data_9GLH
# 
_entry.id   9GLH 
# 
_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   9GLH         pdb_00009glh 10.2210/pdb9glh/pdb 
WWPDB D_1292141243 ?            ?                   
# 
_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                        9GLH 
_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 
# 
_pdbx_database_related.db_name        PDB 
_pdbx_database_related.details        . 
_pdbx_database_related.db_id          2Z6O 
_pdbx_database_related.content_type   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' 19626.518 1   ? T106S ? 
'Threonine at position 106 is mutated to Serine' 
2 non-polymer syn 'SULFATE ION'                                  96.063    1   ? ?     ? ? 
3 water       nat water                                          18.015    223 ? ?     ? ? 
# 
_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
EFDIEFDIPITYPTTAPEIAVPELDGKSAKMYRGGKICLTDHFKPLWARNVPKFGLAHLMALGLGPWLAVEIPDLIQKGV
IHHKEKCNQ
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GSMADEATRRVVSEIPVLKTNAGPRDRELWVQRLKEEYQSLIRYVENNKNADNDWFRLESNKEGTRWFGKCWYIHDLLKY
EFDIEFDIPITYPTTAPEIAVPELDGKSAKMYRGGKICLTDHFKPLWARNVPKFGLAHLMALGLGPWLAVEIPDLIQKGV
IHHKEKCNQ
;
_entity_poly.pdbx_strand_id                 AAA 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'SULFATE ION' SO4 
3 water         HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLY n 
1 2   SER n 
1 3   MET n 
1 4   ALA n 
1 5   ASP n 
1 6   GLU n 
1 7   ALA n 
1 8   THR n 
1 9   ARG n 
1 10  ARG n 
1 11  VAL n 
1 12  VAL n 
1 13  SER n 
1 14  GLU n 
1 15  ILE n 
1 16  PRO n 
1 17  VAL n 
1 18  LEU n 
1 19  LYS n 
1 20  THR n 
1 21  ASN n 
1 22  ALA n 
1 23  GLY n 
1 24  PRO n 
1 25  ARG n 
1 26  ASP n 
1 27  ARG n 
1 28  GLU n 
1 29  LEU n 
1 30  TRP n 
1 31  VAL n 
1 32  GLN n 
1 33  ARG n 
1 34  LEU n 
1 35  LYS n 
1 36  GLU n 
1 37  GLU n 
1 38  TYR n 
1 39  GLN n 
1 40  SER n 
1 41  LEU n 
1 42  ILE n 
1 43  ARG n 
1 44  TYR n 
1 45  VAL n 
1 46  GLU n 
1 47  ASN n 
1 48  ASN n 
1 49  LYS n 
1 50  ASN n 
1 51  ALA n 
1 52  ASP n 
1 53  ASN n 
1 54  ASP n 
1 55  TRP n 
1 56  PHE n 
1 57  ARG n 
1 58  LEU n 
1 59  GLU n 
1 60  SER n 
1 61  ASN n 
1 62  LYS n 
1 63  GLU n 
1 64  GLY n 
1 65  THR n 
1 66  ARG n 
1 67  TRP n 
1 68  PHE n 
1 69  GLY n 
1 70  LYS n 
1 71  CYS n 
1 72  TRP n 
1 73  TYR n 
1 74  ILE n 
1 75  HIS n 
1 76  ASP n 
1 77  LEU n 
1 78  LEU n 
1 79  LYS n 
1 80  TYR n 
1 81  GLU n 
1 82  PHE n 
1 83  ASP n 
1 84  ILE n 
1 85  GLU n 
1 86  PHE n 
1 87  ASP n 
1 88  ILE n 
1 89  PRO n 
1 90  ILE n 
1 91  THR n 
1 92  TYR n 
1 93  PRO n 
1 94  THR n 
1 95  THR n 
1 96  ALA n 
1 97  PRO n 
1 98  GLU n 
1 99  ILE n 
1 100 ALA n 
1 101 VAL n 
1 102 PRO n 
1 103 GLU n 
1 104 LEU n 
1 105 ASP n 
1 106 GLY n 
1 107 LYS n 
1 108 SER 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 
SO4 non-polymer         . 'SULFATE ION'   ? 'O4 S -2'        96.063  
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 SER 108 106 106 SER SER AAA . n 
A 1 109 ALA 109 107 107 ALA ALA AAA . n 
A 1 110 LYS 110 108 108 LYS LYS AAA . n 
A 1 111 MET 111 109 109 MET MET AAA . n 
A 1 112 TYR 112 110 110 TYR TYR AAA . n 
A 1 113 ARG 113 111 111 ARG ARG AAA . n 
A 1 114 GLY 114 112 112 GLY GLY AAA . n 
A 1 115 GLY 115 113 113 GLY GLY AAA . n 
A 1 116 LYS 116 114 114 LYS LYS AAA . n 
A 1 117 ILE 117 115 115 ILE ILE AAA . n 
A 1 118 CYS 118 116 116 CYS CYS AAA . n 
A 1 119 LEU 119 117 117 LEU LEU AAA . n 
A 1 120 THR 120 118 118 THR THR AAA . n 
A 1 121 ASP 121 119 119 ASP ASP AAA . n 
A 1 122 HIS 122 120 120 HIS HIS AAA . n 
A 1 123 PHE 123 121 121 PHE PHE AAA . n 
A 1 124 LYS 124 122 122 LYS LYS AAA . n 
A 1 125 PRO 125 123 123 PRO PRO AAA . n 
A 1 126 LEU 126 124 124 LEU LEU AAA . n 
A 1 127 TRP 127 125 125 TRP TRP AAA . n 
A 1 128 ALA 128 126 126 ALA ALA AAA . n 
A 1 129 ARG 129 127 127 ARG ARG AAA . n 
A 1 130 ASN 130 128 128 ASN ASN AAA . n 
A 1 131 VAL 131 129 129 VAL VAL AAA . n 
A 1 132 PRO 132 130 130 PRO PRO AAA . n 
A 1 133 LYS 133 131 131 LYS LYS AAA . n 
A 1 134 PHE 134 132 132 PHE PHE AAA . n 
A 1 135 GLY 135 133 133 GLY GLY AAA . n 
A 1 136 LEU 136 134 134 LEU LEU AAA . n 
A 1 137 ALA 137 135 135 ALA ALA AAA . n 
A 1 138 HIS 138 136 136 HIS HIS AAA . n 
A 1 139 LEU 139 137 137 LEU LEU AAA . n 
A 1 140 MET 140 138 138 MET MET AAA . n 
A 1 141 ALA 141 139 139 ALA ALA AAA . n 
A 1 142 LEU 142 140 140 LEU LEU AAA . n 
A 1 143 GLY 143 141 141 GLY GLY AAA . n 
A 1 144 LEU 144 142 142 LEU LEU AAA . n 
A 1 145 GLY 145 143 143 GLY GLY AAA . n 
A 1 146 PRO 146 144 144 PRO PRO AAA . n 
A 1 147 TRP 147 145 145 TRP TRP AAA . n 
A 1 148 LEU 148 146 146 LEU LEU AAA . n 
A 1 149 ALA 149 147 147 ALA ALA AAA . n 
A 1 150 VAL 150 148 148 VAL VAL AAA . n 
A 1 151 GLU 151 149 149 GLU GLU AAA . n 
A 1 152 ILE 152 150 150 ILE ILE AAA . n 
A 1 153 PRO 153 151 151 PRO PRO AAA . n 
A 1 154 ASP 154 152 152 ASP ASP AAA . n 
A 1 155 LEU 155 153 153 LEU LEU AAA . n 
A 1 156 ILE 156 154 154 ILE ILE AAA . n 
A 1 157 GLN 157 155 155 GLN GLN AAA . n 
A 1 158 LYS 158 156 156 LYS LYS AAA . n 
A 1 159 GLY 159 157 157 GLY GLY AAA . n 
A 1 160 VAL 160 158 158 VAL VAL AAA . n 
A 1 161 ILE 161 159 159 ILE ILE AAA . n 
A 1 162 HIS 162 160 160 HIS HIS AAA . n 
A 1 163 HIS 163 161 161 HIS HIS AAA . n 
A 1 164 LYS 164 162 162 LYS LYS AAA . n 
A 1 165 GLU 165 163 163 GLU GLU AAA . n 
A 1 166 LYS 166 164 164 LYS LYS AAA . n 
A 1 167 CYS 167 165 ?   ?   ?   AAA . n 
A 1 168 ASN 168 166 ?   ?   ?   AAA . n 
A 1 169 GLN 169 167 ?   ?   ?   AAA . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 SO4 1   201 201 SO4 SO4 AAA . 
C 3 HOH 1   301 128 HOH HOH AAA . 
C 3 HOH 2   302 158 HOH HOH AAA . 
C 3 HOH 3   303 62  HOH HOH AAA . 
C 3 HOH 4   304 88  HOH HOH AAA . 
C 3 HOH 5   305 183 HOH HOH AAA . 
C 3 HOH 6   306 82  HOH HOH AAA . 
C 3 HOH 7   307 113 HOH HOH AAA . 
C 3 HOH 8   308 155 HOH HOH AAA . 
C 3 HOH 9   309 60  HOH HOH AAA . 
C 3 HOH 10  310 194 HOH HOH AAA . 
C 3 HOH 11  311 144 HOH HOH AAA . 
C 3 HOH 12  312 171 HOH HOH AAA . 
C 3 HOH 13  313 1   HOH HOH AAA . 
C 3 HOH 14  314 110 HOH HOH AAA . 
C 3 HOH 15  315 125 HOH HOH AAA . 
C 3 HOH 16  316 105 HOH HOH AAA . 
C 3 HOH 17  317 237 HOH HOH AAA . 
C 3 HOH 18  318 25  HOH HOH AAA . 
C 3 HOH 19  319 69  HOH HOH AAA . 
C 3 HOH 20  320 117 HOH HOH AAA . 
C 3 HOH 21  321 87  HOH HOH AAA . 
C 3 HOH 22  322 81  HOH HOH AAA . 
C 3 HOH 23  323 199 HOH HOH AAA . 
C 3 HOH 24  324 21  HOH HOH AAA . 
C 3 HOH 25  325 145 HOH HOH AAA . 
C 3 HOH 26  326 6   HOH HOH AAA . 
C 3 HOH 27  327 106 HOH HOH AAA . 
C 3 HOH 28  328 161 HOH HOH AAA . 
C 3 HOH 29  329 173 HOH HOH AAA . 
C 3 HOH 30  330 154 HOH HOH AAA . 
C 3 HOH 31  331 8   HOH HOH AAA . 
C 3 HOH 32  332 112 HOH HOH AAA . 
C 3 HOH 33  333 54  HOH HOH AAA . 
C 3 HOH 34  334 67  HOH HOH AAA . 
C 3 HOH 35  335 204 HOH HOH AAA . 
C 3 HOH 36  336 13  HOH HOH AAA . 
C 3 HOH 37  337 195 HOH HOH AAA . 
C 3 HOH 38  338 159 HOH HOH AAA . 
C 3 HOH 39  339 36  HOH HOH AAA . 
C 3 HOH 40  340 32  HOH HOH AAA . 
C 3 HOH 41  341 39  HOH HOH AAA . 
C 3 HOH 42  342 7   HOH HOH AAA . 
C 3 HOH 43  343 27  HOH HOH AAA . 
C 3 HOH 44  344 91  HOH HOH AAA . 
C 3 HOH 45  345 191 HOH HOH AAA . 
C 3 HOH 46  346 16  HOH HOH AAA . 
C 3 HOH 47  347 85  HOH HOH AAA . 
C 3 HOH 48  348 78  HOH HOH AAA . 
C 3 HOH 49  349 11  HOH HOH AAA . 
C 3 HOH 50  350 89  HOH HOH AAA . 
C 3 HOH 51  351 9   HOH HOH AAA . 
C 3 HOH 52  352 3   HOH HOH AAA . 
C 3 HOH 53  353 15  HOH HOH AAA . 
C 3 HOH 54  354 41  HOH HOH AAA . 
C 3 HOH 55  355 2   HOH HOH AAA . 
C 3 HOH 56  356 57  HOH HOH AAA . 
C 3 HOH 57  357 152 HOH HOH AAA . 
C 3 HOH 58  358 137 HOH HOH AAA . 
C 3 HOH 59  359 63  HOH HOH AAA . 
C 3 HOH 60  360 90  HOH HOH AAA . 
C 3 HOH 61  361 160 HOH HOH AAA . 
C 3 HOH 62  362 146 HOH HOH AAA . 
C 3 HOH 63  363 79  HOH HOH AAA . 
C 3 HOH 64  364 58  HOH HOH AAA . 
C 3 HOH 65  365 129 HOH HOH AAA . 
C 3 HOH 66  366 28  HOH HOH AAA . 
C 3 HOH 67  367 14  HOH HOH AAA . 
C 3 HOH 68  368 95  HOH HOH AAA . 
C 3 HOH 69  369 46  HOH HOH AAA . 
C 3 HOH 70  370 40  HOH HOH AAA . 
C 3 HOH 71  371 51  HOH HOH AAA . 
C 3 HOH 72  372 83  HOH HOH AAA . 
C 3 HOH 73  373 111 HOH HOH AAA . 
C 3 HOH 74  374 201 HOH HOH AAA . 
C 3 HOH 75  375 150 HOH HOH AAA . 
C 3 HOH 76  376 104 HOH HOH AAA . 
C 3 HOH 77  377 35  HOH HOH AAA . 
C 3 HOH 78  378 197 HOH HOH AAA . 
C 3 HOH 79  379 120 HOH HOH AAA . 
C 3 HOH 80  380 18  HOH HOH AAA . 
C 3 HOH 81  381 12  HOH HOH AAA . 
C 3 HOH 82  382 24  HOH HOH AAA . 
C 3 HOH 83  383 84  HOH HOH AAA . 
C 3 HOH 84  384 107 HOH HOH AAA . 
C 3 HOH 85  385 103 HOH HOH AAA . 
C 3 HOH 86  386 93  HOH HOH AAA . 
C 3 HOH 87  387 38  HOH HOH AAA . 
C 3 HOH 88  388 23  HOH HOH AAA . 
C 3 HOH 89  389 135 HOH HOH AAA . 
C 3 HOH 90  390 66  HOH HOH AAA . 
C 3 HOH 91  391 20  HOH HOH AAA . 
C 3 HOH 92  392 148 HOH HOH AAA . 
C 3 HOH 93  393 220 HOH HOH AAA . 
C 3 HOH 94  394 33  HOH HOH AAA . 
C 3 HOH 95  395 55  HOH HOH AAA . 
C 3 HOH 96  396 5   HOH HOH AAA . 
C 3 HOH 97  397 59  HOH HOH AAA . 
C 3 HOH 98  398 72  HOH HOH AAA . 
C 3 HOH 99  399 52  HOH HOH AAA . 
C 3 HOH 100 400 73  HOH HOH AAA . 
C 3 HOH 101 401 179 HOH HOH AAA . 
C 3 HOH 102 402 187 HOH HOH AAA . 
C 3 HOH 103 403 77  HOH HOH AAA . 
C 3 HOH 104 404 132 HOH HOH AAA . 
C 3 HOH 105 405 175 HOH HOH AAA . 
C 3 HOH 106 406 17  HOH HOH AAA . 
C 3 HOH 107 407 123 HOH HOH AAA . 
C 3 HOH 108 408 228 HOH HOH AAA . 
C 3 HOH 109 409 76  HOH HOH AAA . 
C 3 HOH 110 410 134 HOH HOH AAA . 
C 3 HOH 111 411 10  HOH HOH AAA . 
C 3 HOH 112 412 30  HOH HOH AAA . 
C 3 HOH 113 413 98  HOH HOH AAA . 
C 3 HOH 114 414 68  HOH HOH AAA . 
C 3 HOH 115 415 26  HOH HOH AAA . 
C 3 HOH 116 416 186 HOH HOH AAA . 
C 3 HOH 117 417 65  HOH HOH AAA . 
C 3 HOH 118 418 223 HOH HOH AAA . 
C 3 HOH 119 419 100 HOH HOH AAA . 
C 3 HOH 120 420 45  HOH HOH AAA . 
C 3 HOH 121 421 119 HOH HOH AAA . 
C 3 HOH 122 422 99  HOH HOH AAA . 
C 3 HOH 123 423 22  HOH HOH AAA . 
C 3 HOH 124 424 122 HOH HOH AAA . 
C 3 HOH 125 425 168 HOH HOH AAA . 
C 3 HOH 126 426 37  HOH HOH AAA . 
C 3 HOH 127 427 42  HOH HOH AAA . 
C 3 HOH 128 428 116 HOH HOH AAA . 
C 3 HOH 129 429 214 HOH HOH AAA . 
C 3 HOH 130 430 47  HOH HOH AAA . 
C 3 HOH 131 431 170 HOH HOH AAA . 
C 3 HOH 132 432 4   HOH HOH AAA . 
C 3 HOH 133 433 216 HOH HOH AAA . 
C 3 HOH 134 434 102 HOH HOH AAA . 
C 3 HOH 135 435 80  HOH HOH AAA . 
C 3 HOH 136 436 92  HOH HOH AAA . 
C 3 HOH 137 437 43  HOH HOH AAA . 
C 3 HOH 138 438 157 HOH HOH AAA . 
C 3 HOH 139 439 167 HOH HOH AAA . 
C 3 HOH 140 440 136 HOH HOH AAA . 
C 3 HOH 141 441 74  HOH HOH AAA . 
C 3 HOH 142 442 64  HOH HOH AAA . 
C 3 HOH 143 443 29  HOH HOH AAA . 
C 3 HOH 144 444 208 HOH HOH AAA . 
C 3 HOH 145 445 108 HOH HOH AAA . 
C 3 HOH 146 446 86  HOH HOH AAA . 
C 3 HOH 147 447 31  HOH HOH AAA . 
C 3 HOH 148 448 70  HOH HOH AAA . 
C 3 HOH 149 449 94  HOH HOH AAA . 
C 3 HOH 150 450 71  HOH HOH AAA . 
C 3 HOH 151 451 53  HOH HOH AAA . 
C 3 HOH 152 452 34  HOH HOH AAA . 
C 3 HOH 153 453 19  HOH HOH AAA . 
C 3 HOH 154 454 188 HOH HOH AAA . 
C 3 HOH 155 455 131 HOH HOH AAA . 
C 3 HOH 156 456 48  HOH HOH AAA . 
C 3 HOH 157 457 101 HOH HOH AAA . 
C 3 HOH 158 458 165 HOH HOH AAA . 
C 3 HOH 159 459 177 HOH HOH AAA . 
C 3 HOH 160 460 164 HOH HOH AAA . 
C 3 HOH 161 461 196 HOH HOH AAA . 
C 3 HOH 162 462 172 HOH HOH AAA . 
C 3 HOH 163 463 44  HOH HOH AAA . 
C 3 HOH 164 464 166 HOH HOH AAA . 
C 3 HOH 165 465 124 HOH HOH AAA . 
C 3 HOH 166 466 49  HOH HOH AAA . 
C 3 HOH 167 467 153 HOH HOH AAA . 
C 3 HOH 168 468 181 HOH HOH AAA . 
C 3 HOH 169 469 163 HOH HOH AAA . 
C 3 HOH 170 470 109 HOH HOH AAA . 
C 3 HOH 171 471 61  HOH HOH AAA . 
C 3 HOH 172 472 185 HOH HOH AAA . 
C 3 HOH 173 473 75  HOH HOH AAA . 
C 3 HOH 174 474 50  HOH HOH AAA . 
C 3 HOH 175 475 189 HOH HOH AAA . 
C 3 HOH 176 476 226 HOH HOH AAA . 
C 3 HOH 177 477 231 HOH HOH AAA . 
C 3 HOH 178 478 162 HOH HOH AAA . 
C 3 HOH 179 479 97  HOH HOH AAA . 
C 3 HOH 180 480 193 HOH HOH AAA . 
C 3 HOH 181 481 219 HOH HOH AAA . 
C 3 HOH 182 482 227 HOH HOH AAA . 
C 3 HOH 183 483 151 HOH HOH AAA . 
C 3 HOH 184 484 178 HOH HOH AAA . 
C 3 HOH 185 485 217 HOH HOH AAA . 
C 3 HOH 186 486 142 HOH HOH AAA . 
C 3 HOH 187 487 138 HOH HOH AAA . 
C 3 HOH 188 488 133 HOH HOH AAA . 
C 3 HOH 189 489 225 HOH HOH AAA . 
C 3 HOH 190 490 222 HOH HOH AAA . 
C 3 HOH 191 491 176 HOH HOH AAA . 
C 3 HOH 192 492 239 HOH HOH AAA . 
C 3 HOH 193 493 235 HOH HOH AAA . 
C 3 HOH 194 494 139 HOH HOH AAA . 
C 3 HOH 195 495 213 HOH HOH AAA . 
C 3 HOH 196 496 126 HOH HOH AAA . 
C 3 HOH 197 497 230 HOH HOH AAA . 
C 3 HOH 198 498 224 HOH HOH AAA . 
C 3 HOH 199 499 236 HOH HOH AAA . 
C 3 HOH 200 500 141 HOH HOH AAA . 
C 3 HOH 201 501 229 HOH HOH AAA . 
C 3 HOH 202 502 114 HOH HOH AAA . 
C 3 HOH 203 503 121 HOH HOH AAA . 
C 3 HOH 204 504 232 HOH HOH AAA . 
C 3 HOH 205 505 115 HOH HOH AAA . 
C 3 HOH 206 506 184 HOH HOH AAA . 
C 3 HOH 207 507 143 HOH HOH AAA . 
C 3 HOH 208 508 238 HOH HOH AAA . 
C 3 HOH 209 509 233 HOH HOH AAA . 
C 3 HOH 210 510 180 HOH HOH AAA . 
C 3 HOH 211 511 140 HOH HOH AAA . 
C 3 HOH 212 512 118 HOH HOH AAA . 
C 3 HOH 213 513 130 HOH HOH AAA . 
C 3 HOH 214 514 221 HOH HOH AAA . 
C 3 HOH 215 515 96  HOH HOH AAA . 
C 3 HOH 216 516 56  HOH HOH AAA . 
C 3 HOH 217 517 147 HOH HOH AAA . 
C 3 HOH 218 518 174 HOH HOH AAA . 
C 3 HOH 219 519 156 HOH HOH AAA . 
C 3 HOH 220 520 202 HOH HOH AAA . 
C 3 HOH 221 521 218 HOH HOH AAA . 
C 3 HOH 222 522 182 HOH HOH AAA . 
C 3 HOH 223 523 205 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  ? CD  ? A ARG 27  CD  
2  1 Y 1 AAA ARG 25  ? NE  ? A ARG 27  NE  
3  1 Y 1 AAA ARG 25  ? CZ  ? A ARG 27  CZ  
4  1 Y 1 AAA ARG 25  ? NH1 ? A ARG 27  NH1 
5  1 Y 1 AAA ARG 25  ? NH2 ? A ARG 27  NH2 
6  1 Y 1 AAA ARG 111 ? CG  ? A ARG 113 CG  
7  1 Y 1 AAA ARG 111 ? CD  ? A ARG 113 CD  
8  1 Y 1 AAA ARG 111 ? NE  ? A ARG 113 NE  
9  1 Y 1 AAA ARG 111 ? CZ  ? A ARG 113 CZ  
10 1 Y 1 AAA ARG 111 ? NH1 ? A ARG 113 NH1 
11 1 Y 1 AAA ARG 111 ? NH2 ? A ARG 113 NH2 
12 1 Y 1 AAA LYS 162 ? CG  ? A LYS 164 CG  
13 1 Y 1 AAA LYS 162 ? CD  ? A LYS 164 CD  
14 1 Y 1 AAA LYS 162 ? CE  ? A LYS 164 CE  
15 1 Y 1 AAA LYS 162 ? NZ  ? A LYS 164 NZ  
16 1 Y 1 AAA LYS 164 ? CG  ? A LYS 166 CG  
17 1 Y 1 AAA LYS 164 ? CD  ? A LYS 166 CD  
18 1 Y 1 AAA LYS 164 ? CE  ? A LYS 166 CE  
19 1 Y 1 AAA LYS 164 ? NZ  ? A LYS 166 NZ  
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? 'data processing' ? ? ? ? ? ? ? ? ? ? ? autoPROC ? ? ? .        1 
? 'data reduction'  ? ? ? ? ? ? ? ? ? ? ? autoPROC ? ? ? .        2 
? 'data scaling'    ? ? ? ? ? ? ? ? ? ? ? autoPROC ? ? ? .        3 
? refinement        ? ? ? ? ? ? ? ? ? ? ? REFMAC   ? ? ? 5.8.0267 4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9GLH 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     47.160 
_cell.length_a_esd                 ? 
_cell.length_b                     47.160 
_cell.length_b_esd                 ? 
_cell.length_c                     143.616 
_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                         9GLH 
_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                   9GLH 
_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             2.03 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          39.54 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              6.0 
_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 Malonate dibasic monohydrate pH 6.0.' 
