1425 O O   . HOH B 2 .   ? 19.458  9.383   23.419 1.000 35.377 0 203 HOH AAA O   1 ? 
HETATM 1426 O O   . HOH B 2 .   ? -3.866  19.334  7.461  1.000 36.428 0 204 HOH AAA O   1 ? 
HETATM 1427 O O   . HOH B 2 .   ? 9.910   19.058  19.781 1.000 20.779 0 205 HOH AAA O   1 ? 
HETATM 1428 O O   . HOH B 2 .   ? -8.754  9.960   15.230 1.000 24.081 0 206 HOH AAA O   1 ? 
HETATM 1429 O O   . HOH B 2 .   ? -8.537  17.753  23.428 1.000 17.225 0 207 HOH AAA O   1 ? 
HETATM 1430 O O   . HOH B 2 .   ? -3.402  -4.103  6.415  1.000 18.732 0 208 HOH AAA O   1 ? 
HETATM 1431 O O   . HOH B 2 .   ? 22.571  12.550  18.288 1.000 30.207 0 209 HOH AAA O   1 ? 
HETATM 1432 O O   . HOH B 2 .   ? 12.288  2.626   14.334 1.000 14.078 0 210 HOH AAA O   1 ? 
HETATM 1433 O O   . HOH B 2 .   ? -9.156  13.403  21.624 1.000 21.671 0 211 HOH AAA O   1 ? 
HETATM 1434 O O   . HOH B 2 .   ? -10.201 19.760  11.654 1.000 26.232 0 212 HOH AAA O   1 ? 
HETATM 1435 O O   . HOH B 2 .   ? 1.949   28.101  15.435 1.000 16.035 0 213 HOH AAA O   1 ? 
HETATM 1436 O O   . HOH B 2 .   ? 11.509  16.689  21.375 1.000 10.948 0 214 HOH AAA O   1 ? 
HETATM 1437 O O   . HOH B 2 .   ? -15.038 24.860  25.434 1.000 27.842 0 215 HOH AAA O   1 ? 
HETATM 1438 O O   . HOH B 2 .   ? -16.211 21.758  14.578 1.000 19.124 0 216 HOH AAA O   1 ? 
HETATM 1439 O O   . HOH B 2 .   ? 7.081   11.673  26.252 1.000 10.374 0 217 HOH AAA O   1 ? 
HETATM 1440 O O   . HOH B 2 .   ? 4.190   16.026  30.842 1.000 37.691 0 218 HOH AAA O   1 ? 
HETATM 1441 O O   . HOH B 2 .   ? -7.582  19.475  29.171 1.000 20.598 0 219 HOH AAA O   1 ? 
HETATM 1442 O O   . HOH B 2 .   ? -4.767  31.484  31.708 1.000 43.031 0 220 HOH AAA O   1 ? 
HETATM 1443 O O   . HOH B 2 .   ? 9.869   17.010  36.617 1.000 22.643 0 221 HOH AAA O   1 ? 
HETATM 1444 O O   . HOH B 2 .   ? 14.439  -1.322  15.603 1.000 56.280 0 222 HOH AAA O   1 ? 
HETATM 1445 O O   . HOH B 2 .   ? -2.343  -4.306  11.670 1.000 27.140 0 223 HOH AAA O   1 ? 
HETATM 1446 O O   . HOH B 2 .   ? 15.637  20.034  6.857  1.000 27.524 0 224 HOH AAA O   1 ? 
HETATM 1447 O O   . HOH B 2 .   ? 19.838  25.642  12.435 1.000 12.459 0 225 HOH AAA O   1 ? 
HETATM 1448 O O   . HOH B 2 .   ? 1.180   26.871  12.774 1.000 22.907 0 226 HOH AAA O   1 ? 
HETATM 1449 O O   . HOH B 2 .   ? -10.197 28.520  14.608 1.000 25.680 0 227 HOH AAA O   1 ? 
HETATM 1450 O O   . HOH B 2 .   ? -4.455  11.968  9.827  1.000 12.937 0 228 HOH AAA O   1 ? 
HETATM 1451 O O   . HOH B 2 .   ? 16.378  12.846  4.306  1.000 21.663 0 229 HOH AAA O   1 ? 
HETATM 1452 O O   . HOH B 2 .   ? 22.045  18.747  4.987  1.000 52.751 0 230 HOH AAA O   1 ? 
HETATM 1453 O O   . HOH B 2 .   ? 11.937  2.030   2.285  1.000 20.342 0 231 HOH AAA O   1 ? 
HETATM 1454 O O   . HOH B 2 .   ? -3.372  18.812  11.755 1.000 17.836 0 232 HOH AAA O   1 ? 
HETATM 1455 O O   . HOH B 2 .   ? -3.275  13.186  6.738  1.000 33.909 0 233 HOH AAA O   1 ? 
HETATM 1456 O O   . HOH B 2 .   ? 20.002  1.481   21.609 1.000 25.138 0 234 HOH AAA O   1 ? 
HETATM 1457 O O   . HOH B 2 .   ? 13.649  15.172  20.315 1.000 13.133 0 235 HOH AAA O   1 ? 
HETATM 1458 O O   . HOH B 2 .   ? -7.429  18.815  7.879  1.000 49.815 0 236 HOH AAA O   1 ? 
HETATM 1459 O O   . HOH B 2 .   ? 22.652  21.521  4.573  1.000 58.566 0 237 HOH AAA O   1 ? 
HETATM 1460 O O   . HOH B 2 .   ? 12.965  20.828  32.876 1.000 12.557 0 238 HOH AAA O   1 ? 
HETATM 1461 O O   . HOH B 2 .   ? -0.875  32.527  18.668 1.000 23.455 0 239 HOH AAA O   1 ? 
HETATM 1462 O O   . HOH B 2 .   ? -14.739 25.334  15.017 1.000 18.533 0 240 HOH AAA O   1 ? 
HETATM 1463 O O   . HOH B 2 .   ? 16.614  13.207  8.302  1.000 21.481 0 241 HOH AAA O   1 ? 
HETATM 1464 O O   . HOH B 2 .   ? 23.331  21.660  7.644  1.000 23.105 0 242 HOH AAA O   1 ? 
HETATM 1465 O O   . HOH B 2 .   ? -6.917  4.860   8.886  1.000 44.575 0 243 HOH AAA O   1 ? 
HETATM 1466 O O   . HOH B 2 .   ? 7.167   6.495   15.577 1.000 9.819  0 244 HOH AAA O   1 ? 
HETATM 1467 O O   . HOH B 2 .   ? 1.082   29.259  33.290 1.000 13.631 0 245 HOH AAA O   1 ? 
HETATM 1468 O O   . HOH B 2 .   ? 25.961  18.773  11.855 1.000 30.005 0 246 HOH AAA O   1 ? 
HETATM 1469 O O   . HOH B 2 .   ? -0.948  1.296   22.079 1.000 9.678  0 247 HOH AAA O   1 ? 
HETATM 1470 O O   . HOH B 2 .   ? 14.201  7.364   30.440 1.000 23.061 0 248 HOH AAA O   1 ? 
HETATM 1471 O O   . HOH B 2 .   ? 3.902   34.736  32.023 1.000 27.282 0 249 HOH AAA O   1 ? 
HETATM 1472 O O   . HOH B 2 .   ? 6.324   22.069  23.059 1.000 13.555 0 250 HOH AAA O   1 ? 
HETATM 1473 O O   . HOH B 2 .   ? 23.380  13.945  14.013 1.000 57.287 0 251 HOH AAA O   1 ? 
HETATM 1474 O O   . HOH B 2 .   ? -6.520  12.798  12.023 1.000 11.751 0 252 HOH AAA O   1 ? 