_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 EIGER X 16M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2022-11-09 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.87313 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'ESRF BEAMLINE ID23-1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.87313 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ID23-1 
_diffrn_source.pdbx_synchrotron_site       ESRF 
# 
_reflns.B_iso_Wilson_estimate                          12.88 
_reflns.entry_id                                       9GLH 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.115 
_reflns.d_resolution_low                               33.35 
_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                                     63633 
_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                           98.88 
_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                          14.67 
_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                                0.02378 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   1 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.115 
_reflns_shell.d_res_low                                     1.154 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           2.50 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             5823 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               2.0 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               0.3585 
_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                                  0.818 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          92.21 
_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]                            -0.114 
_refine.aniso_B[1][2]                            0.000 
_refine.aniso_B[1][3]                            0.000 
_refine.aniso_B[2][2]                            -0.114 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            0.228 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               14.251 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.972 
_refine.correlation_coeff_Fo_to_Fc_free          0.967 
_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                                 9GLH 
_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                            1.115 
_refine.ls_d_res_low                             33.35 
_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                     63633 
_refine.ls_number_reflns_R_free                  3175 
_refine.ls_number_reflns_R_work                  60458 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    98.887 
_refine.ls_percent_reflns_R_free                 4.990 
_refine.ls_R_factor_all                          0.175 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.1920 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1740 
_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                       0.034 
_refine.pdbx_overall_ESU_R_Free                  0.035 
_refine.pdbx_solvent_vdw_probe_radii             1.200 
_refine.pdbx_solvent_ion_probe_radii             0.800 
_refine.pdbx_solvent_shrinkage_radii             0.800 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             0.495 
_refine.overall_SU_ML                            0.024 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        1337 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         5 
_refine_hist.number_atoms_solvent             223 
_refine_hist.number_atoms_total               1565 
_refine_hist.d_res_high                       1.115 
_refine_hist.d_res_low                        33.35 
# 
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' ? 0.017  0.013  1398 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.015  1305 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 2.002  1.643  1902 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 1.556  1.583  3011 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 6.359  5.000  168  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 30.690 22.133 75   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 10.393 15.000 236  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 12.296 15.000 9    ? r_dihedral_angle_4_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.128  0.200  175  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.012  0.020  1567 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  323  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.229  0.200  272  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.187  0.200  1133 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.178  0.200  681  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.085  0.200  571  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.115  0.200  105  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.417  0.200  19   ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.263  0.200  41   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.207  0.200  34   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 1.303  1.245  669  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.304  1.242  668  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 1.763  1.874  838  ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 1.762  1.877  839  ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 2.549  1.483  729  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.501  1.481  726  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 3.523  2.138  1064 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.517  2.127  1058 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 4.429  15.982 1644 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 4.246  15.309 1604 ? 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' 1.115 1.144 . . 222 4221 95.3229  . . . . 0.240 . . . . . . . . . . . 0.248 
'X-RAY DIFFRACTION' 1.144 1.175 . . 211 3860 89.1200  . . . . 0.230 . . . . . . . . . . . 0.248 
'X-RAY DIFFRACTION' 1.175 1.209 . . 225 4241 100.0000 . . . . 0.211 . . . . . . . . . . . 0.219 
'X-RAY DIFFRACTION' 1.209 1.246 . . 191 4094 100.0000 . . . . 0.197 . . . . . . . . . . . 0.221 
'X-RAY DIFFRACTION' 1.246 1.287 . . 205 3972 100.0000 . . . . 0.188 . . . . . . . . . . . 0.217 
'X-RAY DIFFRACTION' 1.287 1.332 . . 209 3838 100.0000 . . . . 0.180 . . . . . . . . . . . 0.180 
'X-RAY DIFFRACTION' 1.332 1.382 . . 189 3730 100.0000 . . . . 0.173 . . . . . . . . . . . 0.189 
'X-RAY DIFFRACTION' 1.382 1.439 . . 190 3591 100.0000 . . . . 0.174 . . . . . . . . . . . 0.199 
'X-RAY DIFFRACTION' 1.439 1.503 . . 181 3430 100.0000 . . . . 0.167 . . . . . . . . . . . 0.204 
'X-RAY DIFFRACTION' 1.503 1.576 . . 193 3311 100.0000 . . . . 0.162 . . . . . . . . . . . 0.171 
'X-RAY DIFFRACTION' 1.576 1.661 . . 150 3154 100.0000 . . . . 0.161 . . . . . . . . . . . 0.198 
'X-RAY DIFFRACTION' 1.661 1.762 . . 187 2966 100.0000 . . . . 0.164 . . . . . . . . . . . 0.194 
'X-RAY DIFFRACTION' 1.762 1.883 . . 144 2841 100.0000 . . . . 0.167 . . . . . . . . . . . 0.194 
'X-RAY DIFFRACTION' 1.883 2.034 . . 125 2640 100.0000 . . . . 0.164 . . . . . . . . . . . 0.197 
'X-RAY DIFFRACTION' 2.034 2.227 . . 117 2475 100.0000 . . . . 0.158 . . . . . . . . . . . 0.175 
'X-RAY DIFFRACTION' 2.227 2.489 . . 111 2227 100.0000 . . . . 0.164 . . . . . . . . . . . 0.176 
'X-RAY DIFFRACTION' 2.489 2.873 . . 105 1976 100.0000 . . . . 0.181 . . . . . . . . . . . 0.218 
'X-RAY DIFFRACTION' 2.873 3.515 . . 98  1703 100.0000 . . . . 0.170 . . . . . . . . . . . 0.216 
'X-RAY DIFFRACTION' 3.515 4.956 . . 73  1358 100.0000 . . . . 0.154 . . . . . . . . . . . 0.146 
# 
_struct.entry_id                     9GLH 
_struct.title                        'Crystal Structure of UFC1 T106S' 
_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        9GLH 
_struct_keywords.text            
'UFM1 conjugating enzyme1, UBC core domain containing protein, Brain development, Infantile encephalopathy, LIGASE' 
_struct_keywords.pdbx_keywords   LIGASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    UFC1_HUMAN 
_struct_ref.pdbx_db_accession          Q9Y3C8 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;MADEATRRVVSEIPVLKTNAGPRDRELWVQRLKEEYQSLIRYVENNKNADNDWFRLESNKEGTRWFGKCWYIHDLLKYEF
DIEFDIPITYPTTAPEIAVPELDGKTAKMYRGGKICLTDHFKPLWARNVPKFGLAHLMALGLGPWLAVEIPDLIQKGVIQ
HKEKCNQ
;
_struct_ref.pdbx_align_begin           1 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9GLH 
_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 9GLH GLY AAA 1   ? UNP Q9Y3C8 ?   ?   'expression tag'      -1  1 
1 9GLH SER AAA 2   ? UNP Q9Y3C8 ?   ?   'expression tag'      0   2 
1 9GLH SER AAA 108 ? UNP Q9Y3C8 THR 106 'engineered mutation' 106 3 
1 9GLH HIS AAA 162 ? UNP Q9Y3C8 GLN 160 conflict              160 4 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 SER A 2   ? SER A 13  ? SER AAA 0   SER AAA 11  1 ? 12 
HELX_P HELX_P2 AA2 ARG A 27  ? ALA A 51  ? ARG AAA 25  ALA AAA 49  1 ? 25 
HELX_P HELX_P3 AA3 VAL A 101 ? ASP A 105 ? VAL AAA 99  ASP AAA 103 5 ? 5  
HELX_P HELX_P4 AA4 HIS A 122 ? VAL A 131 ? HIS AAA 120 VAL AAA 129 1 ? 10 
HELX_P HELX_P5 AA5 GLY A 135 ? GLY A 143 ? GLY AAA 133 GLY AAA 141 1 ? 9  
HELX_P HELX_P6 AA6 GLY A 143 ? LYS A 158 ? GLY AAA 141 LYS AAA 156 1 ? 16 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_mon_prot_cis.pdbx_id 
_struct_mon_prot_cis.label_comp_id 
_struct_mon_prot_cis.label_seq_id 
_struct_mon_prot_cis.label_asym_id 
_struct_mon_prot_cis.label_alt_id 
_struct_mon_prot_cis.pdbx_PDB_ins_code 
_struct_mon_prot_cis.auth_comp_id 
_struct_mon_prot_cis.auth_seq_id 
_struct_mon_prot_cis.auth_asym_id 
_struct_mon_prot_cis.pdbx_label_comp_id_2 
_struct_mon_prot_cis.pdbx_label_seq_id_2 
_struct_mon_prot_cis.pdbx_label_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2 
_struct_mon_prot_cis.pdbx_auth_comp_id_2 
_struct_mon_prot_cis.pdbx_auth_seq_id_2 
_struct_mon_prot_cis.pdbx_auth_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_model_num 
_struct_mon_prot_cis.pdbx_omega_angle 
1 TYR 92  A . ? TYR 90  AAA PRO 93  A ? PRO 91  AAA 1 7.73  
2 VAL 131 A . ? VAL 129 AAA PRO 132 A ? PRO 130 AAA 1 -2.69 
# 
_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                   9GLH 
_pdbx_entry_details.has_ligand_of_interest     N 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_symm_contact.id 
_pdbx_validate_symm_contact.PDB_model_num 
_pdbx_validate_symm_contact.auth_atom_id_1 
_pdbx_validate_symm_contact.auth_asym_id_1 
_pdbx_validate_symm_contact.auth_comp_id_1 
_pdbx_validate_symm_contact.auth_seq_id_1 
_pdbx_validate_symm_contact.PDB_ins_code_1 
_pdbx_validate_symm_contact.label_alt_id_1 
_pdbx_validate_symm_contact.site_symmetry_1 
_pdbx_validate_symm_contact.auth_atom_id_2 
_pdbx_validate_symm_contact.auth_asym_id_2 
_pdbx_validate_symm_contact.auth_comp_id_2 
_pdbx_validate_symm_contact.auth_seq_id_2 
_pdbx_validate_symm_contact.PDB_ins_code_2 
_pdbx_validate_symm_contact.label_alt_id_2 
_pdbx_validate_symm_contact.site_symmetry_2 
_pdbx_validate_symm_contact.dist 
1 1 O   AAA HOH 392 ? ? 1_555 O   AAA HOH 392 ? ? 7_555 1.32 
2 1 O   AAA HOH 519 ? ? 1_555 O   AAA HOH 520 ? ? 7_555 1.84 
3 1 OE2 AAA GLU 44  ? ? 1_555 ND1 AAA HIS 120 ? ? 5_545 2.04 
# 
_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             83 
_pdbx_validate_rmsd_bond.PDB_ins_code_1            ? 
_pdbx_validate_rmsd_bond.label_alt_id_1            ? 
_pdbx_validate_rmsd_bond.auth_atom_id_2            OE1 
_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             83 
_pdbx_validate_rmsd_bond.PDB_ins_code_2            ? 
_pdbx_validate_rmsd_bond.label_alt_id_2            ? 
_pdbx_validate_rmsd_bond.bond_value                1.183 
_pdbx_validate_rmsd_bond.bond_target_value         1.252 
_pdbx_validate_rmsd_bond.bond_deviation            -0.069 
_pdbx_validate_rmsd_bond.bond_standard_deviation   0.011 
_pdbx_validate_rmsd_bond.linker_flag               N 
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.PDB_ins_code_1 
_pdbx_validate_rmsd_angle.label_alt_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.PDB_ins_code_2 
_pdbx_validate_rmsd_angle.label_alt_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.PDB_ins_code_3 
_pdbx_validate_rmsd_angle.label_alt_id_3 
_pdbx_validate_rmsd_angle.angle_value 
_pdbx_validate_rmsd_angle.angle_target_value 
_pdbx_validate_rmsd_angle.angle_deviation 
_pdbx_validate_rmsd_angle.angle_standard_deviation 
_pdbx_validate_rmsd_angle.linker_flag 
1 1 NE AAA ARG 23 ? ? CZ AAA ARG 23 ? ? NH2 AAA ARG 23 ? ? 116.26 120.30 -4.04 0.50 N 
2 1 NE AAA ARG 64 ? ? CZ AAA ARG 64 ? ? NH2 AAA ARG 64 ? ? 117.02 120.30 -3.28 0.50 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  ? ? -134.34 -39.74  
2 1 ARG AAA 25  ? ? 57.77   -129.23 
3 1 LEU AAA 75  ? ? 74.00   -10.26  
4 1 LYS AAA 108 ? ? -94.99  57.32   
# 
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 378 ? C HOH . 
2 1 AAA HOH 439 ? C HOH . 
3 1 AAA HOH 518 ? C HOH . 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 AAA GLY -1  ? A GLY 1   
2 1 Y 1 AAA CYS 165 ? A CYS 167 
3 1 Y 1 AAA ASN 166 ? A ASN 168 
4 1 Y 1 AAA GLN 167 ? A GLN 169 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
GLN N    N N N 88  
GLN CA   C N S 89  
GLN C    C N N 90  
GLN O    O N N 91  
GLN CB   C N N 92  
GLN CG   C N N 93  
GLN CD   C N N 94  
GLN OE1  O N N 95  
GLN NE2  N N N 96  
GLN OXT  O N N 97  
GLN H    H N N 98  
GLN H2   H N N 99  
GLN HA   H N N 100 
GLN HB2  H N N 101 
GLN HB3  H N N 102 
GLN HG2  H N N 103 
GLN HG3  H N N 104 
GLN HE21 H N N 105 
GLN HE22 H N N 106 
GLN HXT  H N N 107 
GLU N    N N N 108 
GLU CA   C N S 109 
GLU C    C N N 110 
GLU O    O N N 111 
GLU CB   C N N 112 
GLU CG   C N N 113 
GLU CD   C N N 114 
GLU OE1  O N N 115 
GLU OE2  O N N 116 
GLU OXT  O N N 117 
GLU H    H N N 118 
GLU H2   H N N 119 
GLU HA   H N N 120 
GLU HB2  H N N 121 
GLU HB3  H N N 122 
GLU HG2  H N N 123 
GLU HG3  H N N 124 
GLU HE2  H N N 125 
GLU HXT  H N N 126 
GLY N    N N N 127 
GLY CA   C N N 128 
GLY C    C N N 129 
GLY O    O N N 130 
GLY OXT  O N N 131 
GLY H    H N N 132 
GLY H2   H N N 133 
GLY HA2  H N N 134 
GLY HA3  H N N 135 
GLY HXT  H N N 136 
HIS N    N N N 137 
HIS CA   C N S 138 
HIS C    C N N 139 
HIS O    O N N 140 
HIS CB   C N N 141 
HIS CG   C Y N 142 
HIS ND1  N Y N 143 
HIS CD2  C Y N 144 
HIS CE1  C Y N 145 
HIS NE2  N Y N 146 
HIS OXT  O N N 147 
HIS H    H N N 148 
HIS H2   H N N 149 
HIS HA   H N N 150 
HIS HB2  H N N 151 
HIS HB3  H N N 152 
HIS HD1  H N N 153 
HIS HD2  H N N 154 
HIS HE1  H N N 155 
HIS HE2  H N N 156 
HIS HXT  H N N 157 
HOH O    O N N 158 
HOH H1   H N N 159 
HOH H2   H N N 160 
ILE N    N N N 161 
ILE CA   C N S 162 
ILE C    C N N 163 
ILE O    O N N 164 
ILE CB   C N S 165 
ILE CG1  C N N 166 
ILE CG2  C N N 167 
ILE CD1  C N N 168 
ILE OXT  O N N 169 
ILE H    H N N 170 
ILE H2   H N N 171 
ILE HA   H N N 172 
ILE HB   H N N 173 
ILE HG12 H N N 174 
ILE HG13 H N N 175 
ILE HG21 H N N 176 
ILE HG22 H N N 177 
ILE HG23 H N N 178 
ILE HD11 H N N 179 
ILE HD12 H N N 180 
ILE HD13 H N N 181 
ILE HXT  H N N 182 
LEU N    N N N 183 
LEU CA   C N S 184 
LEU C    C N N 185 
LEU O    O N N 186 
LEU CB   C N N 187 
LEU CG   C N N 188 
LEU CD1  C N N 189 
LEU CD2  C N N 190 
LEU OXT  O N N 191 
LEU H    H N N 192 
LEU H2   H N N 193 
LEU HA   H N N 194 
LEU HB2  H N N 195 
LEU HB3  H N N 196 
LEU HG   H N N 197 
LEU HD11 H N N 198 
LEU HD12 H N N 199 
LEU HD13 H N N 200 
LEU HD21 H N N 201 
LEU HD22 H N N 202 
LEU HD23 H N N 203 
LEU HXT  H N N 204 
LYS N    N N N 205 
LYS CA   C N S 206 
LYS C    C N N 207 
LYS O    O N N 208 
LYS CB   C N N 209 
LYS CG   C N N 210 
LYS CD   C N N 211 
LYS CE   C N N 212 
LYS NZ   N N N 213 
LYS OXT  O N N 214 
LYS H    H N N 215 
LYS H2   H N N 216 
LYS HA   H N N 217 
LYS HB2  H N N 218 
LYS HB3  H N N 219 
LYS HG2  H N N 220 
LYS HG3  H N N 221 
LYS HD2  H N N 222 
LYS HD3  H N N 223 
LYS HE2  H N N 224 
LYS HE3  H N N 225 
LYS HZ1  H N N 226 
LYS HZ2  H N N 227 
LYS HZ3  H N N 228 
LYS HXT  H N N 229 
MET N    N N N 230 
MET CA   C N S 231 
MET C    C N N 232 
MET O    O N N 233 
MET CB   C N N 234 
MET CG   C N N 235 
MET SD   S N N 236 
MET CE   C N N 237 
MET OXT  O N N 238 
MET H    H N N 239 
MET H2   H N N 240 
MET HA   H N N 241 
MET HB2  H N N 242 
MET HB3  H N N 243 
MET HG2  H N N 244 
MET HG3  H N N 245 
MET HE1  H N N 246 
MET HE2  H N N 247 
MET HE3  H N N 248 
MET HXT  H N N 249 
PHE N    N N N 250 
PHE CA   C N S 251 
PHE C    C N N 252 
PHE O    O N N 253 
PHE CB   C N N 254 
PHE CG   C Y N 255 
PHE CD1  C Y N 256 
PHE CD2  C Y N 257 
PHE CE1  C Y N 258 
PHE CE2  C Y N 259 
PHE CZ   C Y N 260 
PHE OXT  O N N 261 
PHE H    H N N 262 
PHE H2   H N N 263 
PHE HA   H N N 264 
PHE HB2  H N N 265 
PHE HB3  H N N 266 
PHE HD1  H N N 267 
PHE HD2  H N N 268 
PHE HE1  H N N 269 
PHE HE2  H N N 270 
PHE HZ   H N N 271 
PHE HXT  H N N 272 
PRO N    N N N 273 
PRO CA   C N S 274 
PRO C    C N N 275 
PRO O    O N N 276 
PRO CB   C N N 277 
PRO CG   C N N 278 
PRO CD   C N N 279 
PRO OXT  O N N 280 
PRO H    H N N 281 
PRO HA   H N N 282 
PRO HB2  H N N 283 
PRO HB3  H N N 284 
PRO HG2  H N N 285 
PRO HG3  H N N 286 
PRO HD2  H N N 287 
PRO HD3  H N N 288 
PRO HXT  H N N 289 
SER N    N N N 290 
SER CA   C N S 291 
SER C    C N N 292 
SER O    O N N 293 
SER CB   C N N 294 
SER OG   O N N 295 
SER OXT  O N N 296 
SER H    H N N 297 
SER H2   H N N 298 
SER HA   H N N 299 
SER HB2  H N N 300 
SER HB3  H N N 301 
SER HG   H N N 302 
SER HXT  H N N 303 
SO4 S    S N N 304 
SO4 O1   O N N 305 
SO4 O2   O N N 306 
SO4 O3   O N N 307 
SO4 O4   O N N 308 
THR N    N N N 309 
THR CA   C N S 310 
THR C    C N N 311 
THR O    O N N 312 
THR CB   C N R 313 
THR OG1  O N N 314 
THR CG2  C N N 315 
THR OXT  O N N 316 
THR H    H N N 317 
THR H2   H N N 318 
THR HA   H N N 319 
THR HB   H N N 320 
THR HG1  H N N 321 
THR HG21 H N N 322 
THR HG22 H N N 323 
THR HG23 H N N 324 
THR HXT  H N N 325 
TRP N    N N N 326 
TRP CA   C N S 327 
TRP C    C N N 328 
TRP O    O N N 329 
TRP CB   C N N 330 
TRP CG   C Y N 331 
TRP CD1  C Y N 332 
TRP CD2  C Y N 333 
TRP NE1  N Y N 334 
TRP CE2  C Y N 335 
TRP CE3  C Y N 336 
TRP CZ2  C Y N 337 
TRP CZ3  C Y N 338 
TRP CH2  C Y N 339 
TRP OXT  O N N 340 
TRP H    H N N 341 
TRP H2   H N N 342 
TRP HA   H N N 343 
TRP HB2  H N N 344 
TRP HB3  H N N 345 
TRP HD1  H N N 346 
TRP HE1  H N N 347 
TRP HE3  H N N 348 
TRP HZ2  H N N 349 
TRP HZ3  H N N 350 
TRP HH2  H N N 351 
TRP HXT  H N N 352 
TYR N    N N N 353 
TYR CA   C N S 354 
TYR C    C N N 355 
TYR O    O N N 356 
TYR CB   C N N 357 
TYR CG   C Y N 358 
TYR CD1  C Y N 359 
TYR CD2  C Y N 360 
TYR CE1  C Y N 361 
TYR CE2  C Y N 362 
TYR CZ   C Y N 363 
TYR OH   O N N 364 
TYR OXT  O N N 365 
TYR H    H N N 366 
TYR H2   H N N 367 
TYR HA   H N N 368 
TYR HB2  H N N 369 
TYR HB3  H N N 370 
TYR HD1  H N N 371 
TYR HD2  H N N 372 
TYR HE1  H N N 373 
TYR HE2  H N N 374 
TYR HH   H N N 375 
TYR HXT  H N N 376 
VAL N    N N N 377 
VAL CA   C N S 378 
VAL C    C N N 379 
VAL O    O N N 380 
VAL CB   C N N 381 
VAL CG1  C N N 382 
VAL CG2  C N N 383 
VAL OXT  O N N 384 
VAL H    H N N 385 
VAL H2   H N N 386 
VAL HA   H N N 387 
VAL HB   H N N 388 
VAL HG11 H N N 389 
VAL HG12 H N N 390 
VAL HG13 H N N 391 
VAL HG21 H N N 392 
VAL HG22 H N N 393 
VAL HG23 H N N 394 
VAL HXT  H N N 395 
# 
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 
SO4 S   O1   doub N N 290 
SO4 S   O2   doub N N 291 
SO4 S   O3   sing N N 292 
SO4 S   O4   sing N N 293 
THR N   CA   sing N N 294 
THR N   H    sing N N 295 
THR N   H2   sing N N 296 
THR CA  C    sing N N 297 
THR CA  CB   sing N N 298 
THR CA  HA   sing N N 299 
THR C   O    doub N N 300 
THR C   OXT  sing N N 301 
THR CB  OG1  sing N N 302 
THR CB  CG2  sing N N 303 
THR CB  HB   sing N N 304 
THR OG1 HG1  sing N N 305 
THR CG2 HG21 sing N N 306 
THR CG2 HG22 sing N N 307 
THR CG2 HG23 sing N N 308 
THR OXT HXT  sing N N 309 
TRP N   CA   sing N N 310 
TRP N   H    sing N N 311 
TRP N   H2   sing N N 312 
TRP CA  C    sing N N 313 
TRP CA  CB   sing N N 314 
TRP CA  HA   sing N N 315 
TRP C   O    doub N N 316 
TRP C   OXT  sing N N 317 
TRP CB  CG   sing N N 318 
TRP CB  HB2  sing N N 319 
TRP CB  HB3  sing N N 320 
TRP CG  CD1  doub Y N 321 
TRP CG  CD2  sing Y N 322 
TRP CD1 NE1  sing Y N 323 
TRP CD1 HD1  sing N N 324 
TRP CD2 CE2  doub Y N 325 
TRP CD2 CE3  sing Y N 326 
TRP NE1 CE2  sing Y N 327 
TRP NE1 HE1  sing N N 328 
TRP CE2 CZ2  sing Y N 329 
TRP CE3 CZ3  doub Y N 330 
TRP CE3 HE3  sing N N 331 
TRP CZ2 CH2  doub Y N 332 
TRP CZ2 HZ2  sing N N 333 
TRP CZ3 CH2  sing Y N 334 
TRP CZ3 HZ3  sing N N 335 
TRP CH2 HH2  sing N N 336 
TRP OXT HXT  sing N N 337 
TYR N   CA   sing N N 338 
TYR N   H    sing N N 339 
TYR N   H2   sing N N 340 
TYR CA  C    sing N N 341 
TYR CA  CB   sing N N 342 
TYR CA  HA   sing N N 343 
TYR C   O    doub N N 344 
TYR C   OXT  sing N N 345 
TYR CB  CG   sing N N 346 
TYR CB  HB2  sing N N 347 
TYR CB  HB3  sing N N 348 
TYR CG  CD1  doub Y N 349 
TYR CG  CD2  sing Y N 350 
TYR CD1 CE1  sing Y N 351 
TYR CD1 HD1  sing N N 352 
TYR CD2 CE2  doub Y N 353 
TYR CD2 HD2  sing N N 354 
TYR CE1 CZ   doub Y N 355 
TYR CE1 HE1  sing N N 356 
TYR CE2 CZ   sing Y N 357 
TYR CE2 HE2  sing N N 358 
TYR CZ  OH   sing N N 359 
TYR OH  HH   sing N N 360 
TYR OXT HXT  sing N N 361 
VAL N   CA   sing N N 362 
VAL N   H    sing N N 363 
VAL N   H2   sing N N 364 
VAL CA  C    sing N N 365 
VAL CA  CB   sing N N 366 
VAL CA  HA   sing N N 367 
VAL C   O    doub N N 368 
VAL C   OXT  sing N N 369 
VAL CB  CG1  sing N N 370 
VAL CB  CG2  sing N N 371 
VAL CB  HB   sing N N 372 
VAL CG1 HG11 sing N N 373 
VAL CG1 HG12 sing N N 374 
VAL CG1 HG13 sing N N 375 
VAL CG2 HG21 sing N N 376 
VAL CG2 HG22 sing N N 377 
VAL CG2 HG23 sing N N 378 
VAL OXT HXT  sing N N 379 
# 
_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                    9GLH 
_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]   0.021204 
_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]   0.021204 
_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]   0.006963 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.pdbx_scat_Z 
_atom_type.pdbx_N_electrons 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
C 6  6  2.310  20.844 1.020 10.208 1.589 0.569  0.865 51.651 0.216   
H 1  1  0.493  10.511 0.323 26.126 0.140 3.142  0.041 57.800 0.003   
N 7  7  12.222 0.006  3.135 9.893  2.014 28.997 1.167 0.583  -11.538 
O 8  8  3.049  13.277 2.287 5.701  1.546 0.324  0.867 32.909 0.251   
S 16 16 6.905  1.468  5.203 22.215 1.438 0.254  1.586 56.172 1.018   
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
_atom_site.calc_flag 
ATOM   1    N N   . SER A 1 2   ? 23.111  24.599  5.692  1.000 29.651 0 0   SER AAA N   1 ? 