HETATM 1475 O O   . HOH B 2 .   ? -7.170  32.373  21.242 1.000 18.383 0 253 HOH AAA O   1 ? 
HETATM 1476 O O   . HOH B 2 .   ? 1.492   33.451  28.365 1.000 35.956 0 254 HOH AAA O   1 ? 
HETATM 1477 O O   . HOH B 2 .   ? 1.165   23.878  5.485  1.000 28.735 0 255 HOH AAA O   1 ? 
HETATM 1478 O O   . HOH B 2 .   ? 13.081  11.054  0.948  1.000 18.153 0 256 HOH AAA O   1 ? 
HETATM 1479 O O   . HOH B 2 .   ? 14.687  14.681  0.002  0.500 18.092 0 257 HOH AAA O   1 ? 
HETATM 1480 O O   . HOH B 2 .   ? 12.778  7.654   0.163  1.000 19.085 0 258 HOH AAA O   1 ? 
HETATM 1481 O O   . HOH B 2 .   ? 7.522   -8.020  10.918 1.000 14.593 0 259 HOH AAA O   1 ? 
HETATM 1482 O O   . HOH B 2 .   ? 26.432  22.480  14.609 1.000 17.281 0 260 HOH AAA O   1 ? 
HETATM 1483 O O   . HOH B 2 .   ? 3.649   32.565  21.803 1.000 30.366 0 261 HOH AAA O   1 ? 
HETATM 1484 O O   . HOH B 2 .   ? 11.537  -7.120  11.547 1.000 17.024 0 262 HOH AAA O   1 ? 
HETATM 1485 O O   . HOH B 2 .   ? 5.158   -8.522  9.473  1.000 9.815  0 263 HOH AAA O   1 ? 
HETATM 1486 O O   . HOH B 2 .   ? 12.115  14.430  35.512 1.000 28.616 0 264 HOH AAA O   1 ? 
HETATM 1487 O O   . HOH B 2 .   ? 15.356  10.292  13.405 1.000 13.311 0 265 HOH AAA O   1 ? 
HETATM 1488 O O   . HOH B 2 .   ? 13.549  21.930  11.289 1.000 24.537 0 266 HOH AAA O   1 ? 
HETATM 1489 O O   . HOH B 2 .   ? -13.917 30.898  16.929 1.000 26.146 0 267 HOH AAA O   1 ? 
HETATM 1490 O O   . HOH B 2 .   ? -4.498  32.325  20.478 1.000 16.372 0 268 HOH AAA O   1 ? 
HETATM 1491 O O   . HOH B 2 .   ? 4.890   33.632  28.297 1.000 26.779 0 269 HOH AAA O   1 ? 
HETATM 1492 O O   . HOH B 2 .   ? 9.006   17.930  33.698 1.000 37.864 0 270 HOH AAA O   1 ? 
HETATM 1493 O O   . HOH B 2 .   ? 9.601   -1.700  21.684 1.000 17.873 0 271 HOH AAA O   1 ? 
HETATM 1494 O O   . HOH B 2 .   ? -2.828  30.424  20.646 1.000 23.868 0 272 HOH AAA O   1 ? 
HETATM 1495 O O   . HOH B 2 .   ? 15.486  2.066   10.372 1.000 15.828 0 273 HOH AAA O   1 ? 
HETATM 1496 O O   . HOH B 2 .   ? 17.459  12.693  26.831 1.000 14.385 0 274 HOH AAA O   1 ? 
HETATM 1497 O O   . HOH B 2 .   ? 3.486   -0.590  0.389  1.000 19.651 0 275 HOH AAA O   1 ? 
HETATM 1498 O O   . HOH B 2 .   ? -10.802 31.317  22.320 1.000 26.359 0 276 HOH AAA O   1 ? 
HETATM 1499 O O   . HOH B 2 .   ? -3.602  29.518  33.931 1.000 25.760 0 277 HOH AAA O   1 ? 