ATOM   2    C CA  . SER A 1 2   ? 21.635  24.671  5.900  1.000 22.412 0 0   SER AAA CA  1 ? 
ATOM   3    C C   . SER A 1 2   ? 21.287  24.734  7.401  1.000 18.928 0 0   SER AAA C   1 ? 
ATOM   4    O O   . SER A 1 2   ? 21.470  23.670  8.171  1.000 16.623 0 0   SER AAA O   1 ? 
ATOM   5    C CB  . SER A 1 2   ? 20.931  23.493  5.266  1.000 27.368 0 0   SER AAA CB  1 ? 
ATOM   6    O OG  . SER A 1 2   ? 19.549  23.465  5.586  1.000 19.899 0 0   SER AAA OG  1 ? 
ATOM   7    N N   . MET A 1 3   ? 20.723  25.869  7.814  1.000 16.579 0 1   MET AAA N   1 ? 
ATOM   8    C CA  . MET A 1 3   ? 20.112  26.040  9.155  1.000 14.622 0 1   MET AAA CA  1 ? 
ATOM   9    C C   . MET A 1 3   ? 18.973  25.046  9.306  1.000 12.555 0 1   MET AAA C   1 ? 
ATOM   10   O O   . MET A 1 3   ? 18.903  24.487  10.375 1.000 12.722 0 1   MET AAA O   1 ? 
ATOM   11   C CB  . MET A 1 3   ? 19.588  27.444  9.505  1.000 14.783 0 1   MET AAA CB  1 ? 
ATOM   12   C CG  . MET A 1 3   ? 20.657  28.467  9.856  1.000 14.859 0 1   MET AAA CG  1 ? 
ATOM   13   S SD  . MET A 1 3   ? 20.007  29.990  10.549 1.000 15.267 0 1   MET AAA SD  1 ? 
ATOM   14   C CE  . MET A 1 3   ? 19.596  29.486  12.200 1.000 17.910 0 1   MET AAA CE  1 ? 
ATOM   15   N N   . ALA A 1 4   ? 18.123  24.860  8.307  1.000 13.872 0 2   ALA AAA N   1 ? 
ATOM   16   C CA  . ALA A 1 4   ? 16.973  23.948  8.470  1.000 14.085 0 2   ALA AAA CA  1 ? 
ATOM   17   C C   . ALA A 1 4   ? 17.484  22.521  8.714  1.000 13.030 0 2   ALA AAA C   1 ? 
ATOM   18   O O   . ALA A 1 4   ? 16.946  21.841  9.555  1.000 12.573 0 2   ALA AAA O   1 ? 
ATOM   19   C CB  . ALA A 1 4   ? 16.085  24.009  7.244  1.000 15.413 0 2   ALA AAA CB  1 ? 
ATOM   20   N N   . ASP A 1 5   ? 18.504  22.082  7.974  1.000 12.651 0 3   ASP AAA N   1 ? 
ATOM   21   C CA  . ASP A 1 5   ? 18.956  20.704  8.139  1.000 13.330 0 3   ASP AAA CA  1 ? 
ATOM   22   C C   . ASP A 1 5   ? 19.538  20.493  9.522  1.000 11.765 0 3   ASP AAA C   1 ? 
ATOM   23   O O   . ASP A 1 5   ? 19.284  19.444  10.151 1.000 12.320 0 3   ASP AAA O   1 ? 
ATOM   24   C CB  . ASP A 1 5   ? 19.964  20.367  7.055  1.000 14.956 0 3   ASP AAA CB  1 ? 
ATOM   25   C CG  . ASP A 1 5   ? 19.335  20.173  5.680  1.000 19.063 0 3   ASP AAA CG  1 ? 
ATOM   26   O OD1 . ASP A 1 5   ? 18.138  20.244  5.548  1.000 19.448 0 3   ASP AAA OD1 1 ? 
ATOM   27   O OD2 . ASP A 1 5   ? 20.125  19.939  4.739  1.000 25.041 0 3   ASP AAA OD2 1 ? 
ATOM   28   N N   . GLU A 1 6   ? 20.327  21.426  10.008 1.000 11.425 0 4   GLU AAA N   1 ? 
ATOM   29   C CA  . GLU A 1 6   ? 20.911  21.298  11.355 1.000 10.975 0 4   GLU AAA CA  1 ? 
ATOM   30   C C   . GLU A 1 6   ? 19.841  21.358  12.439 1.000 10.359 0 4   GLU AAA C   1 ? 
ATOM   31   O O   . GLU A 1 6   ? 19.921  20.584  13.413 1.000 10.241 0 4   GLU AAA O   1 ? 
ATOM   32   C CB  . GLU A 1 6   ? 22.005  22.337  11.583 1.000 13.098 0 4   GLU AAA CB  1 ? 
ATOM   33   C CG  . GLU A 1 6   ? 22.721  22.158  12.902 1.000 13.159 0 4   GLU AAA CG  1 ? 
ATOM   34   C CD  . GLU A 1 6   ? 23.507  20.868  13.133 1.000 14.783 0 4   GLU AAA CD  1 ? 
ATOM   35   O OE1 . GLU A 1 6   ? 23.722  20.118  12.150 1.000 16.609 0 4   GLU AAA OE1 1 ? 
ATOM   36   O OE2 . GLU A 1 6   ? 23.856  20.588  14.267 1.000 16.523 0 4   GLU AAA OE2 1 ? 
ATOM   37   N N   . ALA A 1 7   ? 18.890  22.275  12.305 1.000 10.360 0 5   ALA AAA N   1 ? 
ATOM   38   C CA  . ALA A 1 7   ? 17.825  22.347  13.305 1.000 9.847  0 5   ALA AAA CA  1 ? 
ATOM   39   C C   . ALA A 1 7   ? 17.035  21.027  13.393 1.000 9.821  0 5   ALA AAA C   1 ? 
ATOM   40   O O   . ALA A 1 7   ? 16.674  20.596  14.487 1.000 10.539 0 5   ALA AAA O   1 ? 
ATOM   41   C CB  . ALA A 1 7   ? 16.941  23.517  13.010 1.000 10.504 0 5   ALA AAA CB  1 ? 
ATOM   42   N N   . THR A 1 8   ? 16.750  20.463  12.220 1.000 10.190 0 6   THR AAA N   1 ? 
ATOM   43   C CA  . THR A 1 8   ? 16.030  19.163  12.209 1.000 10.234 0 6   THR AAA CA  1 ? 
ATOM   44   C C   . THR A 1 8   ? 16.848  18.092  12.937 1.000 9.993  0 6   THR AAA C   1 ? 
ATOM   45   O O   . THR A 1 8   ? 16.336  17.381  13.782 1.000 10.616 0 6   THR AAA O   1 ? 
ATOM   46   C CB  . THR A 1 8   ? 15.715  18.760  10.764 1.000 11.094 0 6   THR AAA CB  1 ? 
ATOM   47   O OG1 . THR A 1 8   ? 14.960  19.799  10.116 1.000 13.083 0 6   THR AAA OG1 1 ? 
ATOM   48   C CG2 . THR A 1 8   ? 15.008  17.419  10.689 1.000 12.971 0 6   THR AAA CG2 1 ? 
ATOM   49   N N   A ARG A 1 9   ? 18.124  17.994  12.563 0.500 10.266 0 7   ARG AAA N   1 ? 
ATOM   50   N N   B ARG A 1 9   ? 18.115  17.999  12.569 0.500 10.162 0 7   ARG AAA N   1 ? 
ATOM   51   C CA  A ARG A 1 9   ? 19.024  16.975  13.159 0.500 10.927 0 7   ARG AAA CA  1 ? 
ATOM   52   C CA  B ARG A 1 9   ? 18.998  16.975  13.160 0.500 10.708 0 7   ARG AAA CA  1 ? 
ATOM   53   C C   A ARG A 1 9   ? 19.108  17.155  14.678 0.500 10.369 0 7   ARG AAA C   1 ? 
ATOM   54   C C   B ARG A 1 9   ? 19.111  17.155  14.678 0.500 10.279 0 7   ARG AAA C   1 ? 
ATOM   55   O O   A ARG A 1 9   ? 19.077  16.172  15.421 0.500 10.930 0 7   ARG AAA O   1 ? 
ATOM   56   O O   B ARG A 1 9   ? 19.080  16.172  15.423 0.500 10.895 0 7   ARG AAA O   1 ? 
ATOM   57   C CB  A ARG A 1 9   ? 20.459  17.066  12.604 0.500 12.660 0 7   ARG AAA CB  1 ? 
ATOM   58   C CB  B ARG A 1 9   ? 20.370  17.100  12.490 0.500 12.380 0 7   ARG AAA CB  1 ? 
ATOM   59   C CG  A ARG A 1 9   ? 20.675  16.479  11.219 0.500 13.724 0 7   ARG AAA CG  1 ? 
ATOM   60   C CG  B ARG A 1 9   ? 21.319  15.947  12.723 0.500 13.187 0 7   ARG AAA CG  1 ? 
ATOM   61   C CD  A ARG A 1 9   ? 22.155  16.374  10.817 0.500 14.321 0 7   ARG AAA CD  1 ? 
ATOM   62   C CD  B ARG A 1 9   ? 22.731  16.314  12.281 0.500 13.651 0 7   ARG AAA CD  1 ? 
ATOM   63   N NE  A ARG A 1 9   ? 22.789  17.679  10.669 0.500 15.731 0 7   ARG AAA NE  1 ? 
ATOM   64   N NE  B ARG A 1 9   ? 23.344  17.282  13.179 0.500 15.348 0 7   ARG AAA NE  1 ? 
ATOM   65   C CZ  A ARG A 1 9   ? 22.853  18.333  9.528  0.500 15.303 0 7   ARG AAA CZ  1 ? 
ATOM   66   C CZ  B ARG A 1 9   ? 23.817  17.013  14.372 0.500 15.997 0 7   ARG AAA CZ  1 ? 
ATOM   67   N NH1 A ARG A 1 9   ? 22.388  17.758  8.426  0.500 16.489 0 7   ARG AAA NH1 1 ? 
ATOM   68   N NH1 B ARG A 1 9   ? 23.861  15.758  14.800 0.500 16.994 0 7   ARG AAA NH1 1 ? 
ATOM   69   N NH2 A ARG A 1 9   ? 23.387  19.520  9.487  0.500 14.678 0 7   ARG AAA NH2 1 ? 
ATOM   70   N NH2 B ARG A 1 9   ? 24.288  18.003  15.121 0.500 17.053 0 7   ARG AAA NH2 1 ? 
ATOM   71   N N   . ARG A 1 10  ? 19.229  18.397  15.132 1.000 9.559  0 8   ARG AAA N   1 ? 
ATOM   72   C CA  . ARG A 1 10  ? 19.343  18.640  16.573 1.000 9.728  0 8   ARG AAA CA  1 ? 
ATOM   73   C C   . ARG A 1 10  ? 18.116  18.106  17.274 1.000 10.629 0 8   ARG AAA C   1 ? 
ATOM   74   O O   . ARG A 1 10  ? 18.237  17.574  18.386 1.000 13.156 0 8   ARG AAA O   1 ? 
ATOM   75   C CB  . ARG A 1 10  ? 19.554  20.125  16.860 1.000 9.715  0 8   ARG AAA CB  1 ? 
ATOM   76   C CG  . ARG A 1 10  ? 20.917  20.633  16.441 1.000 10.747 0 8   ARG AAA CG  1 ? 
ATOM   77   C CD  . ARG A 1 10  ? 21.987  20.384  17.495 1.000 11.164 0 8   ARG AAA CD  1 ? 
ATOM   78   N NE  . ARG A 1 10  ? 23.268  20.879  16.999 1.000 12.169 0 8   ARG AAA NE  1 ? 
ATOM   79   C CZ  . ARG A 1 10  ? 24.358  21.054  17.769 1.000 12.740 0 8   ARG AAA CZ  1 ? 
ATOM   80   N NH1 . ARG A 1 10  ? 24.326  20.724  19.046 1.000 13.956 0 8   ARG AAA NH1 1 ? 
ATOM   81   N NH2 . ARG A 1 10  ? 25.462  21.532  17.206 1.000 13.974 0 8   ARG AAA NH2 1 ? 
ATOM   82   N N   . VAL A 1 11  ? 16.945  18.284  16.721 1.000 10.347 0 9   VAL AAA N   1 ? 
ATOM   83   C CA  . VAL A 1 11  ? 15.708  17.811  17.375 1.000 11.890 0 9   VAL AAA CA  1 ? 
ATOM   84   C C   . VAL A 1 11  ? 15.582  16.302  17.263 1.000 12.689 0 9   VAL AAA C   1 ? 
ATOM   85   O O   . VAL A 1 11  ? 15.166  15.668  18.300 1.000 14.735 0 9   VAL AAA O   1 ? 
ATOM   86   C CB  . VAL A 1 11  ? 14.494  18.548  16.798 1.000 13.420 0 9   VAL AAA CB  1 ? 
ATOM   87   C CG1 . VAL A 1 11  ? 13.185  17.971  17.367 1.000 15.122 0 9   VAL AAA CG1 1 ? 
ATOM   88   C CG2 . VAL A 1 11  ? 14.577  20.043  17.076 1.000 13.691 0 9   VAL AAA CG2 1 ? 
ATOM   89   N N   . VAL A 1 12  ? 15.867  15.681  16.135 1.000 10.887 0 10  VAL AAA N   1 ? 
ATOM   90   C CA  . VAL A 1 12  ? 15.480  14.261  15.947 1.000 11.632 0 10  VAL AAA CA  1 ? 
ATOM   91   C C   . VAL A 1 12  ? 16.618  13.235  15.964 1.000 12.226 0 10  VAL AAA C   1 ? 
ATOM   92   O O   . VAL A 1 12  ? 16.382  12.035  15.764 1.000 12.969 0 10  VAL AAA O   1 ? 
ATOM   93   C CB  . VAL A 1 12  ? 14.585  14.025  14.732 1.000 12.571 0 10  VAL AAA CB  1 ? 
ATOM   94   C CG1 . VAL A 1 12  ? 13.345  14.896  14.808 1.000 14.652 0 10  VAL AAA CG1 1 ? 
ATOM   95   C CG2 . VAL A 1 12  ? 15.318  14.193  13.438 1.000 13.241 0 10  VAL AAA CG2 1 ? 
ATOM   96   N N   . SER A 1 13  ? 17.916  13.548  16.031 1.000 13.425 0 11  SER AAA N   1 ? 
ATOM   97   C CA  . SER A 1 13  ? 19.010  12.566  15.768 1.000 13.509 0 11  SER AAA CA  1 ? 
ATOM   98   C C   . SER A 1 13  ? 19.109  11.391  16.746 1.000 12.888 0 11  SER AAA C   1 ? 
ATOM   99   O O   . SER A 1 13  ? 19.775  10.396  16.376 1.000 14.910 0 11  SER AAA O   1 ? 
ATOM   100  C CB  . SER A 1 13  ? 20.337  13.279  15.680 1.000 16.446 0 11  SER AAA CB  1 ? 
ATOM   101  O OG  . SER A 1 13  ? 20.738  13.749  16.944 1.000 17.307 0 11  SER AAA OG  1 ? 
ATOM   102  N N   . GLU A 1 14  ? 18.501  11.404  17.941 1.000 12.162 0 12  GLU AAA N   1 ? 
ATOM   103  C CA  . GLU A 1 14  ? 18.435  10.243  18.860 1.000 12.187 0 12  GLU AAA CA  1 ? 
ATOM   104  C C   . GLU A 1 14  ? 17.102  9.488   18.788 1.000 10.580 0 12  GLU AAA C   1 ? 
ATOM   105  O O   . GLU A 1 14  ? 16.852  8.606   19.632 1.000 11.163 0 12  GLU AAA O   1 ? 
ATOM   106  C CB  . GLU A 1 14  ? 18.754  10.634  20.318 1.000 15.211 0 12  GLU AAA CB  1 ? 
ATOM   107  C CG  . GLU A 1 14  ? 20.171  11.245  20.430 1.000 18.341 0 12  GLU AAA CG  1 ? 
ATOM   108  C CD  . GLU A 1 14  ? 20.592  11.581  21.841 1.000 21.704 0 12  GLU AAA CD  1 ? 
ATOM   109  O OE1 . GLU A 1 14  ? 20.120  12.659  22.375 1.000 24.333 0 12  GLU AAA OE1 1 ? 
ATOM   110  O OE2 . GLU A 1 14  ? 21.407  10.807  22.383 1.000 28.102 0 12  GLU AAA OE2 1 ? 
ATOM   111  N N   . ILE A 1 15  ? 16.255  9.838   17.841 1.000 9.986  0 13  ILE AAA N   1 ? 
ATOM   112  C CA  . ILE A 1 15  ? 14.983  9.101   17.617 1.000 10.127 0 13  ILE AAA CA  1 ? 
ATOM   113  C C   . ILE A 1 15  ? 15.304  8.038   16.569 1.000 9.858  0 13  ILE AAA C   1 ? 
ATOM   114  O O   . ILE A 1 15  ? 15.816  8.341   15.479 1.000 10.341 0 13  ILE AAA O   1 ? 
ATOM   115  C CB  . ILE A 1 15  ? 13.855  10.028  17.157 1.000 10.686 0 13  ILE AAA CB  1 ? 
ATOM   116  C CG1 . ILE A 1 15  ? 13.587  11.124  18.191 1.000 11.594 0 13  ILE AAA CG1 1 ? 
ATOM   117  C CG2 . ILE A 1 15  ? 12.607  9.220   16.863 1.000 10.604 0 13  ILE AAA CG2 1 ? 
ATOM   118  C CD1 . ILE A 1 15  ? 12.545  12.138  17.761 1.000 12.455 0 13  ILE AAA CD1 1 ? 
ATOM   119  N N   . PRO A 1 16  ? 14.981  6.752   16.787 1.000 9.838  0 14  PRO AAA N   1 ? 
ATOM   120  C CA  . PRO A 1 16  ? 15.219  5.742   15.760 1.000 10.705 0 14  PRO AAA CA  1 ? 
ATOM   121  C C   . PRO A 1 16  ? 14.510  6.129   14.468 1.000 9.389  0 14  PRO AAA C   1 ? 
ATOM   122  O O   . PRO A 1 16  ? 13.331  6.503   14.445 1.000 9.669  0 14  PRO AAA O   1 ? 
ATOM   123  C CB  . PRO A 1 16  ? 14.656  4.470   16.405 1.000 10.479 0 14  PRO AAA CB  1 ? 
ATOM   124  C CG  . PRO A 1 16  ? 14.751  4.702   17.874 1.000 10.715 0 14  PRO AAA CG  1 ? 
ATOM   125  C CD  . PRO A 1 16  ? 14.462  6.179   18.044 1.000 10.234 0 14  PRO AAA CD  1 ? 
ATOM   126  N N   . VAL A 1 17  ? 15.212  5.948   13.358 1.000 10.046 0 15  VAL AAA N   1 ? 
ATOM   127  C CA  . VAL A 1 17  ? 14.693  6.193   12.013 1.000 10.838 0 15  VAL AAA CA  1 ? 
ATOM   128  C C   . VAL A 1 17  ? 13.806  5.011   11.587 1.000 9.857  0 15  VAL AAA C   1 ? 
ATOM   129  O O   . VAL A 1 17  ? 14.049  3.866   12.024 1.000 10.754 0 15  VAL AAA O   1 ? 
ATOM   130  C CB  . VAL A 1 17  ? 15.936  6.387   11.083 1.000 12.404 0 15  VAL AAA CB  1 ? 
ATOM   131  C CG1 . VAL A 1 17  ? 15.609  6.493   9.607  1.000 14.938 0 15  VAL AAA CG1 1 ? 
ATOM   132  C CG2 . VAL A 1 17  ? 16.715  7.585   11.522 1.000 12.878 0 15  VAL AAA CG2 1 ? 
ATOM   133  N N   . LEU A 1 18  ? 12.792  5.277   10.805 1.000 9.923  0 16  LEU AAA N   1 ? 
ATOM   134  C CA  . LEU A 1 18  ? 11.922  4.225   10.276 1.000 10.862 0 16  LEU AAA CA  1 ? 
ATOM   135  C C   . LEU A 1 18  ? 12.293  3.911   8.851  1.000 10.788 0 16  LEU AAA C   1 ? 
ATOM   136  O O   . LEU A 1 18  ? 13.095  4.606   8.204  1.000 11.248 0 16  LEU AAA O   1 ? 
ATOM   137  C CB  . LEU A 1 18  ? 10.466  4.623   10.420 1.000 10.552 0 16  LEU AAA CB  1 ? 
ATOM   138  C CG  . LEU A 1 18  ? 9.972   4.756   11.860 1.000 11.623 0 16  LEU AAA CG  1 ? 
ATOM   139  C CD1 . LEU A 1 18  ? 10.273  6.165   12.452 1.000 10.875 0 16  LEU AAA CD1 1 ? 
ATOM   140  C CD2 . LEU A 1 18  ? 8.516   4.495   11.989 1.000 11.068 0 16  LEU AAA CD2 1 ? 
ATOM   141  N N   . LYS A 1 19  ? 11.771  2.784   8.355  1.000 11.750 0 17  LYS AAA N   1 ? 
ATOM   142  C CA  . LYS A 1 19  ? 12.220  2.277   7.031  1.000 13.442 0 17  LYS AAA CA  1 ? 
ATOM   143  C C   . LYS A 1 19  ? 11.095  1.843   6.126  1.000 12.013 0 17  LYS AAA C   1 ? 
ATOM   144  O O   . LYS A 1 19  ? 11.185  2.067   4.902  1.000 13.143 0 17  LYS AAA O   1 ? 
ATOM   145  C CB  . LYS A 1 19  ? 13.170  1.106   7.188  1.000 16.971 0 17  LYS AAA CB  1 ? 
ATOM   146  C CG  . LYS A 1 19  ? 13.804  0.622   5.874  1.000 20.026 0 17  LYS AAA CG  1 ? 
ATOM   147  C CD  . LYS A 1 19  ? 14.025  -0.860  5.816  1.000 21.965 0 17  LYS AAA CD  1 ? 
ATOM   148  C CE  . LYS A 1 19  ? 12.735  -1.629  5.670  1.000 19.278 0 17  LYS AAA CE  1 ? 
ATOM   149  N NZ  . LYS A 1 19  ? 13.052  -3.046  5.284  1.000 19.880 0 17  LYS AAA NZ  1 ? 
ATOM   150  N N   . THR A 1 20  ? 10.053  1.188   6.622  1.000 11.212 0 18  THR AAA N   1 ? 
ATOM   151  C CA  . THR A 1 20  ? 9.140   0.483   5.725  1.000 11.149 0 18  THR AAA CA  1 ? 
ATOM   152  C C   . THR A 1 20  ? 8.106   1.439   5.116  1.000 11.293 0 18  THR AAA C   1 ? 
ATOM   153  O O   . THR A 1 20  ? 7.462   2.226   5.832  1.000 11.747 0 18  THR AAA O   1 ? 
ATOM   154  C CB  . THR A 1 20  ? 8.416   -0.637  6.492  1.000 11.043 0 18  THR AAA CB  1 ? 
ATOM   155  O OG1 . THR A 1 20  ? 9.399   -1.578  6.947  1.000 10.710 0 18  THR AAA OG1 1 ? 
ATOM   156  C CG2 . THR A 1 20  ? 7.386   -1.344  5.641  1.000 10.910 0 18  THR AAA CG2 1 ? 
ATOM   157  N N   . ASN A 1 21  ? 7.950   1.357   3.789  1.000 11.094 0 19  ASN AAA N   1 ? 
ATOM   158  C CA  . ASN A 1 21  ? 6.887   2.080   3.085  1.000 12.171 0 19  ASN AAA CA  1 ? 
ATOM   159  C C   . ASN A 1 21  ? 5.585   1.292   3.125  1.000 12.577 0 19  ASN AAA C   1 ? 
ATOM   160  O O   . ASN A 1 21  ? 5.351   0.419   2.204  1.000 14.857 0 19  ASN AAA O   1 ? 
ATOM   161  C CB  . ASN A 1 21  ? 7.249   2.297   1.603  1.000 12.211 0 19  ASN AAA CB  1 ? 
ATOM   162  C CG  . ASN A 1 21  ? 6.090   2.882   0.868  1.000 12.788 0 19  ASN AAA CG  1 ? 
ATOM   163  O OD1 . ASN A 1 21  ? 5.287   3.613   1.505  1.000 14.198 0 19  ASN AAA OD1 1 ? 
ATOM   164  N ND2 . ASN A 1 21  ? 5.898   2.523   -0.407 1.000 14.760 0 19  ASN AAA ND2 1 ? 
ATOM   165  N N   . ALA A 1 22  ? 4.802   1.452   4.186  1.000 10.951 0 20  ALA AAA N   1 ? 
ATOM   166  C CA  . ALA A 1 22  ? 3.531   0.737   4.324  1.000 11.518 0 20  ALA AAA CA  1 ? 
ATOM   167  C C   . ALA A 1 22  ? 2.565   1.619   5.080  1.000 10.800 0 20  ALA AAA C   1 ? 
ATOM   168  O O   . ALA A 1 22  ? 2.960   2.283   6.044  1.000 11.057 0 20  ALA AAA O   1 ? 
ATOM   169  C CB  . ALA A 1 22  ? 3.710   -0.553  5.051  1.000 12.762 0 20  ALA AAA CB  1 ? 
ATOM   170  N N   . GLY A 1 23  ? 1.313   1.563   4.657  1.000 11.489 0 21  GLY AAA N   1 ? 
ATOM   171  C CA  . GLY A 1 23  ? 0.193   2.157   5.345  1.000 11.917 0 21  GLY AAA CA  1 ? 
ATOM   172  C C   . GLY A 1 23  ? -0.812  1.110   5.796  1.000 11.100 0 21  GLY AAA C   1 ? 
ATOM   173  O O   . GLY A 1 23  ? -0.591  -0.089  5.687  1.000 11.456 0 21  GLY AAA O   1 ? 
ATOM   174  N N   . PRO A 1 24  ? -1.928  1.584   6.350  1.000 11.576 0 22  PRO AAA N   1 ? 
ATOM   175  C CA  . PRO A 1 24  ? -2.889  0.739   7.043  1.000 12.661 0 22  PRO AAA CA  1 ? 
ATOM   176  C C   . PRO A 1 24  ? -3.427  -0.469  6.288  1.000 13.626 0 22  PRO AAA C   1 ? 
ATOM   177  O O   . PRO A 1 24  ? -3.820  -1.464  6.929  1.000 15.614 0 22  PRO AAA O   1 ? 
ATOM   178  C CB  . PRO A 1 24  ? -4.099  1.662   7.282  1.000 15.434 0 22  PRO AAA CB  1 ? 
ATOM   179  C CG  . PRO A 1 24  ? -3.442  2.992   7.472  1.000 15.739 0 22  PRO AAA CG  1 ? 
ATOM   180  C CD  . PRO A 1 24  ? -2.231  3.001   6.567  1.000 12.256 0 22  PRO AAA CD  1 ? 
ATOM   181  N N   . ARG A 1 25  ? -3.449  -0.407  4.963  1.000 12.706 0 23  ARG AAA N   1 ? 
ATOM   182  C CA  . ARG A 1 25  ? -4.019  -1.523  4.159  1.000 14.330 0 23  ARG AAA CA  1 ? 
ATOM   183  C C   . ARG A 1 25  ? -2.965  -2.584  3.866  1.000 14.846 0 23  ARG AAA C   1 ? 
ATOM   184  O O   . ARG A 1 25  ? -3.287  -3.575  3.177  1.000 16.887 0 23  ARG AAA O   1 ? 
ATOM   185  C CB  . ARG A 1 25  ? -4.644  -0.970  2.880  1.000 15.287 0 23  ARG AAA CB  1 ? 
ATOM   186  C CG  . ARG A 1 25  ? -5.804  -0.028  3.154  1.000 17.546 0 23  ARG AAA CG  1 ? 
ATOM   187  C CD  . ARG A 1 25  ? -6.630  0.399   1.955  1.000 21.489 0 23  ARG AAA CD  1 ? 
ATOM   188  N NE  . ARG A 1 25  ? -5.858  0.571   0.770  1.000 29.273 0 23  ARG AAA NE  1 ? 
ATOM   189  C CZ  . ARG A 1 25  ? -6.278  1.130   -0.360 1.000 31.733 0 23  ARG AAA CZ  1 ? 
ATOM   190  N NH1 . ARG A 1 25  ? -7.498  1.681   -0.438 1.000 26.734 0 23  ARG AAA NH1 1 ? 
ATOM   191  N NH2 . ARG A 1 25  ? -5.413  1.137   -1.370 1.000 24.597 0 23  ARG AAA NH2 1 ? 
ATOM   192  N N   . ASP A 1 26  ? -1.718  -2.427  4.285  1.000 13.450 0 24  ASP AAA N   1 ? 
ATOM   193  C CA  . ASP A 1 26  ? -0.570  -3.163  3.716  1.000 13.960 0 24  ASP AAA CA  1 ? 
ATOM   194  C C   . ASP A 1 26  ? -0.137  -4.439  4.452  1.000 14.120 0 24  ASP AAA C   1 ? 
ATOM   195  O O   . ASP A 1 26  ? 0.951   -4.946  4.248  1.000 15.118 0 24  ASP AAA O   1 ? 
ATOM   196  C CB  . ASP A 1 26  ? 0.606   -2.236  3.429  1.000 15.405 0 24  ASP AAA CB  1 ? 
ATOM   197  C CG  . ASP A 1 26  ? 0.261   -1.146  2.423  1.000 18.370 0 24  ASP AAA CG  1 ? 
ATOM   198  O OD1 . ASP A 1 26  ? -0.803  -1.268  1.715  1.000 26.460 0 24  ASP AAA OD1 1 ? 
ATOM   199  O OD2 . ASP A 1 26  ? 0.923   -0.135  2.365  1.000 16.712 0 24  ASP AAA OD2 1 ? 
ATOM   200  N N   . ARG A 1 27  ? -1.028  -4.959  5.300  1.000 13.468 0 25  ARG AAA N   1 ? 
ATOM   201  C CA  . ARG A 1 27  ? -0.900  -6.346  5.815  1.000 15.230 0 25  ARG AAA CA  1 ? 
ATOM   202  C C   . ARG A 1 27  ? 0.442   -6.550  6.538  1.000 14.976 0 25  ARG AAA C   1 ? 
ATOM   203  O O   . ARG A 1 27  ? 0.730   -5.798  7.503  1.000 13.747 0 25  ARG AAA O   1 ? 
ATOM   204  C CB  . ARG A 1 27  ? -1.220  -7.341  4.674  1.000 18.211 0 25  ARG AAA CB  1 ? 
ATOM   205  C CG  . ARG A 1 27  ? -2.605  -7.121  4.084  1.000 21.343 0 25  ARG AAA CG  1 ? 
ATOM   206  N N   . GLU A 1 28  ? 1.222   -7.576  6.226  1.000 14.186 0 26  GLU AAA N   1 ? 
ATOM   207  C CA  . GLU A 1 28  ? 2.429   -7.878  6.977  1.000 13.993 0 26  GLU AAA CA  1 ? 
ATOM   208  C C   . GLU A 1 28  ? 3.383   -6.675  6.963  1.000 11.695 0 26  GLU AAA C   1 ? 
ATOM   209  O O   . GLU A 1 28  ? 4.171   -6.525  7.886  1.000 12.028 0 26  GLU AAA O   1 ? 
ATOM   210  C CB  . GLU A 1 28  ? 3.115   -9.134  6.443  1.000 15.841 0 26  GLU AAA CB  1 ? 
ATOM   211  C CG  . GLU A 1 28  ? 3.518   -9.073  4.971  1.000 18.744 0 26  GLU AAA CG  1 ? 
ATOM   212  C CD  . GLU A 1 28  ? 2.502   -9.046  3.840  1.000 22.398 0 26  GLU AAA CD  1 ? 
ATOM   213  O OE1 . GLU A 1 28  ? 1.363   -9.505  4.069  1.000 24.301 0 26  GLU AAA OE1 1 ? 
ATOM   214  O OE2 . GLU A 1 28  ? 2.918   -8.659  2.717  1.000 28.097 0 26  GLU AAA OE2 1 ? 
ATOM   215  N N   . LEU A 1 29  ? 3.383   -5.940  5.853  1.000 11.786 0 27  LEU AAA N   1 ? 
ATOM   216  C CA  . LEU A 1 29  ? 4.279   -4.743  5.775  1.000 10.662 0 27  LEU AAA CA  1 ? 
ATOM   217  C C   . LEU A 1 29  ? 3.805   -3.663  6.758  1.000 11.042 0 27  LEU AAA C   1 ? 
ATOM   218  O O   . LEU A 1 29  ? 4.652   -2.948  7.289  1.000 10.590 0 27  LEU AAA O   1 ? 
ATOM   219  C CB  . LEU A 1 29  ? 4.375   -4.218  4.342  1.000 11.133 0 27  LEU AAA CB  1 ? 
ATOM   220  C CG  . LEU A 1 29  ? 5.061   -5.161  3.358  1.000 12.948 0 27  LEU AAA CG  1 ? 
ATOM   221  C CD1 . LEU A 1 29  ? 4.924   -4.692  1.934  1.000 14.915 0 27  LEU AAA CD1 1 ? 
ATOM   222  C CD2 . LEU A 1 29  ? 6.502   -5.360  3.702  1.000 16.990 0 27  LEU AAA CD2 1 ? 
ATOM   223  N N   . TRP A 1 30  ? 2.503   -3.528  6.936  1.000 10.585 0 28  TRP AAA N   1 ? 
ATOM   224  C CA  . TRP A 1 30  ? 1.984   -2.587  7.963  1.000 10.650 0 28  TRP AAA CA  1 ? 
ATOM   225  C C   . TRP A 1 30  ? 2.324   -3.029  9.360  1.000 10.286 0 28  TRP AAA C   1 ? 
ATOM   226  O O   . TRP A 1 30  ? 2.716   -2.198  10.188 1.000 10.236 0 28  TRP AAA O   1 ? 
ATOM   227  C CB  . TRP A 1 30  ? 0.489   -2.395  7.765  1.000 11.165 0 28  TRP AAA CB  1 ? 
ATOM   228  C CG  . TRP A 1 30  ? -0.149  -1.472  8.756  1.000 10.797 0 28  TRP AAA CG  1 ? 
ATOM   229  C CD1 . TRP A 1 30  ? -1.192  -1.765  9.582  1.000 12.467 0 28  TRP AAA CD1 1 ? 
ATOM   230  C CD2 . TRP A 1 30  ? 0.189   -0.100  9.027  1.000 10.744 0 28  TRP AAA CD2 1 ? 
ATOM   231  N NE1 . TRP A 1 30  ? -1.534  -0.675  10.309 1.000 12.662 0 28  TRP AAA NE1 1 ? 
ATOM   232  C CE2 . TRP A 1 30  ? -0.688  0.355   10.026 1.000 11.361 0 28  TRP AAA CE2 1 ? 
ATOM   233  C CE3 . TRP A 1 30  ? 1.143   0.793   8.557  1.000 11.345 0 28  TRP AAA CE3 1 ? 
ATOM   234  C CZ2 . TRP A 1 30  ? -0.622  1.661   10.540 1.000 12.090 0 28  TRP AAA CZ2 1 ? 
ATOM   235  C CZ3 . TRP A 1 30  ? 1.227   2.082   9.078  1.000 10.948 0 28  TRP AAA CZ3 1 ? 
ATOM   236  C CH2 . TRP A 1 30  ? 0.357   2.484   10.093 1.000 11.642 0 28  TRP AAA CH2 1 ? 
ATOM   237  N N   . VAL A 1 31  ? 2.230   -4.340  9.641  1.000 10.237 0 29  VAL AAA N   1 ? 
ATOM   238  C CA  . VAL A 1 31  ? 2.622   -4.831  10.976 1.000 11.048 0 29  VAL AAA CA  1 ? 
ATOM   239  C C   . VAL A 1 31  ? 4.095   -4.478  11.212 1.000 10.278 0 29  VAL AAA C   1 ? 
ATOM   240  O O   . VAL A 1 31  ? 4.474   -4.045  12.343 1.000 10.465 0 29  VAL AAA O   1 ? 
ATOM   241  C CB  . VAL A 1 31  ? 2.317   -6.323  11.108 1.000 11.779 0 29  VAL AAA CB  1 ? 
ATOM   242  C CG1 . VAL A 1 31  ? 2.933   -6.870  12.381 1.000 13.609 0 29  VAL AAA CG1 1 ? 
ATOM   243  C CG2 . VAL A 1 31  ? 0.804   -6.557  11.034 1.000 15.583 0 29  VAL AAA CG2 1 ? 
ATOM   244  N N   . GLN A 1 32  ? 4.946   -4.656  10.197 1.000 9.846  0 30  GLN AAA N   1 ? 
ATOM   245  C CA  . GLN A 1 32  ? 6.365   -4.293  10.324 1.000 9.268  0 30  GLN AAA CA  1 ? 
ATOM   246  C C   . GLN A 1 32  ? 6.523   -2.780  10.542 1.000 9.528  0 30  GLN AAA C   1 ? 
ATOM   247  O O   . GLN A 1 32  ? 7.314   -2.386  11.398 1.000 9.715  0 30  GLN AAA O   1 ? 
ATOM   248  C CB  . GLN A 1 32  ? 7.114   -4.791  9.095  1.000 9.885  0 30  GLN AAA CB  1 ? 
ATOM   249  C CG  . GLN A 1 32  ? 8.546   -4.313  9.014  1.000 9.947  0 30  GLN AAA CG  1 ? 
ATOM   250  C CD  . GLN A 1 32  ? 9.390   -4.740  10.183 1.000 9.958  0 30  GLN AAA CD  1 ? 
ATOM   251  O OE1 . GLN A 1 32  ? 9.263   -5.897  10.673 1.000 11.202 0 30  GLN AAA OE1 1 ? 
ATOM   252  N NE2 . GLN A 1 32  ? 10.321  -3.916  10.590 1.000 10.569 0 30  GLN AAA NE2 1 ? 
ATOM   253  N N   . ARG A 1 33  ? 5.854   -1.965  9.747  1.000 9.133  0 31  ARG AAA N   1 ? 
ATOM   254  C CA  . ARG A 1 33  ? 5.911   -0.515  9.960  1.000 8.846  0 31  ARG AAA CA  1 ? 
ATOM   255  C C   . ARG A 1 33  ? 5.527   -0.172  11.399 1.000 9.259  0 31  ARG AAA C   1 ? 
ATOM   256  O O   . ARG A 1 33  ? 6.164   0.710   12.007 1.000 9.317  0 31  ARG AAA O   1 ? 
ATOM   257  C CB  . ARG A 1 33  ? 5.058   0.237   8.949  1.000 9.472  0 31  ARG AAA CB  1 ? 
ATOM   258  C CG  . ARG A 1 33  ? 5.024   1.758   9.140  1.000 9.381  0 31  ARG AAA CG  1 ? 
ATOM   259  C CD  . ARG A 1 33  ? 6.373   2.395   8.916  1.000 9.663  0 31  ARG AAA CD  1 ? 
ATOM   260  N NE  . ARG A 1 33  ? 6.305   3.838   9.113  1.000 9.451  0 31  ARG AAA NE  1 ? 
ATOM   261  C CZ  . ARG A 1 33  ? 7.168   4.737   8.618  1.000 9.517  0 31  ARG AAA CZ  1 ? 
ATOM   262  N NH1 . ARG A 1 33  ? 8.041   4.396   7.707  1.000 10.666 0 31  ARG AAA NH1 1 ? 
ATOM   263  N NH2 . ARG A 1 33  ? 7.073   5.987   9.053  1.000 10.638 0 31  ARG AAA NH2 1 ? 
ATOM   264  N N   . LEU A 1 34  ? 4.471   -0.798  11.934 1.000 8.699  0 32  LEU AAA N   1 ? 
ATOM   265  C CA  . LEU A 1 34  ? 4.069   -0.542  13.331 1.000 9.962  0 32  LEU AAA CA  1 ? 
ATOM   266  C C   . LEU A 1 34  ? 5.131   -0.913  14.317 1.000 9.881  0 32  LEU AAA C   1 ? 
ATOM   267  O O   . LEU A 1 34  ? 5.277   -0.226  15.363 1.000 10.512 0 32  LEU AAA O   1 ? 
ATOM   268  C CB  . LEU A 1 34  ? 2.736   -1.225  13.638 1.000 10.926 0 32  LEU AAA CB  1 ? 
ATOM   269  C CG  . LEU A 1 34  ? 1.532   -0.558  13.043 1.000 11.803 0 32  LEU AAA CG  1 ? 
ATOM   270  C CD1 . LEU A 1 34  ? 0.315   -1.458  13.190 1.000 13.328 0 32  LEU AAA CD1 1 ? 
ATOM   271  C CD2 . LEU A 1 34  ? 1.271   0.799   13.698 1.000 11.913 0 32  LEU AAA CD2 1 ? 
ATOM   272  N N   . LYS A 1 35  ? 5.899   -1.960  14.099 1.000 10.525 0 33  LYS AAA N   1 ? 
ATOM   273  C CA  . LYS A 1 35  ? 7.024   -2.286  14.997 1.000 10.889 0 33  LYS AAA CA  1 ? 
ATOM   274  C C   . LYS A 1 35  ? 8.018   -1.117  15.013 1.000 9.916  0 33  LYS AAA C   1 ? 
ATOM   275  O O   . LYS A 1 35  ? 8.533   -0.734  16.084 1.000 10.970 0 33  LYS AAA O   1 ? 
ATOM   276  C CB  . LYS A 1 35  ? 7.733   -3.587  14.539 1.000 12.343 0 33  LYS AAA CB  1 ? 
ATOM   277  C CG  . LYS A 1 35  ? 6.876   -4.838  14.639 1.000 12.779 0 33  LYS AAA CG  1 ? 
ATOM   278  C CD  . LYS A 1 35  ? 7.516   -6.111  14.254 1.000 14.196 0 33  LYS AAA CD  1 ? 
ATOM   279  C CE  . LYS A 1 35  ? 6.559   -7.265  14.345 1.000 17.706 0 33  LYS AAA CE  1 ? 
ATOM   280  N NZ  . LYS A 1 35  ? 7.218   -8.473  13.821 1.000 17.142 0 33  LYS AAA NZ  1 ? 
ATOM   281  N N   . GLU A 1 36  ? 8.324   -0.611  13.845 1.000 9.979  0 34  GLU AAA N   1 ? 
ATOM   282  C CA  . GLU A 1 36  ? 9.203   0.557   13.728 1.000 9.369  0 34  GLU AAA CA  1 ? 
ATOM   283  C C   . GLU A 1 36  ? 8.609   1.757   14.428 1.000 9.645  0 34  GLU AAA C   1 ? 
ATOM   284  O O   . GLU A 1 36  ? 9.353   2.494   15.154 1.000 9.868  0 34  GLU AAA O   1 ? 
ATOM   285  C CB  . GLU A 1 36  ? 9.507   0.846   12.268 1.000 9.408  0 34  GLU AAA CB  1 ? 
ATOM   286  C CG  . GLU A 1 36  ? 10.179  -0.315  11.536 1.000 10.422 0 34  GLU AAA CG  1 ? 
ATOM   287  C CD  . GLU A 1 36  ? 10.188  -0.208  10.020 1.000 10.342 0 34  GLU AAA CD  1 ? 
ATOM   288  O OE1 . GLU A 1 36  ? 9.873   0.882   9.457  1.000 11.196 0 34  GLU AAA OE1 1 ? 
ATOM   289  O OE2 . GLU A 1 36  ? 10.465  -1.248  9.344  1.000 12.490 0 34  GLU AAA OE2 1 ? 
ATOM   290  N N   . GLU A 1 37  ? 7.320   1.978   14.295 1.000 8.798  0 35  GLU AAA N   1 ? 
ATOM   291  C CA  . GLU A 1 37  ? 6.679   3.134   14.948 1.000 8.725  0 35  GLU AAA CA  1 ? 
ATOM   292  C C   . GLU A 1 37  ? 6.737   3.028   16.461 1.000 8.509  0 35  GLU AAA C   1 ? 
ATOM   293  O O   . GLU A 1 37  ? 7.076   4.004   17.170 1.000 8.961  0 35  GLU AAA O   1 ? 
ATOM   294  C CB  . GLU A 1 37  ? 5.222   3.229   14.520 1.000 8.889  0 35  GLU AAA CB  1 ? 
ATOM   295  C CG  . GLU A 1 37  ? 4.991   3.540   13.053 1.000 9.443  0 35  GLU AAA CG  1 ? 
ATOM   296  C CD  . GLU A 1 37  ? 5.272   4.966   12.648 1.000 9.439  0 35  GLU AAA CD  1 ? 
ATOM   297  O OE1 . GLU A 1 37  ? 5.577   5.837   13.524 1.000 10.220 0 35  GLU AAA OE1 1 ? 
ATOM   298  O OE2 . GLU A 1 37  ? 5.226   5.220   11.391 1.000 10.316 0 35  GLU AAA OE2 1 ? 
ATOM   299  N N   . TYR A 1 38  ? 6.418   1.850   16.995 1.000 8.809  0 36  TYR AAA N   1 ? 
ATOM   300  C CA  . TYR A 1 38  ? 6.442   1.651   18.458 1.000 9.298  0 36  TYR AAA CA  1 ? 
ATOM   301  C C   . TYR A 1 38  ? 7.888   1.712   18.954 1.000 9.493  0 36  TYR AAA C   1 ? 
ATOM   302  O O   . TYR A 1 38  ? 8.077   2.312   20.061 1.000 10.632 0 36  TYR AAA O   1 ? 
ATOM   303  C CB  . TYR A 1 38  ? 5.726   0.343   18.817 1.000 9.317  0 36  TYR AAA CB  1 ? 
ATOM   304  C CG  . TYR A 1 38  ? 4.227   0.502   19.000 1.000 9.592  0 36  TYR AAA CG  1 ? 
ATOM   305  C CD1 . TYR A 1 38  ? 3.324   0.209   17.974 1.000 9.719  0 36  TYR AAA CD1 1 ? 
ATOM   306  C CD2 . TYR A 1 38  ? 3.728   0.900   20.221 1.000 10.013 0 36  TYR AAA CD2 1 ? 
ATOM   307  C CE1 . TYR A 1 38  ? 1.959   0.336   18.150 1.000 11.028 0 36  TYR AAA CE1 1 ? 
ATOM   308  C CE2 . TYR A 1 38  ? 2.371   1.051   20.412 1.000 10.475 0 36  TYR AAA CE2 1 ? 
ATOM   309  C CZ  . TYR A 1 38  ? 1.482   0.764   19.370 1.000 10.440 0 36  TYR AAA CZ  1 ? 
ATOM   310  O OH  . TYR A 1 38  ? 0.122   0.874   19.641 1.000 12.279 0 36  TYR AAA OH  1 ? 
ATOM   311  N N   . GLN A 1 39  ? 8.862   1.146   18.266 1.000 9.800  0 37  GLN AAA N   1 ? 