HETATM 1500 O O   . HOH B 2 .   ? -4.814  -1.858  9.245  1.000 20.000 0 278 HOH AAA O   1 ? 
HETATM 1501 O O   . HOH B 2 .   ? -5.392  -11.058 15.027 1.000 41.193 0 279 HOH AAA O   1 ? 
HETATM 1502 O O   . HOH B 2 .   ? -6.574  0.601   22.167 1.000 23.549 0 280 HOH AAA O   1 ? 
HETATM 1503 O O   . HOH B 2 .   ? -7.479  11.505  23.207 1.000 18.151 0 281 HOH AAA O   1 ? 
HETATM 1504 O O   . HOH B 2 .   ? 10.364  -3.727  5.351  1.000 9.576  0 282 HOH AAA O   1 ? 
HETATM 1505 O O   . HOH B 2 .   ? -3.439  30.866  16.723 1.000 19.387 0 283 HOH AAA O   1 ? 
HETATM 1506 O O   . HOH B 2 .   ? 6.697   16.995  30.289 1.000 56.689 0 284 HOH AAA O   1 ? 
HETATM 1507 O O   . HOH B 2 .   ? -2.379  1.621   2.982  1.000 14.224 0 285 HOH AAA O   1 ? 
HETATM 1508 O O   . HOH B 2 .   ? -10.512 17.021  26.424 1.000 35.944 0 286 HOH AAA O   1 ? 
HETATM 1509 O O   . HOH B 2 .   ? 18.118  17.158  8.594  1.000 17.555 0 287 HOH AAA O   1 ? 
HETATM 1510 O O   . HOH B 2 .   ? 9.637   -0.399  2.093  1.000 10.416 0 288 HOH AAA O   1 ? 
HETATM 1511 O O   . HOH B 2 .   ? 14.088  13.492  23.646 1.000 10.307 0 289 HOH AAA O   1 ? 
HETATM 1512 O O   . HOH B 2 .   ? 20.497  28.174  5.994  1.000 23.444 0 290 HOH AAA O   1 ? 
HETATM 1513 O O   . HOH B 2 .   ? 6.476   22.189  28.299 1.000 23.075 0 291 HOH AAA O   1 ? 
HETATM 1514 O O   . HOH B 2 .   ? -7.877  8.434   17.016 1.000 17.050 0 292 HOH AAA O   1 ? 
HETATM 1515 O O   . HOH B 2 .   ? 11.027  12.816  33.462 1.000 29.250 0 293 HOH AAA O   1 ? 
HETATM 1516 O O   . HOH B 2 .   ? 4.738   22.770  13.815 1.000 20.536 0 294 HOH AAA O   1 ? 
HETATM 1517 O O   . HOH B 2 .   ? 7.725   9.200   6.327  1.000 6.154  0 295 HOH AAA O   1 ? 
HETATM 1518 O O   . HOH B 2 .   ? 13.216  -1.853  9.662  1.000 28.340 0 296 HOH AAA O   1 ? 
HETATM 1519 O O   . HOH B 2 .   ? 1.499   1.501   -0.000 0.500 1.097  0 297 HOH AAA O   1 ? 
HETATM 1520 O O   . HOH B 2 .   ? 22.061  10.039  17.842 1.000 20.380 0 298 HOH AAA O   1 ? 
HETATM 1521 O O   . HOH B 2 .   ? 11.966  -3.830  12.753 1.000 16.878 0 299 HOH AAA O   1 ? 
HETATM 1522 O O   . HOH B 2 .   ? -14.138 22.974  22.646 1.000 18.065 0 300 HOH AAA O   1 ? 
HETATM 1523 O O   . HOH B 2 .   ? -0.542  17.377  12.322 1.000 19.476 0 301 HOH AAA O   1 ? 
HETATM 1524 O O   . HOH B 2 .   ? -10.941 25.824  14.768 1.000 18.440 0 302 HOH AAA O   1 ? 