ATOM   312  C CA  . GLN A 1 39  ? 10.262  1.221   18.783 1.000 10.361 0 37  GLN AAA CA  1 ? 
ATOM   313  C C   . GLN A 1 39  ? 10.748  2.678   18.766 1.000 9.819  0 37  GLN AAA C   1 ? 
ATOM   314  O O   . GLN A 1 39  ? 11.475  3.099   19.677 1.000 10.637 0 37  GLN AAA O   1 ? 
ATOM   315  C CB  . GLN A 1 39  ? 11.179  0.246   18.073 1.000 12.737 0 37  GLN AAA CB  1 ? 
ATOM   316  C CG  . GLN A 1 39  ? 11.722  0.619   16.715 1.000 14.858 0 37  GLN AAA CG  1 ? 
ATOM   317  C CD  . GLN A 1 39  ? 12.650  -0.366  16.012 1.000 15.294 0 37  GLN AAA CD  1 ? 
ATOM   318  O OE1 . GLN A 1 39  ? 12.918  -1.500  16.490 1.000 17.821 0 37  GLN AAA OE1 1 ? 
ATOM   319  N NE2 . GLN A 1 39  ? 13.075  -0.009  14.804 1.000 16.839 0 37  GLN AAA NE2 1 ? 
ATOM   320  N N   A SER A 1 40  ? 10.371  3.453   17.753 0.500 10.135 0 38  SER AAA N   1 ? 
ATOM   321  N N   B SER A 1 40  ? 10.371  3.451   17.749 0.500 9.308  0 38  SER AAA N   1 ? 
ATOM   322  C CA  A SER A 1 40  ? 10.778  4.878   17.671 0.500 9.973  0 38  SER AAA CA  1 ? 
ATOM   323  C CA  B SER A 1 40  ? 10.788  4.875   17.690 0.500 8.582  0 38  SER AAA CA  1 ? 
ATOM   324  C C   A SER A 1 40  ? 10.083  5.694   18.769 0.500 10.022 0 38  SER AAA C   1 ? 
ATOM   325  C C   B SER A 1 40  ? 10.083  5.689   18.779 0.500 9.320  0 38  SER AAA C   1 ? 
ATOM   326  O O   A SER A 1 40  ? 10.736  6.516   19.452 0.500 10.278 0 38  SER AAA O   1 ? 
ATOM   327  O O   B SER A 1 40  ? 10.732  6.516   19.455 0.500 10.016 0 38  SER AAA O   1 ? 
ATOM   328  C CB  A SER A 1 40  ? 10.489  5.385   16.284 0.500 11.288 0 38  SER AAA CB  1 ? 
ATOM   329  C CB  B SER A 1 40  ? 10.543  5.442   16.327 0.500 8.596  0 38  SER AAA CB  1 ? 
ATOM   330  O OG  A SER A 1 40  ? 10.850  6.736   16.112 0.500 14.304 0 38  SER AAA OG  1 ? 
ATOM   331  O OG  B SER A 1 40  ? 11.377  4.820   15.356 0.500 8.144  0 38  SER AAA OG  1 ? 
ATOM   332  N N   . LEU A 1 41  ? 8.796   5.512   18.953 1.000 9.170  0 39  LEU AAA N   1 ? 
ATOM   333  C CA  . LEU A 1 41  ? 8.057   6.208   19.995 1.000 9.597  0 39  LEU AAA CA  1 ? 
ATOM   334  C C   . LEU A 1 41  ? 8.609   5.905   21.370 1.000 10.146 0 39  LEU AAA C   1 ? 
ATOM   335  O O   . LEU A 1 41  ? 8.748   6.868   22.184 1.000 10.621 0 39  LEU AAA O   1 ? 
ATOM   336  C CB  . LEU A 1 41  ? 6.561   5.857   19.967 1.000 10.898 0 39  LEU AAA CB  1 ? 
ATOM   337  C CG  . LEU A 1 41  ? 5.727   6.588   18.942 1.000 12.687 0 39  LEU AAA CG  1 ? 
ATOM   338  C CD1 . LEU A 1 41  ? 4.379   5.901   18.807 1.000 14.000 0 39  LEU AAA CD1 1 ? 
ATOM   339  C CD2 . LEU A 1 41  ? 5.566   8.092   19.372 1.000 12.186 0 39  LEU AAA CD2 1 ? 
ATOM   340  N N   . ILE A 1 42  ? 8.854   4.637   21.700 1.000 10.256 0 40  ILE AAA N   1 ? 
ATOM   341  C CA  . ILE A 1 42  ? 9.235   4.328   23.092 1.000 11.195 0 40  ILE AAA CA  1 ? 
ATOM   342  C C   . ILE A 1 42  ? 10.650  4.859   23.350 1.000 11.119 0 40  ILE AAA C   1 ? 
ATOM   343  O O   . ILE A 1 42  ? 10.889  5.328   24.521 1.000 12.236 0 40  ILE AAA O   1 ? 
ATOM   344  C CB  . ILE A 1 42  ? 9.070   2.835   23.432 1.000 11.690 0 40  ILE AAA CB  1 ? 
ATOM   345  C CG1 . ILE A 1 42  ? 8.970   2.648   24.948 1.000 12.635 0 40  ILE AAA CG1 1 ? 
ATOM   346  C CG2 . ILE A 1 42  ? 10.163  1.987   22.869 1.000 12.651 0 40  ILE AAA CG2 1 ? 
ATOM   347  C CD1 . ILE A 1 42  ? 7.733   3.259   25.523 1.000 14.975 0 40  ILE AAA CD1 1 ? 
ATOM   348  N N   . ARG A 1 43  ? 11.548  4.850   22.386 1.000 10.634 0 41  ARG AAA N   1 ? 
ATOM   349  C CA  . ARG A 1 43  ? 12.896  5.447   22.602 1.000 11.087 0 41  ARG AAA CA  1 ? 
ATOM   350  C C   . ARG A 1 43  ? 12.747  6.968   22.776 1.000 10.566 0 41  ARG AAA C   1 ? 
ATOM   351  O O   . ARG A 1 43  ? 13.430  7.554   23.666 1.000 11.184 0 41  ARG AAA O   1 ? 
ATOM   352  C CB  . ARG A 1 43  ? 13.809  5.098   21.428 1.000 11.183 0 41  ARG AAA CB  1 ? 
ATOM   353  C CG  . ARG A 1 43  ? 15.159  5.832   21.485 1.000 11.805 0 41  ARG AAA CG  1 ? 
ATOM   354  C CD  . ARG A 1 43  ? 16.061  5.481   22.676 1.000 12.554 0 41  ARG AAA CD  1 ? 
ATOM   355  N NE  . ARG A 1 43  ? 17.226  6.380   22.779 1.000 14.696 0 41  ARG AAA NE  1 ? 
ATOM   356  C CZ  . ARG A 1 43  ? 18.426  6.349   22.160 1.000 16.297 0 41  ARG AAA CZ  1 ? 
ATOM   357  N NH1 . ARG A 1 43  ? 19.341  7.261   22.481 1.000 16.956 0 41  ARG AAA NH1 1 ? 
ATOM   358  N NH2 . ARG A 1 43  ? 18.753  5.427   21.283 1.000 16.240 0 41  ARG AAA NH2 1 ? 
ATOM   359  N N   . TYR A 1 44  ? 11.861  7.615   22.006 1.000 10.604 0 42  TYR AAA N   1 ? 
ATOM   360  C CA  . TYR A 1 44  ? 11.626  9.061   22.192 1.000 10.122 0 42  TYR AAA CA  1 ? 
ATOM   361  C C   . TYR A 1 44  ? 11.109  9.348   23.581 1.000 10.744 0 42  TYR AAA C   1 ? 
ATOM   362  O O   . TYR A 1 44  ? 11.608  10.302  24.254 1.000 10.541 0 42  TYR AAA O   1 ? 
ATOM   363  C CB  . TYR A 1 44  ? 10.730  9.554   21.048 1.000 9.990  0 42  TYR AAA CB  1 ? 
ATOM   364  C CG  . TYR A 1 44  ? 10.412  11.028  21.079 1.000 10.438 0 42  TYR AAA CG  1 ? 
ATOM   365  C CD1 . TYR A 1 44  ? 11.400  11.977  21.294 1.000 11.199 0 42  TYR AAA CD1 1 ? 
ATOM   366  C CD2 . TYR A 1 44  ? 9.136   11.497  20.814 1.000 11.851 0 42  TYR AAA CD2 1 ? 
ATOM   367  C CE1 . TYR A 1 44  ? 11.121  13.329  21.316 1.000 11.018 0 42  TYR AAA CE1 1 ? 
ATOM   368  C CE2 . TYR A 1 44  ? 8.844   12.851  20.846 1.000 11.802 0 42  TYR AAA CE2 1 ? 
ATOM   369  C CZ  . TYR A 1 44  ? 9.836   13.768  21.092 1.000 11.156 0 42  TYR AAA CZ  1 ? 
ATOM   370  O OH  . TYR A 1 44  ? 9.508   15.109  21.158 1.000 11.645 0 42  TYR AAA OH  1 ? 
ATOM   371  N N   . VAL A 1 45  ? 10.144  8.574   24.049 1.000 10.461 0 43  VAL AAA N   1 ? 
ATOM   372  C CA  . VAL A 1 45  ? 9.650   8.726   25.436 1.000 11.200 0 43  VAL AAA CA  1 ? 
ATOM   373  C C   . VAL A 1 45  ? 10.798  8.570   26.458 1.000 11.497 0 43  VAL AAA C   1 ? 
ATOM   374  O O   . VAL A 1 45  ? 10.899  9.405   27.442 1.000 12.265 0 43  VAL AAA O   1 ? 
ATOM   375  C CB  . VAL A 1 45  ? 8.468   7.779   25.732 1.000 11.527 0 43  VAL AAA CB  1 ? 
ATOM   376  C CG1 . VAL A 1 45  ? 8.085   7.812   27.207 1.000 12.558 0 43  VAL AAA CG1 1 ? 
ATOM   377  C CG2 . VAL A 1 45  ? 7.274   8.128   24.919 1.000 12.694 0 43  VAL AAA CG2 1 ? 
ATOM   378  N N   . GLU A 1 46  ? 11.638  7.577   26.307 1.000 11.664 0 44  GLU AAA N   1 ? 
ATOM   379  C CA  . GLU A 1 46  ? 12.757  7.365   27.277 1.000 12.369 0 44  GLU AAA CA  1 ? 
ATOM   380  C C   . GLU A 1 46  ? 13.673  8.577   27.242 1.000 11.198 0 44  GLU AAA C   1 ? 
ATOM   381  O O   . GLU A 1 46  ? 14.102  9.082   28.330 1.000 11.968 0 44  GLU AAA O   1 ? 
ATOM   382  C CB  . GLU A 1 46  ? 13.548  6.087   26.906 1.000 13.899 0 44  GLU AAA CB  1 ? 
ATOM   383  C CG  . GLU A 1 46  ? 14.809  5.856   27.754 1.000 15.669 0 44  GLU AAA CG  1 ? 
ATOM   384  C CD  . GLU A 1 46  ? 15.671  4.623   27.514 1.000 16.851 0 44  GLU AAA CD  1 ? 
ATOM   385  O OE1 . GLU A 1 46  ? 15.553  4.009   26.385 1.000 15.823 0 44  GLU AAA OE1 1 ? 
ATOM   386  O OE2 . GLU A 1 46  ? 16.509  4.269   28.425 1.000 17.562 0 44  GLU AAA OE2 1 ? 
ATOM   387  N N   . ASN A 1 47  ? 14.017  9.039   26.081 1.000 10.781 0 45  ASN AAA N   1 ? 
ATOM   388  C CA  . ASN A 1 47  ? 14.878  10.228  25.953 1.000 11.313 0 45  ASN AAA CA  1 ? 
ATOM   389  C C   . ASN A 1 47  ? 14.206  11.412  26.635 1.000 10.629 0 45  ASN AAA C   1 ? 
ATOM   390  O O   . ASN A 1 47  ? 14.892  12.219  27.331 1.000 11.479 0 45  ASN AAA O   1 ? 
ATOM   391  C CB  . ASN A 1 47  ? 15.189  10.546  24.508 1.000 12.264 0 45  ASN AAA CB  1 ? 
ATOM   392  C CG  . ASN A 1 47  ? 15.999  9.504   23.764 1.000 13.563 0 45  ASN AAA CG  1 ? 
ATOM   393  O OD1 . ASN A 1 47  ? 16.567  8.620   24.378 1.000 14.231 0 45  ASN AAA OD1 1 ? 
ATOM   394  N ND2 . ASN A 1 47  ? 16.001  9.618   22.446 1.000 14.117 0 45  ASN AAA ND2 1 ? 
ATOM   395  N N   . ASN A 1 48  ? 12.923  11.573  26.435 1.000 10.198 0 46  ASN AAA N   1 ? 
ATOM   396  C CA  . ASN A 1 48  ? 12.166  12.703  27.019 1.000 10.209 0 46  ASN AAA CA  1 ? 
ATOM   397  C C   . ASN A 1 48  ? 12.217  12.634  28.531 1.000 10.251 0 46  ASN AAA C   1 ? 
ATOM   398  O O   . ASN A 1 48  ? 12.427  13.675  29.212 1.000 10.996 0 46  ASN AAA O   1 ? 
ATOM   399  C CB  . ASN A 1 48  ? 10.743  12.689  26.523 1.000 10.363 0 46  ASN AAA CB  1 ? 
ATOM   400  C CG  . ASN A 1 48  ? 10.585  13.137  25.094 1.000 10.633 0 46  ASN AAA CG  1 ? 
ATOM   401  O OD1 . ASN A 1 48  ? 11.467  13.756  24.514 1.000 11.795 0 46  ASN AAA OD1 1 ? 
ATOM   402  N ND2 . ASN A 1 48  ? 9.422   12.864  24.529 1.000 11.330 0 46  ASN AAA ND2 1 ? 
ATOM   403  N N   . LYS A 1 49  ? 12.005  11.461  29.103 1.000 10.853 0 47  LYS AAA N   1 ? 
ATOM   404  C CA  . LYS A 1 49  ? 12.061  11.289  30.571 1.000 11.605 0 47  LYS AAA CA  1 ? 
ATOM   405  C C   . LYS A 1 49  ? 13.435  11.655  31.074 1.000 12.348 0 47  LYS AAA C   1 ? 
ATOM   406  O O   . LYS A 1 49  ? 13.524  12.382  32.134 1.000 13.209 0 47  LYS AAA O   1 ? 
ATOM   407  C CB  . LYS A 1 49  ? 11.761  9.830   30.915 1.000 14.232 0 47  LYS AAA CB  1 ? 
ATOM   408  C CG  . LYS A 1 49  ? 10.313  9.467   30.786 1.000 15.591 0 47  LYS AAA CG  1 ? 
ATOM   409  C CD  . LYS A 1 49  ? 10.055  7.997   31.114 1.000 18.269 0 47  LYS AAA CD  1 ? 
ATOM   410  C CE  . LYS A 1 49  ? 8.600   7.639   31.188 1.000 20.848 0 47  LYS AAA CE  1 ? 
ATOM   411  N NZ  . LYS A 1 49  ? 8.399   6.262   31.715 1.000 23.879 0 47  LYS AAA NZ  1 ? 
ATOM   412  N N   . ASN A 1 50  ? 14.482  11.253  30.413 1.000 12.522 0 48  ASN AAA N   1 ? 
ATOM   413  C CA  . ASN A 1 50  ? 15.849  11.569  30.846 1.000 13.794 0 48  ASN AAA CA  1 ? 
ATOM   414  C C   . ASN A 1 50  ? 16.128  13.056  30.781 1.000 14.131 0 48  ASN AAA C   1 ? 
ATOM   415  O O   . ASN A 1 50  ? 17.077  13.481  31.512 1.000 17.495 0 48  ASN AAA O   1 ? 
ATOM   416  C CB  . ASN A 1 50  ? 16.864  10.812  30.016 1.000 15.529 0 48  ASN AAA CB  1 ? 
ATOM   417  C CG  . ASN A 1 50  ? 16.876  9.374   30.432 1.000 23.243 0 48  ASN AAA CG  1 ? 
ATOM   418  O OD1 . ASN A 1 50  ? 16.523  9.073   31.566 1.000 27.364 0 48  ASN AAA OD1 1 ? 
ATOM   419  N ND2 . ASN A 1 50  ? 17.199  8.491   29.522 1.000 24.073 0 48  ASN AAA ND2 1 ? 
ATOM   420  N N   . ALA A 1 51  ? 15.406  13.829  29.994 1.000 13.202 0 49  ALA AAA N   1 ? 
ATOM   421  C CA  . ALA A 1 51  ? 15.545  15.279  29.727 1.000 15.032 0 49  ALA AAA CA  1 ? 
ATOM   422  C C   . ALA A 1 51  ? 14.552  16.098  30.580 1.000 12.175 0 49  ALA AAA C   1 ? 
ATOM   423  O O   . ALA A 1 51  ? 14.406  17.290  30.301 1.000 12.261 0 49  ALA AAA O   1 ? 
ATOM   424  C CB  . ALA A 1 51  ? 15.323  15.517  28.244 1.000 17.105 0 49  ALA AAA CB  1 ? 
ATOM   425  N N   . ASP A 1 52  ? 13.826  15.489  31.487 1.000 12.523 0 50  ASP AAA N   1 ? 
ATOM   426  C CA  . ASP A 1 52  ? 12.760  16.172  32.257 1.000 12.186 0 50  ASP AAA CA  1 ? 
ATOM   427  C C   . ASP A 1 52  ? 11.760  16.840  31.330 1.000 11.365 0 50  ASP AAA C   1 ? 
ATOM   428  O O   . ASP A 1 52  ? 11.236  17.917  31.646 1.000 11.874 0 50  ASP AAA O   1 ? 
ATOM   429  C CB  . ASP A 1 52  ? 13.331  17.188  33.248 1.000 13.805 0 50  ASP AAA CB  1 ? 
ATOM   430  C CG  . ASP A 1 52  ? 12.278  17.692  34.229 1.000 17.747 0 50  ASP AAA CG  1 ? 
ATOM   431  O OD1 . ASP A 1 52  ? 11.389  16.895  34.641 1.000 19.008 0 50  ASP AAA OD1 1 ? 
ATOM   432  O OD2 . ASP A 1 52  ? 12.286  18.923  34.562 1.000 18.018 0 50  ASP AAA OD2 1 ? 
ATOM   433  N N   . ASN A 1 53  ? 11.436  16.161  30.212 1.000 11.177 0 51  ASN AAA N   1 ? 
ATOM   434  C CA  . ASN A 1 53  ? 10.472  16.684  29.231 1.000 10.972 0 51  ASN AAA CA  1 ? 
ATOM   435  C C   . ASN A 1 53  ? 9.559   15.559  28.766 1.000 10.459 0 51  ASN AAA C   1 ? 
ATOM   436  O O   . ASN A 1 53  ? 9.350   15.415  27.544 1.000 11.266 0 51  ASN AAA O   1 ? 
ATOM   437  C CB  . ASN A 1 53  ? 11.199  17.372  28.080 1.000 12.079 0 51  ASN AAA CB  1 ? 
ATOM   438  C CG  . ASN A 1 53  ? 10.267  18.246  27.295 1.000 12.816 0 51  ASN AAA CG  1 ? 
ATOM   439  O OD1 . ASN A 1 53  ? 9.663   19.151  27.932 1.000 18.465 0 51  ASN AAA OD1 1 ? 
ATOM   440  N ND2 . ASN A 1 53  ? 10.175  18.138  25.993 1.000 12.296 0 51  ASN AAA ND2 1 ? 
ATOM   441  N N   . ASP A 1 54  ? 9.009   14.804  29.716 1.000 11.566 0 52  ASP AAA N   1 ? 
ATOM   442  C CA  . ASP A 1 54  ? 8.102   13.689  29.372 1.000 11.470 0 52  ASP AAA CA  1 ? 
ATOM   443  C C   . ASP A 1 54  ? 6.743   14.298  29.072 1.000 11.355 0 52  ASP AAA C   1 ? 
ATOM   444  O O   . ASP A 1 54  ? 5.903   14.363  29.979 1.000 16.196 0 52  ASP AAA O   1 ? 
ATOM   445  C CB  . ASP A 1 54  ? 8.067   12.695  30.521 1.000 13.320 0 52  ASP AAA CB  1 ? 
ATOM   446  C CG  . ASP A 1 54  ? 7.306   11.443  30.176 1.000 14.593 0 52  ASP AAA CG  1 ? 
ATOM   447  O OD1 . ASP A 1 54  ? 7.031   11.174  28.996 1.000 13.968 0 52  ASP AAA OD1 1 ? 
ATOM   448  O OD2 . ASP A 1 54  ? 7.016   10.675  31.166 1.000 17.080 0 52  ASP AAA OD2 1 ? 
ATOM   449  N N   . TRP A 1 55  ? 6.452   14.630  27.823 1.000 11.007 0 53  TRP AAA N   1 ? 
ATOM   450  C CA  . TRP A 1 55  ? 5.384   15.562  27.468 1.000 10.467 0 53  TRP AAA CA  1 ? 
ATOM   451  C C   . TRP A 1 55  ? 4.206   14.917  26.762 1.000 10.622 0 53  TRP AAA C   1 ? 
ATOM   452  O O   . TRP A 1 55  ? 3.263   15.638  26.454 1.000 10.241 0 53  TRP AAA O   1 ? 
ATOM   453  C CB  . TRP A 1 55  ? 5.959   16.724  26.660 1.000 10.282 0 53  TRP AAA CB  1 ? 
ATOM   454  C CG  . TRP A 1 55  ? 6.425   16.425  25.267 1.000 9.396  0 53  TRP AAA CG  1 ? 
ATOM   455  C CD1 . TRP A 1 55  ? 7.644   15.942  24.880 1.000 9.454  0 53  TRP AAA CD1 1 ? 
ATOM   456  C CD2 . TRP A 1 55  ? 5.669   16.619  24.048 1.000 9.869  0 53  TRP AAA CD2 1 ? 
ATOM   457  N NE1 . TRP A 1 55  ? 7.706   15.815  23.503 1.000 9.680  0 53  TRP AAA NE1 1 ? 
ATOM   458  C CE2 . TRP A 1 55  ? 6.490   16.225  22.978 1.000 9.469  0 53  TRP AAA CE2 1 ? 
ATOM   459  C CE3 . TRP A 1 55  ? 4.383   17.064  23.783 1.000 9.833  0 53  TRP AAA CE3 1 ? 
ATOM   460  C CZ2 . TRP A 1 55  ? 6.069   16.332  21.654 1.000 10.530 0 53  TRP AAA CZ2 1 ? 
ATOM   461  C CZ3 . TRP A 1 55  ? 3.970   17.172  22.477 1.000 10.558 0 53  TRP AAA CZ3 1 ? 
ATOM   462  C CH2 . TRP A 1 55  ? 4.797   16.812  21.430 1.000 10.039 0 53  TRP AAA CH2 1 ? 
ATOM   463  N N   . PHE A 1 56  ? 4.203   13.597  26.547 1.000 10.810 0 54  PHE AAA N   1 ? 
ATOM   464  C CA  . PHE A 1 56  ? 3.002   13.004  25.925 1.000 11.076 0 54  PHE AAA CA  1 ? 
ATOM   465  C C   . PHE A 1 56  ? 2.928   11.524  26.241 1.000 11.492 0 54  PHE AAA C   1 ? 
ATOM   466  O O   . PHE A 1 56  ? 3.949   10.884  26.559 1.000 12.131 0 54  PHE AAA O   1 ? 
ATOM   467  C CB  . PHE A 1 56  ? 2.988   13.191  24.396 1.000 11.356 0 54  PHE AAA CB  1 ? 
ATOM   468  C CG  . PHE A 1 56  ? 3.988   12.298  23.684 1.000 11.931 0 54  PHE AAA CG  1 ? 
ATOM   469  C CD1 . PHE A 1 56  ? 3.591   11.028  23.221 1.000 11.845 0 54  PHE AAA CD1 1 ? 
ATOM   470  C CD2 . PHE A 1 56  ? 5.323   12.658  23.543 1.000 12.531 0 54  PHE AAA CD2 1 ? 
ATOM   471  C CE1 . PHE A 1 56  ? 4.506   10.187  22.625 1.000 12.933 0 54  PHE AAA CE1 1 ? 
ATOM   472  C CE2 . PHE A 1 56  ? 6.219   11.793  22.935 1.000 14.225 0 54  PHE AAA CE2 1 ? 
ATOM   473  C CZ  . PHE A 1 56  ? 5.810   10.559  22.487 1.000 13.282 0 54  PHE AAA CZ  1 ? 
ATOM   474  N N   . ARG A 1 57  ? 1.716   10.975  26.052 1.000 11.378 0 55  ARG AAA N   1 ? 
ATOM   475  C CA  . ARG A 1 57  ? 1.442   9.515   26.022 1.000 12.181 0 55  ARG AAA CA  1 ? 
ATOM   476  C C   . ARG A 1 57  ? 0.585   9.291   24.789 1.000 12.312 0 55  ARG AAA C   1 ? 
ATOM   477  O O   . ARG A 1 57  ? -0.344  10.073  24.569 1.000 12.906 0 55  ARG AAA O   1 ? 
ATOM   478  C CB  . ARG A 1 57  ? 0.706   9.099   27.297 1.000 14.034 0 55  ARG AAA CB  1 ? 
ATOM   479  C CG  . ARG A 1 57  ? 1.555   9.030   28.555 1.000 16.419 0 55  ARG AAA CG  1 ? 
ATOM   480  C CD  . ARG A 1 57  ? 2.530   7.870   28.577 1.000 17.142 0 55  ARG AAA CD  1 ? 
ATOM   481  N NE  . ARG A 1 57  ? 3.391   7.906   29.780 1.000 19.046 0 55  ARG AAA NE  1 ? 
ATOM   482  C CZ  . ARG A 1 57  ? 4.502   8.646   29.846 1.000 17.521 0 55  ARG AAA CZ  1 ? 
ATOM   483  N NH1 . ARG A 1 57  ? 4.847   9.420   28.814 1.000 15.097 0 55  ARG AAA NH1 1 ? 
ATOM   484  N NH2 . ARG A 1 57  ? 5.248   8.623   30.946 1.000 19.219 0 55  ARG AAA NH2 1 ? 
ATOM   485  N N   . LEU A 1 58  ? 0.772   8.172   24.141 1.000 10.851 0 56  LEU AAA N   1 ? 
ATOM   486  C CA  . LEU A 1 58  ? -0.042  7.759   22.958 1.000 11.278 0 56  LEU AAA CA  1 ? 
ATOM   487  C C   . LEU A 1 58  ? -0.339  6.273   23.045 1.000 11.701 0 56  LEU AAA C   1 ? 
ATOM   488  O O   . LEU A 1 58  ? 0.537   5.467   23.439 1.000 12.589 0 56  LEU AAA O   1 ? 
ATOM   489  C CB  . LEU A 1 58  ? 0.647   8.050   21.631 1.000 11.987 0 56  LEU AAA CB  1 ? 
ATOM   490  C CG  . LEU A 1 58  ? 0.566   9.477   21.138 1.000 12.875 0 56  LEU AAA CG  1 ? 
ATOM   491  C CD1 . LEU A 1 58  ? 1.463   9.667   19.981 1.000 13.538 0 56  LEU AAA CD1 1 ? 
ATOM   492  C CD2 . LEU A 1 58  ? -0.850  9.891   20.760 1.000 12.606 0 56  LEU AAA CD2 1 ? 
ATOM   493  N N   . GLU A 1 59  ? -1.534  5.915   22.625 1.000 11.927 0 57  GLU AAA N   1 ? 
ATOM   494  C CA  . GLU A 1 59  ? -1.972  4.522   22.401 1.000 12.436 0 57  GLU AAA CA  1 ? 
ATOM   495  C C   . GLU A 1 59  ? -2.699  4.442   21.075 1.000 11.086 0 57  GLU AAA C   1 ? 
ATOM   496  O O   . GLU A 1 59  ? -3.152  5.471   20.511 1.000 11.594 0 57  GLU AAA O   1 ? 
ATOM   497  C CB  . GLU A 1 59  ? -2.782  3.999   23.551 1.000 15.326 0 57  GLU AAA CB  1 ? 
ATOM   498  C CG  . GLU A 1 59  ? -4.095  4.603   23.703 1.000 20.153 0 57  GLU AAA CG  1 ? 
ATOM   499  C CD  . GLU A 1 59  ? -4.727  4.141   25.031 1.000 26.262 0 57  GLU AAA CD  1 ? 
ATOM   500  O OE1 . GLU A 1 59  ? -4.885  2.919   25.219 1.000 27.467 0 57  GLU AAA OE1 1 ? 
ATOM   501  O OE2 . GLU A 1 59  ? -4.976  4.977   25.915 1.000 38.917 0 57  GLU AAA OE2 1 ? 
ATOM   502  N N   . SER A 1 60  ? -2.834  3.220   20.583 1.000 11.112 0 58  SER AAA N   1 ? 
ATOM   503  C CA  . SER A 1 60  ? -3.572  2.996   19.327 1.000 10.424 0 58  SER AAA CA  1 ? 
ATOM   504  C C   . SER A 1 60  ? -4.651  1.946   19.506 1.000 10.553 0 58  SER AAA C   1 ? 
ATOM   505  O O   . SER A 1 60  ? -4.636  1.163   20.483 1.000 11.226 0 58  SER AAA O   1 ? 
ATOM   506  C CB  . SER A 1 60  ? -2.678  2.614   18.158 1.000 11.124 0 58  SER AAA CB  1 ? 
ATOM   507  O OG  . SER A 1 60  ? -2.186  1.292   18.235 1.000 11.686 0 58  SER AAA OG  1 ? 
ATOM   508  N N   . ASN A 1 61  ? -5.570  1.888   18.555 1.000 10.467 0 59  ASN AAA N   1 ? 
ATOM   509  C CA  . ASN A 1 61  ? -6.438  0.707   18.398 1.000 10.603 0 59  ASN AAA CA  1 ? 
ATOM   510  C C   . ASN A 1 61  ? -5.617  -0.500  17.990 1.000 10.723 0 59  ASN AAA C   1 ? 
ATOM   511  O O   . ASN A 1 61  ? -4.402  -0.447  17.780 1.000 10.995 0 59  ASN AAA O   1 ? 
ATOM   512  C CB  . ASN A 1 61  ? -7.589  1.025   17.442 1.000 10.930 0 59  ASN AAA CB  1 ? 
ATOM   513  C CG  . ASN A 1 61  ? -7.152  1.332   16.032 1.000 10.852 0 59  ASN AAA CG  1 ? 
ATOM   514  O OD1 . ASN A 1 61  ? -5.957  1.375   15.730 1.000 11.184 0 59  ASN AAA OD1 1 ? 
ATOM   515  N ND2 . ASN A 1 61  ? -8.118  1.591   15.150 1.000 11.378 0 59  ASN AAA ND2 1 ? 
ATOM   516  N N   . LYS A 1 62  ? -6.272  -1.657  17.933 1.000 11.082 0 60  LYS AAA N   1 ? 
ATOM   517  C CA  . LYS A 1 62  ? -5.563  -2.911  17.664 1.000 11.543 0 60  LYS AAA CA  1 ? 
ATOM   518  C C   . LYS A 1 62  ? -4.825  -2.821  16.334 1.000 11.333 0 60  LYS AAA C   1 ? 
ATOM   519  O O   . LYS A 1 62  ? -3.651  -3.278  16.306 1.000 13.551 0 60  LYS AAA O   1 ? 
ATOM   520  C CB  . LYS A 1 62  ? -6.541  -4.079  17.590 1.000 12.703 0 60  LYS AAA CB  1 ? 
ATOM   521  C CG  . LYS A 1 62  ? -5.897  -5.429  17.297 1.000 15.689 0 60  LYS AAA CG  1 ? 
ATOM   522  C CD  . LYS A 1 62  ? -6.848  -6.624  17.301 1.000 20.108 0 60  LYS AAA CD  1 ? 
ATOM   523  C CE  . LYS A 1 62  ? -6.158  -7.895  16.833 1.000 24.878 0 60  LYS AAA CE  1 ? 
ATOM   524  N NZ  . LYS A 1 62  ? -6.998  -9.086  17.122 1.000 32.565 0 60  LYS AAA NZ  1 ? 
ATOM   525  N N   . GLU A 1 63  ? -5.408  -2.285  15.286 1.000 11.915 0 61  GLU AAA N   1 ? 
ATOM   526  C CA  . GLU A 1 63  ? -4.802  -2.254  13.956 1.000 12.764 0 61  GLU AAA CA  1 ? 
ATOM   527  C C   . GLU A 1 63  ? -3.823  -1.087  13.799 1.000 12.727 0 61  GLU AAA C   1 ? 
ATOM   528  O O   . GLU A 1 63  ? -3.165  -1.055  12.732 1.000 14.020 0 61  GLU AAA O   1 ? 
ATOM   529  C CB  . GLU A 1 63  ? -5.895  -2.212  12.888 1.000 15.424 0 61  GLU AAA CB  1 ? 
ATOM   530  C CG  . GLU A 1 63  ? -6.776  -3.497  12.896 1.000 18.810 0 61  GLU AAA CG  1 ? 
ATOM   531  C CD  . GLU A 1 63  ? -6.092  -4.887  12.794 1.000 25.871 0 61  GLU AAA CD  1 ? 
ATOM   532  O OE1 . GLU A 1 63  ? -5.085  -4.995  12.050 1.000 33.948 0 61  GLU AAA OE1 1 ? 
ATOM   533  O OE2 . GLU A 1 63  ? -6.492  -5.876  13.502 1.000 30.775 0 61  GLU AAA OE2 1 ? 
ATOM   534  N N   . GLY A 1 64  ? -3.685  -0.203  14.788 1.000 11.784 0 62  GLY AAA N   1 ? 
ATOM   535  C CA  . GLY A 1 64  ? -2.691  0.887   14.690 1.000 11.876 0 62  GLY AAA CA  1 ? 
ATOM   536  C C   . GLY A 1 64  ? -3.127  2.015   13.768 1.000 11.565 0 62  GLY AAA C   1 ? 
ATOM   537  O O   . GLY A 1 64  ? -2.230  2.779   13.327 1.000 12.861 0 62  GLY AAA O   1 ? 
ATOM   538  N N   . THR A 1 65  ? -4.390  2.147   13.444 1.000 12.109 0 63  THR AAA N   1 ? 
ATOM   539  C CA  . THR A 1 65  ? -4.906  3.146   12.527 1.000 12.281 0 63  THR AAA CA  1 ? 
ATOM   540  C C   . THR A 1 65  ? -5.550  4.323   13.200 1.000 11.525 0 63  THR AAA C   1 ? 
ATOM   541  O O   . THR A 1 65  ? -5.821  5.352   12.495 1.000 13.082 0 63  THR AAA O   1 ? 
ATOM   542  C CB  . THR A 1 65  ? -5.879  2.480   11.555 1.000 14.179 0 63  THR AAA CB  1 ? 
ATOM   543  O OG1 . THR A 1 65  ? -7.011  2.039   12.327 1.000 13.481 0 63  THR AAA OG1 1 ? 
ATOM   544  C CG2 . THR A 1 65  ? -5.231  1.359   10.780 1.000 16.249 0 63  THR AAA CG2 1 ? 
ATOM   545  N N   . ARG A 1 66  ? -5.864  4.250   14.469 1.000 11.178 0 64  ARG AAA N   1 ? 
ATOM   546  C CA  . ARG A 1 66  ? -6.440  5.344   15.254 1.000 11.481 0 64  ARG AAA CA  1 ? 
ATOM   547  C C   . ARG A 1 66  ? -5.580  5.488   16.474 1.000 10.630 0 64  ARG AAA C   1 ? 
ATOM   548  O O   . ARG A 1 66  ? -5.398  4.478   17.196 1.000 12.120 0 64  ARG AAA O   1 ? 
ATOM   549  C CB  . ARG A 1 66  ? -7.888  5.044   15.628 1.000 13.871 0 64  ARG AAA CB  1 ? 
ATOM   550  C CG  . ARG A 1 66  ? -8.849  4.977   14.461 1.000 15.860 0 64  ARG AAA CG  1 ? 
ATOM   551  C CD  . ARG A 1 66  ? -9.129  6.358   13.972 1.000 19.334 0 64  ARG AAA CD  1 ? 
ATOM   552  N NE  . ARG A 1 66  ? -10.052 6.547   12.853 1.000 23.432 0 64  ARG AAA NE  1 ? 
ATOM   553  C CZ  . ARG A 1 66  ? -9.834  6.343   11.567 1.000 32.155 0 64  ARG AAA CZ  1 ? 
ATOM   554  N NH1 . ARG A 1 66  ? -8.719  5.746   11.131 1.000 34.118 0 64  ARG AAA NH1 1 ? 
ATOM   555  N NH2 . ARG A 1 66  ? -10.787 6.746   10.717 1.000 29.515 0 64  ARG AAA NH2 1 ? 
ATOM   556  N N   . TRP A 1 67  ? -5.075  6.697   16.720 1.000 10.636 0 65  TRP AAA N   1 ? 
ATOM   557  C CA  . TRP A 1 67  ? -4.174  6.994   17.837 1.000 10.453 0 65  TRP AAA CA  1 ? 
ATOM   558  C C   . TRP A 1 67  ? -4.825  8.030   18.732 1.000 10.627 0 65  TRP AAA C   1 ? 
ATOM   559  O O   . TRP A 1 67  ? -5.532  8.963   18.225 1.000 11.319 0 65  TRP AAA O   1 ? 
ATOM   560  C CB  . TRP A 1 67  ? -2.830  7.483   17.298 1.000 11.404 0 65  TRP AAA CB  1 ? 
ATOM   561  C CG  . TRP A 1 67  ? -2.044  6.419   16.612 1.000 10.766 0 65  TRP AAA CG  1 ? 
ATOM   562  C CD1 . TRP A 1 67  ? -2.247  5.868   15.390 1.000 12.481 0 65  TRP AAA CD1 1 ? 
ATOM   563  C CD2 . TRP A 1 67  ? -0.982  5.665   17.192 1.000 11.519 0 65  TRP AAA CD2 1 ? 
ATOM   564  N NE1 . TRP A 1 67  ? -1.383  4.844   15.140 1.000 12.187 0 65  TRP AAA NE1 1 ? 
ATOM   565  C CE2 . TRP A 1 67  ? -0.611  4.710   16.231 1.000 11.070 0 65  TRP AAA CE2 1 ? 
ATOM   566  C CE3 . TRP A 1 67  ? -0.314  5.676   18.432 1.000 11.402 0 65  TRP AAA CE3 1 ? 
ATOM   567  C CZ2 . TRP A 1 67  ? 0.430   3.813   16.460 1.000 12.200 0 65  TRP AAA CZ2 1 ? 
ATOM   568  C CZ3 . TRP A 1 67  ? 0.708   4.774   18.644 1.000 13.702 0 65  TRP AAA CZ3 1 ? 
ATOM   569  C CH2 . TRP A 1 67  ? 1.097   3.906   17.641 1.000 13.294 0 65  TRP AAA CH2 1 ? 
ATOM   570  N N   . PHE A 1 68  ? -4.579  7.951   20.020 1.000 10.212 0 66  PHE AAA N   1 ? 
ATOM   571  C CA  . PHE A 1 68  ? -5.147  8.914   20.952 1.000 11.252 0 66  PHE AAA CA  1 ? 
ATOM   572  C C   . PHE A 1 68  ? -4.301  8.915   22.220 1.000 10.740 0 66  PHE AAA C   1 ? 
ATOM   573  O O   . PHE A 1 68  ? -3.603  7.930   22.540 1.000 11.968 0 66  PHE AAA O   1 ? 
ATOM   574  C CB  . PHE A 1 68  ? -6.602  8.564   21.261 1.000 13.377 0 66  PHE AAA CB  1 ? 
ATOM   575  C CG  . PHE A 1 68  ? -6.830  7.153   21.732 1.000 17.684 0 66  PHE AAA CG  1 ? 
ATOM   576  C CD1 . PHE A 1 68  ? -6.927  6.861   23.075 1.000 22.976 0 66  PHE AAA CD1 1 ? 
ATOM   577  C CD2 . PHE A 1 68  ? -6.891  6.099   20.817 1.000 20.611 0 66  PHE AAA CD2 1 ? 
ATOM   578  C CE1 . PHE A 1 68  ? -7.203  5.557   23.498 1.000 25.667 0 66  PHE AAA CE1 1 ? 
ATOM   579  C CE2 . PHE A 1 68  ? -7.103  4.786   21.247 1.000 25.109 0 66  PHE AAA CE2 1 ? 
ATOM   580  C CZ  . PHE A 1 68  ? -7.224  4.532   22.584 1.000 24.424 0 66  PHE AAA CZ  1 ? 
ATOM   581  N N   . GLY A 1 69  ? -4.350  10.018  22.956 1.000 10.709 0 67  GLY AAA N   1 ? 
ATOM   582  C CA  . GLY A 1 69  ? -3.621  10.125  24.215 1.000 11.427 0 67  GLY AAA CA  1 ? 
ATOM   583  C C   . GLY A 1 69  ? -3.665  11.538  24.727 1.000 11.411 0 67  GLY AAA C   1 ? 
ATOM   584  O O   . GLY A 1 69  ? -4.703  12.185  24.568 1.000 12.017 0 67  GLY AAA O   1 ? 
ATOM   585  N N   . LYS A 1 70  ? -2.565  11.972  25.296 1.000 11.343 0 68  LYS AAA N   1 ? 
ATOM   586  C CA  . LYS A 1 70  ? -2.523  13.259  26.035 1.000 12.279 0 68  LYS AAA CA  1 ? 
ATOM   587  C C   . LYS A 1 70  ? -1.196  13.886  25.727 1.000 11.293 0 68  LYS AAA C   1 ? 
ATOM   588  O O   . LYS A 1 70  ? -0.164  13.181  25.574 1.000 12.939 0 68  LYS AAA O   1 ? 
ATOM   589  C CB  . LYS A 1 70  ? -2.648  13.017  27.537 1.000 14.754 0 68  LYS AAA CB  1 ? 
ATOM   590  C CG  . LYS A 1 70  ? -4.017  12.528  27.958 1.000 17.769 0 68  LYS AAA CG  1 ? 
ATOM   591  C CD  . LYS A 1 70  ? -4.187  12.267  29.428 1.000 22.434 0 68  LYS AAA CD  1 ? 
ATOM   592  C CE  . LYS A 1 70  ? -5.646  12.020  29.785 1.000 25.214 0 68  LYS AAA CE  1 ? 
ATOM   593  N NZ  . LYS A 1 70  ? -5.760  11.338  31.096 1.000 32.883 0 68  LYS AAA NZ  1 ? 
ATOM   594  N N   . CYS A 1 71  ? -1.146  15.212  25.749 1.000 11.003 0 69  CYS AAA N   1 ? 
ATOM   595  C CA  . CYS A 1 71  ? 0.117   15.940  25.862 1.000 11.177 0 69  CYS AAA CA  1 ? 
ATOM   596  C C   . CYS A 1 71  ? 0.033   16.900  27.029 1.000 11.567 0 69  CYS AAA C   1 ? 
ATOM   597  O O   . CYS A 1 71  ? -1.069  17.243  27.494 1.000 11.668 0 69  CYS AAA O   1 ? 
ATOM   598  C CB  . CYS A 1 71  ? 0.428   16.659  24.545 1.000 13.131 0 69  CYS AAA CB  1 ? 
ATOM   599  S SG  . CYS A 1 71  ? -0.658  18.046  24.090 1.000 12.619 0 69  CYS AAA SG  1 ? 
ATOM   600  N N   . TRP A 1 72  ? 1.199   17.300  27.490 1.000 10.644 0 70  TRP AAA N   1 ? 
ATOM   601  C CA  . TRP A 1 72  ? 1.349   18.239  28.624 1.000 12.406 0 70  TRP AAA CA  1 ? 
ATOM   602  C C   . TRP A 1 72  ? 2.225   19.389  28.160 1.000 11.550 0 70  TRP AAA C   1 ? 
ATOM   603  O O   . TRP A 1 72  ? 3.192   19.200  27.366 1.000 14.200 0 70  TRP AAA O   1 ? 
ATOM   604  C CB  . TRP A 1 72  ? 1.924   17.520  29.876 1.000 12.951 0 70  TRP AAA CB  1 ? 
ATOM   605  C CG  . TRP A 1 72  ? 1.012   16.489  30.423 1.000 14.726 0 70  TRP AAA CG  1 ? 
ATOM   606  C CD1 . TRP A 1 72  ? -0.021  16.720  31.263 1.000 15.974 0 70  TRP AAA CD1 1 ? 
ATOM   607  C CD2 . TRP A 1 72  ? 0.991   15.084  30.111 1.000 15.472 0 70  TRP AAA CD2 1 ? 
ATOM   608  N NE1 . TRP A 1 72  ? -0.677  15.539  31.519 1.000 16.999 0 70  TRP AAA NE1 1 ? 
ATOM   609  C CE2 . TRP A 1 72  ? -0.084  14.526  30.822 1.000 16.050 0 70  TRP AAA CE2 1 ? 
ATOM   610  C CE3 . TRP A 1 72  ? 1.778   14.256  29.336 1.000 17.202 0 70  TRP AAA CE3 1 ? 
ATOM   611  C CZ2 . TRP A 1 72  ? -0.408  13.177  30.749 1.000 18.156 0 70  TRP AAA CZ2 1 ? 
ATOM   612  C CZ3 . TRP A 1 72  ? 1.459   12.919  29.263 1.000 18.265 0 70  TRP AAA CZ3 1 ? 
ATOM   613  C CH2 . TRP A 1 72  ? 0.415   12.375  30.001 1.000 19.509 0 70  TRP AAA CH2 1 ? 
ATOM   614  N N   . TYR A 1 73  ? 1.964   20.575  28.689 1.000 11.071 0 71  TYR AAA N   1 ? 
ATOM   615  C CA  . TYR A 1 73  ? 2.713   21.809  28.335 1.000 10.950 0 71  TYR AAA CA  1 ? 
ATOM   616  C C   . TYR A 1 73  ? 2.913   22.577  29.629 1.000 10.694 0 71  TYR AAA C   1 ? 
ATOM   617  O O   . TYR A 1 73  ? 1.907   22.833  30.325 1.000 11.329 0 71  TYR AAA O   1 ? 
ATOM   618  C CB  . TYR A 1 73  ? 1.963   22.629  27.304 1.000 11.554 0 71  TYR AAA CB  1 ? 
ATOM   619  C CG  . TYR A 1 73  ? 2.827   23.765  26.842 1.000 11.054 0 71  TYR AAA CG  1 ? 
ATOM   620  C CD1 . TYR A 1 73  ? 3.820   23.555  25.887 1.000 12.162 0 71  TYR AAA CD1 1 ? 
ATOM   621  C CD2 . TYR A 1 73  ? 2.725   25.023  27.400 1.000 11.589 0 71  TYR AAA CD2 1 ? 
ATOM   622  C CE1 . TYR A 1 73  ? 4.699   24.551  25.533 1.000 12.838 0 71  TYR AAA CE1 1 ? 
ATOM   623  C CE2 . TYR A 1 73  ? 3.605   26.035  27.054 1.000 12.125 0 71  TYR AAA CE2 1 ? 
ATOM   624  C CZ  . TYR A 1 73  ? 4.584   25.803  26.104 1.000 12.811 0 71  TYR AAA CZ  1 ? 
ATOM   625  O OH  . TYR A 1 73  ? 5.480   26.805  25.790 1.000 13.547 0 71  TYR AAA OH  1 ? 
ATOM   626  N N   . ILE A 1 74  ? 4.115   22.985  29.901 1.000 10.934 0 72  ILE AAA N   1 ? 
ATOM   627  C CA  . ILE A 1 74  ? 4.440   23.746  31.127 1.000 11.599 0 72  ILE AAA CA  1 ? 
ATOM   628  C C   . ILE A 1 74  ? 4.578   25.191  30.790 1.000 10.696 0 72  ILE AAA C   1 ? 
ATOM   629  O O   . ILE A 1 74  ? 5.352   25.560  29.872 1.000 12.239 0 72  ILE AAA O   1 ? 
ATOM   630  C CB  . ILE A 1 74  ? 5.709   23.216  31.815 1.000 13.947 0 72  ILE AAA CB  1 ? 
ATOM   631  C CG1 . ILE A 1 74  ? 5.542   21.713  32.074 1.000 18.057 0 72  ILE AAA CG1 1 ? 
ATOM   632  C CG2 . ILE A 1 74  ? 6.077   24.026  33.065 1.000 17.083 0 72  ILE AAA CG2 1 ? 
ATOM   633  C CD1 . ILE A 1 74  ? 6.608   20.974  32.831 1.000 21.428 0 72  ILE AAA CD1 1 ? 
ATOM   634  N N   . HIS A 1 75  ? 3.891   26.064  31.544 1.000 10.861 0 73  HIS AAA N   1 ? 
ATOM   635  C CA  . HIS A 1 75  ? 4.027   27.513  31.364 1.000 10.738 0 73  HIS AAA CA  1 ? 
ATOM   636  C C   . HIS A 1 75  ? 4.021   28.177  32.722 1.000 10.840 0 73  HIS AAA C   1 ? 
ATOM   637  O O   . HIS A 1 75  ? 3.038   27.993  33.487 1.000 10.928 0 73  HIS AAA O   1 ? 
ATOM   638  C CB  . HIS A 1 75  ? 2.888   28.066  30.475 1.000 11.562 0 73  HIS AAA CB  1 ? 