HETATM 1525 O O   . HOH B 2 .   ? 0.783   22.065  37.341 1.000 24.725 0 303 HOH AAA O   1 ? 
HETATM 1526 O O   . HOH B 2 .   ? 8.954   4.122   29.027 1.000 38.583 0 304 HOH AAA O   1 ? 
HETATM 1527 O O   . HOH B 2 .   ? 16.554  13.306  19.280 1.000 18.855 0 305 HOH AAA O   1 ? 
HETATM 1528 O O   . HOH B 2 .   ? 1.204   31.785  34.039 1.000 24.967 0 306 HOH AAA O   1 ? 
HETATM 1529 O O   . HOH B 2 .   ? 9.151   15.073  32.475 1.000 19.095 0 307 HOH AAA O   1 ? 
HETATM 1530 O O   . HOH B 2 .   ? 0.949   2.606   23.643 1.000 9.613  0 308 HOH AAA O   1 ? 
HETATM 1531 O O   . HOH B 2 .   ? 15.613  17.237  6.698  1.000 16.069 0 309 HOH AAA O   1 ? 
HETATM 1532 O O   . HOH B 2 .   ? 3.570   -4.350  15.037 1.000 15.892 0 310 HOH AAA O   1 ? 
HETATM 1533 O O   . HOH B 2 .   ? -6.765  8.289   4.323  1.000 24.374 0 311 HOH AAA O   1 ? 
HETATM 1534 O O   . HOH B 2 .   ? -7.197  11.128  25.771 1.000 21.132 0 312 HOH AAA O   1 ? 
HETATM 1535 O O   . HOH B 2 .   ? 22.662  18.907  20.359 1.000 17.243 0 313 HOH AAA O   1 ? 
HETATM 1536 O O   . HOH B 2 .   ? -5.473  32.807  17.904 1.000 19.875 0 314 HOH AAA O   1 ? 
HETATM 1537 O O   . HOH B 2 .   ? -8.136  12.444  9.737  1.000 40.122 0 315 HOH AAA O   1 ? 
HETATM 1538 O O   . HOH B 2 .   ? 6.935   34.263  34.572 1.000 45.916 0 316 HOH AAA O   1 ? 
HETATM 1539 O O   . HOH B 2 .   ? 7.946   26.383  33.423 1.000 20.737 0 317 HOH AAA O   1 ? 
HETATM 1540 O O   . HOH B 2 .   ? -1.587  21.678  9.068  1.000 23.030 0 318 HOH AAA O   1 ? 
HETATM 1541 O O   . HOH B 2 .   ? 14.858  11.996  21.436 1.000 13.658 0 319 HOH AAA O   1 ? 
HETATM 1542 O O   . HOH B 2 .   ? 17.496  26.823  6.070  1.000 22.355 0 320 HOH AAA O   1 ? 
HETATM 1543 O O   . HOH B 2 .   ? -1.977  -5.415  8.811  1.000 26.410 0 321 HOH AAA O   1 ? 
HETATM 1544 O O   . HOH B 2 .   ? 18.870  10.287  27.009 1.000 26.775 0 322 HOH AAA O   1 ? 
HETATM 1545 O O   . HOH B 2 .   ? -11.145 24.759  8.498  1.000 29.072 0 323 HOH AAA O   1 ? 
HETATM 1546 O O   . HOH B 2 .   ? 25.496  17.355  9.623  1.000 52.609 0 324 HOH AAA O   1 ? 
HETATM 1547 O O   . HOH B 2 .   ? 5.868   3.562   21.885 1.000 30.331 0 325 HOH AAA O   1 ? 
HETATM 1548 O O   . HOH B 2 .   ? 5.499   6.064   28.991 1.000 37.963 0 326 HOH AAA O   1 ? 
HETATM 1549 O O   . HOH B 2 .   ? -0.704  -8.695  8.256  1.000 42.080 0 327 HOH AAA O   1 ? 