ATOM   639  C CG  . HIS A 1 75  ? 3.188   29.463  30.038 1.000 13.027 0 73  HIS AAA CG  1 ? 
ATOM   640  N ND1 . HIS A 1 75  ? 2.539   30.634  30.445 1.000 18.059 0 73  HIS AAA ND1 1 ? 
ATOM   641  C CD2 . HIS A 1 75  ? 4.144   29.815  29.155 1.000 12.506 0 73  HIS AAA CD2 1 ? 
ATOM   642  C CE1 . HIS A 1 75  ? 3.142   31.629  29.756 1.000 14.330 0 73  HIS AAA CE1 1 ? 
ATOM   643  N NE2 . HIS A 1 75  ? 4.104   31.143  28.976 1.000 17.503 0 73  HIS AAA NE2 1 ? 
ATOM   644  N N   . ASP A 1 76  ? 5.086   28.927  33.018 1.000 10.618 0 74  ASP AAA N   1 ? 
ATOM   645  C CA  . ASP A 1 76  ? 5.230   29.554  34.367 1.000 11.251 0 74  ASP AAA CA  1 ? 
ATOM   646  C C   . ASP A 1 76  ? 5.049   28.514  35.466 1.000 11.417 0 74  ASP AAA C   1 ? 
ATOM   647  O O   . ASP A 1 76  ? 4.389   28.785  36.497 1.000 11.933 0 74  ASP AAA O   1 ? 
ATOM   648  C CB  . ASP A 1 76  ? 4.278   30.762  34.499 1.000 12.434 0 74  ASP AAA CB  1 ? 
ATOM   649  C CG  . ASP A 1 76  ? 4.540   31.907  33.529 1.000 15.119 0 74  ASP AAA CG  1 ? 
ATOM   650  O OD1 . ASP A 1 76  ? 5.645   32.019  32.986 1.000 16.486 0 74  ASP AAA OD1 1 ? 
ATOM   651  O OD2 . ASP A 1 76  ? 3.599   32.659  33.282 1.000 16.966 0 74  ASP AAA OD2 1 ? 
ATOM   652  N N   . LEU A 1 77  ? 5.635   27.342  35.235 1.000 11.601 0 75  LEU AAA N   1 ? 
ATOM   653  C CA  . LEU A 1 77  ? 5.707   26.187  36.131 1.000 12.090 0 75  LEU AAA CA  1 ? 
ATOM   654  C C   . LEU A 1 77  ? 4.387   25.430  36.252 1.000 12.522 0 75  LEU AAA C   1 ? 
ATOM   655  O O   . LEU A 1 77  ? 4.394   24.334  36.789 1.000 14.939 0 75  LEU AAA O   1 ? 
ATOM   656  C CB  . LEU A 1 77  ? 6.277   26.545  37.509 1.000 12.499 0 75  LEU AAA CB  1 ? 
ATOM   657  C CG  . LEU A 1 77  ? 7.732   26.979  37.516 1.000 11.762 0 75  LEU AAA CG  1 ? 
ATOM   658  C CD1 . LEU A 1 77  ? 8.103   27.469  38.907 1.000 12.947 0 75  LEU AAA CD1 1 ? 
ATOM   659  C CD2 . LEU A 1 77  ? 8.661   25.863  37.043 1.000 13.636 0 75  LEU AAA CD2 1 ? 
ATOM   660  N N   . LEU A 1 78  ? 3.269   25.929  35.756 1.000 11.630 0 76  LEU AAA N   1 ? 
ATOM   661  C CA  . LEU A 1 78  ? 2.011   25.177  35.797 1.000 11.564 0 76  LEU AAA CA  1 ? 
ATOM   662  C C   . LEU A 1 78  ? 1.957   24.228  34.603 1.000 11.388 0 76  LEU AAA C   1 ? 
ATOM   663  O O   . LEU A 1 78  ? 2.364   24.583  33.478 1.000 11.907 0 76  LEU AAA O   1 ? 
ATOM   664  C CB  . LEU A 1 78  ? 0.823   26.116  35.747 1.000 11.387 0 76  LEU AAA CB  1 ? 
ATOM   665  C CG  . LEU A 1 78  ? 0.649   27.056  36.954 1.000 12.846 0 76  LEU AAA CG  1 ? 
ATOM   666  C CD1 . LEU A 1 78  ? -0.451  28.061  36.718 1.000 14.074 0 76  LEU AAA CD1 1 ? 
ATOM   667  C CD2 . LEU A 1 78  ? 0.372   26.280  38.223 1.000 13.354 0 76  LEU AAA CD2 1 ? 
ATOM   668  N N   . LYS A 1 79  ? 1.426   23.037  34.851 1.000 11.424 0 77  LYS AAA N   1 ? 
ATOM   669  C CA  . LYS A 1 79  ? 1.316   21.991  33.805 1.000 11.997 0 77  LYS AAA CA  1 ? 
ATOM   670  C C   . LYS A 1 79  ? -0.110  21.886  33.267 1.000 12.631 0 77  LYS AAA C   1 ? 
ATOM   671  O O   . LYS A 1 79  ? -1.069  21.693  34.064 1.000 14.599 0 77  LYS AAA O   1 ? 
ATOM   672  C CB  . LYS A 1 79  ? 1.750   20.663  34.423 1.000 14.706 0 77  LYS AAA CB  1 ? 
ATOM   673  C CG  . LYS A 1 79  ? 1.783   19.493  33.444 1.000 16.554 0 77  LYS AAA CG  1 ? 
ATOM   674  C CD  . LYS A 1 79  ? 2.601   18.275  33.884 1.000 22.992 0 77  LYS AAA CD  1 ? 
ATOM   675  C CE  . LYS A 1 79  ? 2.126   17.646  35.169 1.000 32.395 0 77  LYS AAA CE  1 ? 
ATOM   676  N NZ  . LYS A 1 79  ? 2.887   16.401  35.449 1.000 36.955 0 77  LYS AAA NZ  1 ? 
ATOM   677  N N   . TYR A 1 80  ? -0.253  22.034  31.968 1.000 10.857 0 78  TYR AAA N   1 ? 
ATOM   678  C CA  . TYR A 1 80  ? -1.551  22.011  31.272 1.000 11.701 0 78  TYR AAA CA  1 ? 
ATOM   679  C C   . TYR A 1 80  ? -1.665  20.720  30.467 1.000 11.264 0 78  TYR AAA C   1 ? 
ATOM   680  O O   . TYR A 1 80  ? -0.696  20.356  29.741 1.000 14.621 0 78  TYR AAA O   1 ? 
ATOM   681  C CB  . TYR A 1 80  ? -1.633  23.197  30.309 1.000 11.645 0 78  TYR AAA CB  1 ? 
ATOM   682  C CG  . TYR A 1 80  ? -1.641  24.538  30.998 1.000 11.515 0 78  TYR AAA CG  1 ? 
ATOM   683  C CD1 . TYR A 1 80  ? -2.819  25.257  31.134 1.000 12.215 0 78  TYR AAA CD1 1 ? 
ATOM   684  C CD2 . TYR A 1 80  ? -0.483  25.116  31.467 1.000 11.270 0 78  TYR AAA CD2 1 ? 
ATOM   685  C CE1 . TYR A 1 80  ? -2.832  26.476  31.803 1.000 12.714 0 78  TYR AAA CE1 1 ? 
ATOM   686  C CE2 . TYR A 1 80  ? -0.479  26.349  32.124 1.000 11.382 0 78  TYR AAA CE2 1 ? 
ATOM   687  C CZ  . TYR A 1 80  ? -1.666  27.036  32.272 1.000 11.468 0 78  TYR AAA CZ  1 ? 
ATOM   688  O OH  . TYR A 1 80  ? -1.720  28.274  32.891 1.000 12.634 0 78  TYR AAA OH  1 ? 
ATOM   689  N N   . GLU A 1 81  ? -2.779  20.047  30.528 1.000 11.504 0 79  GLU AAA N   1 ? 
ATOM   690  C CA  . GLU A 1 81  ? -2.964  18.752  29.841 1.000 11.561 0 79  GLU AAA CA  1 ? 
ATOM   691  C C   . GLU A 1 81  ? -4.003  18.920  28.756 1.000 12.031 0 79  GLU AAA C   1 ? 
ATOM   692  O O   . GLU A 1 81  ? -5.041  19.596  28.966 1.000 12.554 0 79  GLU AAA O   1 ? 
ATOM   693  C CB  . GLU A 1 81  ? -3.475  17.742  30.872 1.000 12.797 0 79  GLU AAA CB  1 ? 
ATOM   694  C CG  . GLU A 1 81  ? -3.795  16.364  30.318 1.000 15.383 0 79  GLU AAA CG  1 ? 
ATOM   695  C CD  . GLU A 1 81  ? -4.261  15.360  31.363 1.000 17.117 0 79  GLU AAA CD  1 ? 
ATOM   696  O OE1 . GLU A 1 81  ? -3.473  14.996  32.232 1.000 19.069 0 79  GLU AAA OE1 1 ? 
ATOM   697  O OE2 . GLU A 1 81  ? -5.456  14.953  31.312 1.000 21.074 0 79  GLU AAA OE2 1 ? 
ATOM   698  N N   . PHE A 1 82  ? -3.768  18.343  27.590 1.000 10.983 0 80  PHE AAA N   1 ? 
ATOM   699  C CA  . PHE A 1 82  ? -4.725  18.354  26.457 1.000 11.233 0 80  PHE AAA CA  1 ? 
ATOM   700  C C   . PHE A 1 82  ? -4.827  16.942  25.883 1.000 11.276 0 80  PHE AAA C   1 ? 
ATOM   701  O O   . PHE A 1 82  ? -3.796  16.321  25.591 1.000 12.186 0 80  PHE AAA O   1 ? 
ATOM   702  C CB  . PHE A 1 82  ? -4.285  19.337  25.364 1.000 12.614 0 80  PHE AAA CB  1 ? 
ATOM   703  C CG  . PHE A 1 82  ? -3.952  20.717  25.886 1.000 12.024 0 80  PHE AAA CG  1 ? 
ATOM   704  C CD1 . PHE A 1 82  ? -4.945  21.673  26.063 1.000 14.113 0 80  PHE AAA CD1 1 ? 
ATOM   705  C CD2 . PHE A 1 82  ? -2.656  21.065  26.207 1.000 12.795 0 80  PHE AAA CD2 1 ? 
ATOM   706  C CE1 . PHE A 1 82  ? -4.653  22.932  26.599 1.000 14.870 0 80  PHE AAA CE1 1 ? 
ATOM   707  C CE2 . PHE A 1 82  ? -2.373  22.322  26.741 1.000 14.374 0 80  PHE AAA CE2 1 ? 
ATOM   708  C CZ  . PHE A 1 82  ? -3.361  23.244  26.932 1.000 14.015 0 80  PHE AAA CZ  1 ? 
ATOM   709  N N   . ASP A 1 83  ? -6.048  16.500  25.612 1.000 11.226 0 81  ASP AAA N   1 ? 
ATOM   710  C CA  . ASP A 1 83  ? -6.259  15.256  24.830 1.000 11.584 0 81  ASP AAA CA  1 ? 
ATOM   711  C C   . ASP A 1 83  ? -5.915  15.460  23.382 1.000 10.677 0 81  ASP AAA C   1 ? 
ATOM   712  O O   . ASP A 1 83  ? -6.216  16.502  22.838 1.000 11.822 0 81  ASP AAA O   1 ? 
ATOM   713  C CB  . ASP A 1 83  ? -7.696  14.801  25.050 1.000 14.078 0 81  ASP AAA CB  1 ? 
ATOM   714  C CG  . ASP A 1 83  ? -7.991  14.275  26.461 1.000 17.423 0 81  ASP AAA CG  1 ? 
ATOM   715  O OD1 . ASP A 1 83  ? -7.124  14.023  27.237 1.000 22.244 0 81  ASP AAA OD1 1 ? 
ATOM   716  O OD2 . ASP A 1 83  ? -9.204  13.986  26.695 1.000 29.802 0 81  ASP AAA OD2 1 ? 
ATOM   717  N N   . ILE A 1 84  ? -5.321  14.451  22.779 1.000 9.933  0 82  ILE AAA N   1 ? 
ATOM   718  C CA  . ILE A 1 84  ? -4.953  14.494  21.351 1.000 10.951 0 82  ILE AAA CA  1 ? 
ATOM   719  C C   . ILE A 1 84  ? -5.391  13.211  20.666 1.000 9.696  0 82  ILE AAA C   1 ? 
ATOM   720  O O   . ILE A 1 84  ? -5.570  12.163  21.313 1.000 10.842 0 82  ILE AAA O   1 ? 
ATOM   721  C CB  . ILE A 1 84  ? -3.447  14.711  21.176 1.000 10.738 0 82  ILE AAA CB  1 ? 
ATOM   722  C CG1 . ILE A 1 84  ? -2.609  13.554  21.781 1.000 11.949 0 82  ILE AAA CG1 1 ? 
ATOM   723  C CG2 . ILE A 1 84  ? -3.015  16.062  21.777 1.000 12.380 0 82  ILE AAA CG2 1 ? 
ATOM   724  C CD1 . ILE A 1 84  ? -1.127  13.688  21.544 1.000 12.307 0 82  ILE AAA CD1 1 ? 
ATOM   725  N N   . GLU A 1 85  ? -5.609  13.287  19.360 1.000 10.673 0 83  GLU AAA N   1 ? 
ATOM   726  C CA  . GLU A 1 85  ? -6.017  12.101  18.574 1.000 11.153 0 83  GLU AAA CA  1 ? 
ATOM   727  C C   . GLU A 1 85  ? -5.631  12.344  17.120 1.000 10.779 0 83  GLU AAA C   1 ? 
ATOM   728  O O   . GLU A 1 85  ? -5.546  13.499  16.650 1.000 11.765 0 83  GLU AAA O   1 ? 
ATOM   729  C CB  . GLU A 1 85  ? -7.506  11.824  18.750 1.000 12.845 0 83  GLU AAA CB  1 ? 
ATOM   730  C CG  . GLU A 1 85  ? -8.400  12.938  18.205 1.000 14.399 0 83  GLU AAA CG  1 ? 
ATOM   731  C CD  . GLU A 1 85  ? -9.884  12.712  18.498 1.000 17.001 0 83  GLU AAA CD  1 ? 
ATOM   732  O OE1 . GLU A 1 85  ? -10.257 12.518  19.604 1.000 20.116 0 83  GLU AAA OE1 1 ? 
ATOM   733  O OE2 . GLU A 1 85  ? -10.672 12.820  17.550 1.000 26.933 0 83  GLU AAA OE2 1 ? 
ATOM   734  N N   . PHE A 1 86  ? -5.487  11.259  16.350 1.000 10.522 0 84  PHE AAA N   1 ? 
ATOM   735  C CA  . PHE A 1 86  ? -5.342  11.334  14.909 1.000 10.599 0 84  PHE AAA CA  1 ? 
ATOM   736  C C   . PHE A 1 86  ? -5.584  9.977   14.292 1.000 10.267 0 84  PHE AAA C   1 ? 
ATOM   737  O O   . PHE A 1 86  ? -5.378  8.938   14.904 1.000 11.915 0 84  PHE AAA O   1 ? 
ATOM   738  C CB  . PHE A 1 86  ? -3.975  11.886  14.493 1.000 11.213 0 84  PHE AAA CB  1 ? 
ATOM   739  C CG  . PHE A 1 86  ? -2.776  11.195  15.095 1.000 10.912 0 84  PHE AAA CG  1 ? 
ATOM   740  C CD1 . PHE A 1 86  ? -2.177  10.099  14.492 1.000 10.998 0 84  PHE AAA CD1 1 ? 
ATOM   741  C CD2 . PHE A 1 86  ? -2.257  11.632  16.304 1.000 11.502 0 84  PHE AAA CD2 1 ? 
ATOM   742  C CE1 . PHE A 1 86  ? -1.065  9.511   15.041 1.000 11.380 0 84  PHE AAA CE1 1 ? 
ATOM   743  C CE2 . PHE A 1 86  ? -1.160  11.021  16.848 1.000 12.153 0 84  PHE AAA CE2 1 ? 
ATOM   744  C CZ  . PHE A 1 86  ? -0.564  9.979   16.201 1.000 11.563 0 84  PHE AAA CZ  1 ? 
ATOM   745  N N   . ASP A 1 87  ? -5.974  9.998   13.029 1.000 10.983 0 85  ASP AAA N   1 ? 
ATOM   746  C CA  . ASP A 1 87  ? -6.043  8.782   12.182 1.000 12.207 0 85  ASP AAA CA  1 ? 
ATOM   747  C C   . ASP A 1 87  ? -4.805  8.674   11.311 1.000 10.822 0 85  ASP AAA C   1 ? 
ATOM   748  O O   . ASP A 1 87  ? -4.143  9.689   10.983 1.000 12.420 0 85  ASP AAA O   1 ? 
ATOM   749  C CB  . ASP A 1 87  ? -7.281  8.721   11.285 1.000 18.710 0 85  ASP AAA CB  1 ? 
ATOM   750  C CG  . ASP A 1 87  ? -8.589  9.336   11.723 1.000 28.345 0 85  ASP AAA CG  1 ? 
ATOM   751  O OD1 . ASP A 1 87  ? -8.931  9.226   12.892 1.000 35.135 0 85  ASP AAA OD1 1 ? 
ATOM   752  O OD2 . ASP A 1 87  ? -9.271  9.927   10.818 1.000 36.966 0 85  ASP AAA OD2 1 ? 
ATOM   753  N N   . ILE A 1 88  ? -4.493  7.453   10.904 1.000 11.407 0 86  ILE AAA N   1 ? 
ATOM   754  C CA  . ILE A 1 88  ? -3.386  7.225   9.937  1.000 11.038 0 86  ILE AAA CA  1 ? 
ATOM   755  C C   . ILE A 1 88  ? -3.942  7.254   8.532  1.000 11.466 0 86  ILE AAA C   1 ? 
ATOM   756  O O   . ILE A 1 88  ? -4.809  6.445   8.210  1.000 12.956 0 86  ILE AAA O   1 ? 
ATOM   757  C CB  . ILE A 1 88  ? -2.674  5.886   10.185 1.000 10.675 0 86  ILE AAA CB  1 ? 
ATOM   758  C CG1 . ILE A 1 88  ? -2.117  5.801   11.614 1.000 10.875 0 86  ILE AAA CG1 1 ? 
ATOM   759  C CG2 . ILE A 1 88  ? -1.621  5.652   9.126  1.000 11.811 0 86  ILE AAA CG2 1 ? 
ATOM   760  C CD1 . ILE A 1 88  ? -1.064  6.864   11.967 1.000 11.992 0 86  ILE AAA CD1 1 ? 
ATOM   761  N N   . PRO A 1 89  ? -3.510  8.201   7.679  1.000 12.424 0 87  PRO AAA N   1 ? 
ATOM   762  C CA  . PRO A 1 89  ? -3.964  8.222   6.293  1.000 14.055 0 87  PRO AAA CA  1 ? 
ATOM   763  C C   . PRO A 1 89  ? -3.629  6.922   5.548  1.000 12.314 0 87  PRO AAA C   1 ? 
ATOM   764  O O   . PRO A 1 89  ? -2.618  6.288   5.794  1.000 11.696 0 87  PRO AAA O   1 ? 
ATOM   765  C CB  . PRO A 1 89  ? -3.222  9.413   5.674  1.000 15.271 0 87  PRO AAA CB  1 ? 
ATOM   766  C CG  . PRO A 1 89  ? -2.634  10.207  6.774  1.000 16.975 0 87  PRO AAA CG  1 ? 
ATOM   767  C CD  . PRO A 1 89  ? -2.550  9.268   7.969  1.000 13.004 0 87  PRO AAA CD  1 ? 
ATOM   768  N N   . ILE A 1 90  ? -4.460  6.576   4.553  1.000 12.835 0 88  ILE AAA N   1 ? 
ATOM   769  C CA  . ILE A 1 90  ? -4.187  5.361   3.740  1.000 13.646 0 88  ILE AAA CA  1 ? 
ATOM   770  C C   . ILE A 1 90  ? -2.824  5.454   3.059  1.000 11.974 0 88  ILE AAA C   1 ? 
ATOM   771  O O   . ILE A 1 90  ? -2.167  4.443   2.946  1.000 13.800 0 88  ILE AAA O   1 ? 
ATOM   772  C CB  . ILE A 1 90  ? -5.299  5.186   2.696  1.000 15.998 0 88  ILE AAA CB  1 ? 
ATOM   773  C CG1 . ILE A 1 90  ? -6.655  4.971   3.379  1.000 18.898 0 88  ILE AAA CG1 1 ? 
ATOM   774  C CG2 . ILE A 1 90  ? -4.926  4.122   1.715  1.000 17.865 0 88  ILE AAA CG2 1 ? 
ATOM   775  C CD1 . ILE A 1 90  ? -6.728  3.794   4.313  1.000 21.901 0 88  ILE AAA CD1 1 ? 
ATOM   776  N N   . THR A 1 91  ? -2.398  6.658   2.636  1.000 11.950 0 89  THR AAA N   1 ? 
ATOM   777  C CA  . THR A 1 91  ? -1.105  6.905   1.926  1.000 12.451 0 89  THR AAA CA  1 ? 
ATOM   778  C C   . THR A 1 91  ? 0.038   7.273   2.865  1.000 10.364 0 89  THR AAA C   1 ? 
ATOM   779  O O   . THR A 1 91  ? 1.105   7.639   2.391  1.000 11.863 0 89  THR AAA O   1 ? 
ATOM   780  C CB  . THR A 1 91  ? -1.291  7.963   0.848  1.000 13.481 0 89  THR AAA CB  1 ? 
ATOM   781  O OG1 . THR A 1 91  ? -1.842  9.086   1.457  1.000 15.120 0 89  THR AAA OG1 1 ? 
ATOM   782  C CG2 . THR A 1 91  ? -2.227  7.502   -0.256 1.000 14.567 0 89  THR AAA CG2 1 ? 
ATOM   783  N N   . TYR A 1 92  ? -0.144  7.049   4.167  1.000 10.822 0 90  TYR AAA N   1 ? 
ATOM   784  C CA  . TYR A 1 92  ? 0.985   7.051   5.119  1.000 10.653 0 90  TYR AAA CA  1 ? 
ATOM   785  C C   . TYR A 1 92  ? 2.019   6.029   4.669  1.000 10.755 0 90  TYR AAA C   1 ? 
ATOM   786  O O   . TYR A 1 92  ? 1.605   4.959   4.182  1.000 12.498 0 90  TYR AAA O   1 ? 
ATOM   787  C CB  . TYR A 1 92  ? 0.412   6.748   6.513  1.000 10.948 0 90  TYR AAA CB  1 ? 
ATOM   788  C CG  . TYR A 1 92  ? 1.402   6.912   7.648  1.000 10.683 0 90  TYR AAA CG  1 ? 
ATOM   789  C CD1 . TYR A 1 92  ? 1.724   8.174   8.127  1.000 10.490 0 90  TYR AAA CD1 1 ? 
ATOM   790  C CD2 . TYR A 1 92  ? 2.041   5.818   8.216  1.000 10.799 0 90  TYR AAA CD2 1 ? 
ATOM   791  C CE1 . TYR A 1 92  ? 2.633   8.355   9.162  1.000 10.095 0 90  TYR AAA CE1 1 ? 
ATOM   792  C CE2 . TYR A 1 92  ? 2.962   5.973   9.248  1.000 10.557 0 90  TYR AAA CE2 1 ? 
ATOM   793  C CZ  . TYR A 1 92  ? 3.254   7.248   9.724  1.000 10.317 0 90  TYR AAA CZ  1 ? 
ATOM   794  O OH  . TYR A 1 92  ? 4.166   7.491   10.720 1.000 10.182 0 90  TYR AAA OH  1 ? 
ATOM   795  N N   . PRO A 1 93  ? 3.325   6.220   4.804  1.000 11.132 0 91  PRO AAA N   1 ? 
ATOM   796  C CA  . PRO A 1 93  ? 3.944   7.333   5.532  1.000 10.633 0 91  PRO AAA CA  1 ? 
ATOM   797  C C   . PRO A 1 93  ? 4.360   8.484   4.610  1.000 11.206 0 91  PRO AAA C   1 ? 
ATOM   798  O O   . PRO A 1 93  ? 5.068   9.422   5.071  1.000 11.729 0 91  PRO AAA O   1 ? 
ATOM   799  C CB  . PRO A 1 93  ? 5.200   6.646   6.147  1.000 11.614 0 91  PRO AAA CB  1 ? 
ATOM   800  C CG  . PRO A 1 93  ? 5.627   5.645   5.090  1.000 12.775 0 91  PRO AAA CG  1 ? 
ATOM   801  C CD  . PRO A 1 93  ? 4.292   5.127   4.585  1.000 12.679 0 91  PRO AAA CD  1 ? 
ATOM   802  N N   . THR A 1 94  ? 4.030   8.422   3.314  1.000 10.909 0 92  THR AAA N   1 ? 