HETATM 1550 O O   . HOH B 2 .   ? 13.347  0.303   15.346 1.000 33.212 0 328 HOH AAA O   1 ? 
HETATM 1551 O O   . HOH B 2 .   ? 23.432  12.824  16.141 1.000 46.311 0 329 HOH AAA O   1 ? 
HETATM 1552 O O   . HOH B 2 .   ? 1.858   28.634  10.302 1.000 25.319 0 330 HOH AAA O   1 ? 
HETATM 1553 O O   . HOH B 2 .   ? 3.624   6.385   32.708 1.000 55.364 0 331 HOH AAA O   1 ? 
HETATM 1554 O O   . HOH B 2 .   ? -4.542  -2.510  20.660 1.000 35.894 0 332 HOH AAA O   1 ? 
HETATM 1555 O O   . HOH B 2 .   ? 10.244  23.765  2.113  1.000 29.538 0 333 HOH AAA O   1 ? 
HETATM 1556 O O   . HOH B 2 .   ? 16.226  25.237  3.742  1.000 37.235 0 334 HOH AAA O   1 ? 
HETATM 1557 O O   . HOH B 2 .   ? 26.038  23.182  11.900 1.000 28.913 0 335 HOH AAA O   1 ? 
HETATM 1558 O O   . HOH B 2 .   ? -9.422  20.076  8.999  1.000 28.697 0 336 HOH AAA O   1 ? 
HETATM 1559 O O   . HOH B 2 .   ? 17.500  14.908  10.198 1.000 17.722 0 337 HOH AAA O   1 ? 
HETATM 1560 O O   . HOH B 2 .   ? 6.717   19.555  23.604 1.000 26.810 0 338 HOH AAA O   1 ? 
HETATM 1561 O O   . HOH B 2 .   ? 17.572  10.953  12.143 1.000 24.513 0 339 HOH AAA O   1 ? 
HETATM 1562 O O   . HOH B 2 .   ? 22.628  16.438  19.396 1.000 28.225 0 340 HOH AAA O   1 ? 
HETATM 1563 O O   . HOH B 2 .   ? 25.950  21.574  7.154  1.000 38.560 0 341 HOH AAA O   1 ? 
HETATM 1564 O O   . HOH B 2 .   ? -1.784  18.858  9.455  1.000 31.781 0 342 HOH AAA O   1 ? 
HETATM 1565 O O   . HOH B 2 .   ? -14.192 20.888  24.902 1.000 47.452 0 343 HOH AAA O   1 ? 
HETATM 1566 O O   . HOH B 2 .   ? -15.770 26.180  27.741 1.000 32.010 0 344 HOH AAA O   1 ? 
HETATM 1567 O O   . HOH B 2 .   ? -13.335 29.669  14.531 1.000 24.532 0 345 HOH AAA O   1 ? 
HETATM 1568 O O   . HOH B 2 .   ? 0.798   34.614  31.089 1.000 33.290 0 346 HOH AAA O   1 ? 
HETATM 1569 O O   . HOH B 2 .   ? -7.377  -1.275  8.927  1.000 43.479 0 347 HOH AAA O   1 ? 
HETATM 1570 O O   . HOH B 2 .   ? -2.137  33.100  15.385 1.000 23.314 0 348 HOH AAA O   1 ? 
HETATM 1571 O O   . HOH B 2 .   ? 14.070  0.150   2.028  1.000 31.357 0 349 HOH AAA O   1 ? 
HETATM 1572 O O   . HOH B 2 .   ? 9.374   22.748  22.954 1.000 27.732 0 350 HOH AAA O   1 ? 
HETATM 1573 O O   . HOH B 2 .   ? -10.892 15.409  23.118 1.000 36.821 0 351 HOH AAA O   1 ? 
HETATM 1574 O O   . HOH B 2 .   ? -13.432 30.904  12.103 1.000 30.730 0 352 HOH AAA O   1 ? 
# 