ATOM   803  C CA  . THR A 1 94  ? 4.336   9.524   2.398  1.000 12.585 0 92  THR AAA CA  1 ? 
ATOM   804  C C   . THR A 1 94  ? 3.511   10.732  2.756  1.000 11.643 0 92  THR AAA C   1 ? 
ATOM   805  O O   . THR A 1 94  ? 4.028   11.909  2.664  1.000 14.400 0 92  THR AAA O   1 ? 
ATOM   806  C CB  . THR A 1 94  ? 4.259   9.059   0.936  1.000 11.896 0 92  THR AAA CB  1 ? 
ATOM   807  O OG1 . THR A 1 94  ? 5.108   7.963   0.760  1.000 13.930 0 92  THR AAA OG1 1 ? 
ATOM   808  C CG2 . THR A 1 94  ? 4.704   10.112  -0.056 1.000 14.114 0 92  THR AAA CG2 1 ? 
ATOM   809  N N   . THR A 1 95  ? 2.276   10.593  3.139  1.000 11.391 0 93  THR AAA N   1 ? 
ATOM   810  C CA  . THR A 1 95  ? 1.401   11.630  3.665  1.000 12.885 0 93  THR AAA CA  1 ? 
ATOM   811  C C   . THR A 1 95  ? 1.507   11.699  5.194  1.000 12.220 0 93  THR AAA C   1 ? 
ATOM   812  O O   . THR A 1 95  ? 1.553   10.614  5.825  1.000 14.674 0 93  THR AAA O   1 ? 
ATOM   813  C CB  . THR A 1 95  ? -0.055  11.295  3.273  1.000 14.356 0 93  THR AAA CB  1 ? 
ATOM   814  O OG1 . THR A 1 95  ? -0.164  11.213  1.828  1.000 16.666 0 93  THR AAA OG1 1 ? 
ATOM   815  C CG2 . THR A 1 95  ? -1.041  12.324  3.780  1.000 17.167 0 93  THR AAA CG2 1 ? 
ATOM   816  N N   . ALA A 1 96  ? 1.539   12.870  5.797  1.000 11.814 0 94  ALA AAA N   1 ? 
ATOM   817  C CA  . ALA A 1 96  ? 1.640   12.981  7.264  1.000 12.078 0 94  ALA AAA CA  1 ? 
ATOM   818  C C   . ALA A 1 96  ? 0.251   12.969  7.871  1.000 11.389 0 94  ALA AAA C   1 ? 
ATOM   819  O O   . ALA A 1 96  ? -0.721  13.573  7.363  1.000 12.681 0 94  ALA AAA O   1 ? 
ATOM   820  C CB  . ALA A 1 96  ? 2.340   14.277  7.612  1.000 13.320 0 94  ALA AAA CB  1 ? 
ATOM   821  N N   . PRO A 1 97  ? 0.067   12.348  9.043  1.000 11.489 0 95  PRO AAA N   1 ? 
ATOM   822  C CA  . PRO A 1 97  ? -1.199  12.406  9.782  1.000 11.656 0 95  PRO AAA CA  1 ? 
ATOM   823  C C   . PRO A 1 97  ? -1.500  13.836  10.266 1.000 11.892 0 95  PRO AAA C   1 ? 
ATOM   824  O O   . PRO A 1 97  ? -0.534  14.612  10.464 1.000 13.591 0 95  PRO AAA O   1 ? 
ATOM   825  C CB  . PRO A 1 97  ? -0.970  11.486  10.990 1.000 12.542 0 95  PRO AAA CB  1 ? 
ATOM   826  C CG  . PRO A 1 97  ? 0.189   10.620  10.578 1.000 12.644 0 95  PRO AAA CG  1 ? 
ATOM   827  C CD  . PRO A 1 97  ? 1.050   11.535  9.773  1.000 11.813 0 95  PRO AAA CD  1 ? 
ATOM   828  N N   . GLU A 1 98  ? -2.763  14.088  10.529 1.000 11.578 0 96  GLU AAA N   1 ? 
ATOM   829  C CA  . GLU A 1 98  ? -3.258  15.404  11.001 1.000 13.436 0 96  GLU AAA CA  1 ? 
ATOM   830  C C   . GLU A 1 98  ? -3.650  15.334  12.478 1.000 12.561 0 96  GLU AAA C   1 ? 
ATOM   831  O O   . GLU A 1 98  ? -4.705  14.808  12.804 1.000 12.756 0 96  GLU AAA O   1 ? 
ATOM   832  C CB  . GLU A 1 98  ? -4.434  15.884  10.167 1.000 14.581 0 96  GLU AAA CB  1 ? 
ATOM   833  C CG  . GLU A 1 98  ? -4.120  16.052  8.687  1.000 17.168 0 96  GLU AAA CG  1 ? 
ATOM   834  C CD  . GLU A 1 98  ? -5.360  16.426  7.888  1.000 20.193 0 96  GLU AAA CD  1 ? 
ATOM   835  O OE1 . GLU A 1 98  ? -6.325  15.671  7.894  1.000 23.299 0 96  GLU AAA OE1 1 ? 
ATOM   836  O OE2 . GLU A 1 98  ? -5.297  17.445  7.215  1.000 30.102 0 96  GLU AAA OE2 1 ? 
ATOM   837  N N   . ILE A 1 99  ? -2.776  15.815  13.349 1.000 12.192 0 97  ILE AAA N   1 ? 
ATOM   838  C CA  . ILE A 1 99  ? -3.080  15.792  14.808 1.000 12.028 0 97  ILE AAA CA  1 ? 
ATOM   839  C C   . ILE A 1 99  ? -4.234  16.727  15.121 1.000 11.991 0 97  ILE AAA C   1 ? 
ATOM   840  O O   . ILE A 1 99  ? -4.219  17.906  14.644 1.000 13.478 0 97  ILE AAA O   1 ? 
ATOM   841  C CB  . ILE A 1 99  ? -1.831  16.139  15.618 1.000 12.724 0 97  ILE AAA CB  1 ? 
ATOM   842  C CG1 . ILE A 1 99  ? -0.790  15.014  15.437 1.000 13.811 0 97  ILE AAA CG1 1 ? 
ATOM   843  C CG2 . ILE A 1 99  ? -2.162  16.376  17.078 1.000 14.291 0 97  ILE AAA CG2 1 ? 
ATOM   844  C CD1 . ILE A 1 99  ? 0.552   15.348  16.015 1.000 15.866 0 97  ILE AAA CD1 1 ? 
ATOM   845  N N   . ALA A 1 100 ? -5.142  16.297  15.945 1.000 11.681 0 98  ALA AAA N   1 ? 
ATOM   846  C CA  . ALA A 1 100 ? -6.239  17.094  16.497 1.000 12.196 0 98  ALA AAA CA  1 ? 
ATOM   847  C C   . ALA A 1 100 ? -6.083  17.241  18.006 1.000 11.946 0 98  ALA AAA C   1 ? 
ATOM   848  O O   . ALA A 1 100 ? -5.657  16.280  18.704 1.000 12.037 0 98  ALA AAA O   1 ? 
ATOM   849  C CB  . ALA A 1 100 ? -7.568  16.457  16.166 1.000 13.208 0 98  ALA AAA CB  1 ? 
ATOM   850  N N   . VAL A 1 101 ? -6.433  18.423  18.492 1.000 12.040 0 99  VAL AAA N   1 ? 
ATOM   851  C CA  . VAL A 1 101 ? -6.490  18.731  19.923 1.000 11.911 0 99  VAL AAA CA  1 ? 
ATOM   852  C C   . VAL A 1 101 ? -7.913  19.219  20.135 1.000 12.671 0 99  VAL AAA C   1 ? 
ATOM   853  O O   . VAL A 1 101 ? -8.194  20.441  20.110 1.000 12.554 0 99  VAL AAA O   1 ? 
ATOM   854  C CB  . VAL A 1 101 ? -5.468  19.806  20.354 1.000 11.820 0 99  VAL AAA CB  1 ? 
ATOM   855  C CG1 . VAL A 1 101 ? -5.467  19.979  21.852 1.000 13.623 0 99  VAL AAA CG1 1 ? 
ATOM   856  C CG2 . VAL A 1 101 ? -4.095  19.445  19.838 1.000 12.717 0 99  VAL AAA CG2 1 ? 
ATOM   857  N N   . PRO A 1 102 ? -8.865  18.292  20.308 1.000 12.300 0 100 PRO AAA N   1 ? 
ATOM   858  C CA  . PRO A 1 102 ? -10.289 18.672  20.212 1.000 14.626 0 100 PRO AAA CA  1 ? 
ATOM   859  C C   . PRO A 1 102 ? -10.723 19.763  21.190 1.000 13.877 0 100 PRO AAA C   1 ? 
ATOM   860  O O   . PRO A 1 102 ? -11.624 20.553  20.794 1.000 15.579 0 100 PRO AAA O   1 ? 
ATOM   861  C CB  . PRO A 1 102 ? -11.036 17.358  20.415 1.000 15.537 0 100 PRO AAA CB  1 ? 
ATOM   862  C CG  . PRO A 1 102 ? -10.027 16.302  19.917 1.000 16.347 0 100 PRO AAA CG  1 ? 
ATOM   863  C CD  . PRO A 1 102 ? -8.693  16.829  20.382 1.000 13.789 0 100 PRO AAA CD  1 ? 
ATOM   864  N N   . GLU A 1 103 ? -10.184 19.827  22.383 1.000 13.962 0 101 GLU AAA N   1 ? 
ATOM   865  C CA  . GLU A 1 103 ? -10.647 20.855  23.339 1.000 15.513 0 101 GLU AAA CA  1 ? 
ATOM   866  C C   . GLU A 1 103 ? -10.323 22.244  22.838 1.000 14.784 0 101 GLU AAA C   1 ? 
ATOM   867  O O   . GLU A 1 103 ? -11.029 23.208  23.298 1.000 17.188 0 101 GLU AAA O   1 ? 
ATOM   868  C CB  . GLU A 1 103 ? -10.132 20.639  24.738 1.000 18.319 0 101 GLU AAA CB  1 ? 
ATOM   869  C CG  . GLU A 1 103 ? -8.658  20.586  24.916 1.000 23.017 0 101 GLU AAA CG  1 ? 
ATOM   870  C CD  . GLU A 1 103 ? -8.305  19.787  26.184 1.000 24.560 0 101 GLU AAA CD  1 ? 
ATOM   871  O OE1 . GLU A 1 103 ? -8.177  18.483  26.160 1.000 19.762 0 101 GLU AAA OE1 1 ? 
ATOM   872  O OE2 . GLU A 1 103 ? -8.333  20.450  27.268 1.000 29.956 0 101 GLU AAA OE2 1 ? 
ATOM   873  N N   . LEU A 1 104 ? -9.388  22.412  21.934 1.000 13.511 0 102 LEU AAA N   1 ? 
ATOM   874  C CA  . LEU A 1 104 ? -9.050  23.769  21.435 1.000 12.901 0 102 LEU AAA CA  1 ? 
ATOM   875  C C   . LEU A 1 104 ? -9.770  24.133  20.146 1.000 13.238 0 102 LEU AAA C   1 ? 
ATOM   876  O O   . LEU A 1 104 ? -9.492  25.212  19.645 1.000 13.919 0 102 LEU AAA O   1 ? 
ATOM   877  C CB  . LEU A 1 104 ? -7.528  23.844  21.267 1.000 14.453 0 102 LEU AAA CB  1 ? 
ATOM   878  C CG  . LEU A 1 104 ? -6.733  23.654  22.564 1.000 13.667 0 102 LEU AAA CG  1 ? 
ATOM   879  C CD1 . LEU A 1 104 ? -5.230  23.778  22.344 1.000 15.843 0 102 LEU AAA CD1 1 ? 
ATOM   880  C CD2 . LEU A 1 104 ? -7.185  24.579  23.699 1.000 15.955 0 102 LEU AAA CD2 1 ? 
ATOM   881  N N   . ASP A 1 105 ? -10.685 23.304  19.661 1.000 12.995 0 103 ASP AAA N   1 ? 
ATOM   882  C CA  . ASP A 1 105 ? -11.487 23.620  18.467 1.000 13.842 0 103 ASP AAA CA  1 ? 
ATOM   883  C C   . ASP A 1 105 ? -12.130 25.009  18.672 1.000 13.494 0 103 ASP AAA C   1 ? 
ATOM   884  O O   . ASP A 1 105 ? -12.779 25.247  19.708 1.000 13.496 0 103 ASP AAA O   1 ? 
ATOM   885  C CB  . ASP A 1 105 ? -12.544 22.554  18.215 1.000 14.184 0 103 ASP AAA CB  1 ? 
ATOM   886  C CG  . ASP A 1 105 ? -13.372 22.686  16.950 1.000 14.572 0 103 ASP AAA CG  1 ? 
ATOM   887  O OD1 . ASP A 1 105 ? -12.994 23.441  16.068 1.000 17.548 0 103 ASP AAA OD1 1 ? 
ATOM   888  O OD2 . ASP A 1 105 ? -14.474 22.028  16.902 1.000 15.571 0 103 ASP AAA OD2 1 ? 
ATOM   889  N N   . GLY A 1 106 ? -11.913 25.877  17.714 1.000 14.759 0 104 GLY AAA N   1 ? 
ATOM   890  C CA  . GLY A 1 106 ? -12.464 27.236  17.770 1.000 16.892 0 104 GLY AAA CA  1 ? 
ATOM   891  C C   . GLY A 1 106 ? -11.702 28.200  18.638 1.000 16.664 0 104 GLY AAA C   1 ? 
ATOM   892  O O   . GLY A 1 106 ? -12.154 29.381  18.774 1.000 18.355 0 104 GLY AAA O   1 ? 
ATOM   893  N N   . LYS A 1 107 ? -10.580 27.834  19.227 1.000 16.220 0 105 LYS AAA N   1 ? 
ATOM   894  C CA  . LYS A 1 107 ? -9.910  28.663  20.260 1.000 16.326 0 105 LYS AAA CA  1 ? 
ATOM   895  C C   . LYS A 1 107 ? -8.594  29.255  19.755 1.000 16.677 0 105 LYS AAA C   1 ? 
ATOM   896  O O   . LYS A 1 107 ? -8.158  30.264  20.311 1.000 17.962 0 105 LYS AAA O   1 ? 
ATOM   897  C CB  . LYS A 1 107 ? -9.691  27.886  21.545 1.000 16.991 0 105 LYS AAA CB  1 ? 
ATOM   898  C CG  . LYS A 1 107 ? -11.002 27.431  22.157 1.000 17.371 0 105 LYS AAA CG  1 ? 
ATOM   899  C CD  . LYS A 1 107 ? -10.921 26.854  23.491 1.000 19.101 0 105 LYS AAA CD  1 ? 
ATOM   900  C CE  . LYS A 1 107 ? -12.247 26.246  23.899 1.000 21.777 0 105 LYS AAA CE  1 ? 
ATOM   901  N NZ  . LYS A 1 107 ? -12.120 25.423  25.108 1.000 23.230 0 105 LYS AAA NZ  1 ? 
ATOM   902  N N   . SER A 1 108 ? -7.961  28.682  18.736 1.000 19.991 0 106 SER AAA N   1 ? 
ATOM   903  C CA  . SER A 1 108 ? -6.709  29.180  18.094 1.000 18.660 0 106 SER AAA CA  1 ? 
ATOM   904  C C   . SER A 1 108 ? -7.010  29.486  16.629 1.000 19.064 0 106 SER AAA C   1 ? 
ATOM   905  O O   . SER A 1 108 ? -7.616  28.635  15.971 1.000 20.407 0 106 SER AAA O   1 ? 
ATOM   906  C CB  . SER A 1 108 ? -5.649  28.159  18.252 1.000 19.610 0 106 SER AAA CB  1 ? 
ATOM   907  O OG  . SER A 1 108 ? -4.511  28.487  17.434 1.000 20.403 0 106 SER AAA OG  1 ? 
ATOM   908  N N   . ALA A 1 109 ? -6.500  30.583  16.096 1.000 18.368 0 107 ALA AAA N   1 ? 
ATOM   909  C CA  . ALA A 1 109 ? -6.485  30.884  14.651 1.000 21.120 0 107 ALA AAA CA  1 ? 
ATOM   910  C C   . ALA A 1 109 ? -5.566  29.898  13.916 1.000 17.284 0 107 ALA AAA C   1 ? 
ATOM   911  O O   . ALA A 1 109 ? -5.704  29.774  12.684 1.000 19.776 0 107 ALA AAA O   1 ? 
ATOM   912  C CB  . ALA A 1 109 ? -6.070  32.295  14.411 1.000 25.161 0 107 ALA AAA CB  1 ? 
ATOM   913  N N   . LYS A 1 110 ? -4.646  29.225  14.610 1.000 15.501 0 108 LYS AAA N   1 ? 
ATOM   914  C CA  . LYS A 1 110 ? -3.723  28.263  13.952 1.000 14.907 0 108 LYS AAA CA  1 ? 
ATOM   915  C C   . LYS A 1 110 ? -4.268  26.847  14.045 1.000 14.067 0 108 LYS AAA C   1 ? 
ATOM   916  O O   . LYS A 1 110 ? -3.555  25.896  14.471 1.000 12.703 0 108 LYS AAA O   1 ? 
ATOM   917  C CB  . LYS A 1 110 ? -2.321  28.409  14.544 1.000 16.095 0 108 LYS AAA CB  1 ? 
ATOM   918  C CG  . LYS A 1 110 ? -1.666  29.773  14.276 1.000 18.723 0 108 LYS AAA CG  1 ? 
ATOM   919  C CD  . LYS A 1 110 ? -1.850  30.291  12.874 1.000 23.299 0 108 LYS AAA CD  1 ? 
ATOM   920  C CE  . LYS A 1 110 ? -0.981  31.461  12.449 1.000 30.394 0 108 LYS AAA CE  1 ? 
ATOM   921  N NZ  . LYS A 1 110 ? -0.604  32.318  13.592 1.000 35.622 0 108 LYS AAA NZ  1 ? 
ATOM   922  N N   . MET A 1 111 ? -5.469  26.673  13.529 1.000 16.205 0 109 MET AAA N   1 ? 
ATOM   923  C CA  . MET A 1 111 ? -6.173  25.389  13.568 1.000 16.424 0 109 MET AAA CA  1 ? 
ATOM   924  C C   . MET A 1 111 ? -7.224  25.388  12.502 1.000 18.781 0 109 MET AAA C   1 ? 
ATOM   925  O O   . MET A 1 111 ? -7.705  26.496  12.055 1.000 22.704 0 109 MET AAA O   1 ? 
ATOM   926  C CB  . MET A 1 111 ? -6.944  25.265  14.860 1.000 21.170 0 109 MET AAA CB  1 ? 
ATOM   927  C CG  . MET A 1 111 ? -6.170  25.159  16.078 1.000 20.723 0 109 MET AAA CG  1 ? 
ATOM   928  S SD  . MET A 1 111 ? -7.183  24.966  17.533 1.000 25.489 0 109 MET AAA SD  1 ? 
ATOM   929  C CE  . MET A 1 111 ? -7.704  23.334  17.367 1.000 16.640 0 109 MET AAA CE  1 ? 
ATOM   930  N N   . TYR A 1 112 ? -7.644  24.254  12.116 1.000 18.245 0 110 TYR AAA N   1 ? 
ATOM   931  C CA  . TYR A 1 112 ? -8.732  24.082  11.153 1.000 20.071 0 110 TYR AAA CA  1 ? 
ATOM   932  C C   . TYR A 1 112 ? -9.991  23.846  11.992 1.000 21.923 0 110 TYR AAA C   1 ? 
ATOM   933  O O   . TYR A 1 112 ? -9.932  23.404  13.199 1.000 20.067 0 110 TYR AAA O   1 ? 
ATOM   934  C CB  . TYR A 1 112 ? -8.333  22.961  10.202 1.000 21.024 0 110 TYR AAA CB  1 ? 
ATOM   935  C CG  . TYR A 1 112 ? -7.011  23.107  9.495  1.000 22.109 0 110 TYR AAA CG  1 ? 
ATOM   936  C CD1 . TYR A 1 112 ? -6.830  24.032  8.469  1.000 26.286 0 110 TYR AAA CD1 1 ? 
ATOM   937  C CD2 . TYR A 1 112 ? -5.945  22.281  9.806  1.000 23.874 0 110 TYR AAA CD2 1 ? 
ATOM   938  C CE1 . TYR A 1 112 ? -5.612  24.123  7.797  1.000 25.657 0 110 TYR AAA CE1 1 ? 
ATOM   939  C CE2 . TYR A 1 112 ? -4.730  22.350  9.140  1.000 27.050 0 110 TYR AAA CE2 1 ? 
ATOM   940  C CZ  . TYR A 1 112 ? -4.556  23.294  8.145  1.000 27.169 0 110 TYR AAA CZ  1 ? 
ATOM   941  O OH  . TYR A 1 112 ? -3.335  23.332  7.495  1.000 33.899 0 110 TYR AAA OH  1 ? 
ATOM   942  N N   . ARG A 1 113 ? -11.147 24.043  11.345 1.000 27.504 0 111 ARG AAA N   1 ? 
ATOM   943  C CA  . ARG A 1 113 ? -12.461 23.697  11.934 1.000 28.663 0 111 ARG AAA CA  1 ? 
ATOM   944  C C   . ARG A 1 113 ? -12.391 22.227  12.300 1.000 28.589 0 111 ARG AAA C   1 ? 
ATOM   945  O O   . ARG A 1 113 ? -11.965 21.405  11.462 1.000 32.358 0 111 ARG AAA O   1 ? 
ATOM   946  C CB  . ARG A 1 113 ? -13.628 23.978  10.974 1.000 33.974 0 111 ARG AAA CB  1 ? 
ATOM   947  N N   . GLY A 1 114 ? -12.782 21.872  13.514 1.000 26.076 0 112 GLY AAA N   1 ? 
ATOM   948  C CA  . GLY A 1 114 ? -12.844 20.455  13.874 1.000 24.150 0 112 GLY AAA CA  1 ? 
ATOM   949  C C   . GLY A 1 114 ? -11.659 19.994  14.697 1.000 24.157 0 112 GLY AAA C   1 ? 
ATOM   950  O O   . GLY A 1 114 ? -11.606 18.836  15.041 1.000 35.140 0 112 GLY AAA O   1 ? 
ATOM   951  N N   . GLY A 1 115 ? -10.728 20.885  15.006 1.000 19.860 0 113 GLY AAA N   1 ? 
ATOM   952  C CA  . GLY A 1 115 ? -9.702  20.676  16.036 1.000 18.045 0 113 GLY AAA CA  1 ? 
ATOM   953  C C   . GLY A 1 115 ? -8.329  20.258  15.501 1.000 15.283 0 113 GLY AAA C   1 ? 
ATOM   954  O O   . GLY A 1 115 ? -7.404  20.050  16.306 1.000 14.961 0 113 GLY AAA O   1 ? 
ATOM   955  N N   . LYS A 1 116 ? -8.142  20.180  14.203 1.000 14.264 0 114 LYS AAA N   1 ? 
ATOM   956  C CA  . LYS A 1 116 ? -6.827  19.780  13.646 1.000 14.953 0 114 LYS AAA CA  1 ? 
ATOM   957  C C   . LYS A 1 116 ? -5.877  20.962  13.726 1.000 13.410 0 114 LYS AAA C   1 ? 
ATOM   958  O O   . LYS A 1 116 ? -6.231  22.087  13.326 1.000 15.779 0 114 LYS AAA O   1 ? 
ATOM   959  C CB  . LYS A 1 116 ? -6.949  19.258  12.217 1.000 16.219 0 114 LYS AAA CB  1 ? 
ATOM   960  C CG  . LYS A 1 116 ? -7.609  17.881  12.142 1.000 17.260 0 114 LYS AAA CG  1 ? 
ATOM   961  C CD  . LYS A 1 116 ? -7.847  17.381  10.747 1.000 20.428 0 114 LYS AAA CD  1 ? 
ATOM   962  C CE  . LYS A 1 116 ? -8.150  15.894  10.698 1.000 21.778 0 114 LYS AAA CE  1 ? 
ATOM   963  N NZ  . LYS A 1 116 ? -8.461  15.404  9.320  1.000 27.576 0 114 LYS AAA NZ  1 ? 
ATOM   964  N N   . ILE A 1 117 ? -4.700  20.774  14.260 1.000 12.571 0 115 ILE AAA N   1 ? 
ATOM   965  C CA  . ILE A 1 117 ? -3.695  21.852  14.330 1.000 12.494 0 115 ILE AAA CA  1 ? 
ATOM   966  C C   . ILE A 1 117 ? -3.209  22.235  12.919 1.000 12.385 0 115 ILE AAA C   1 ? 
ATOM   967  O O   . ILE A 1 117 ? -3.108  21.398  12.001 1.000 12.676 0 115 ILE AAA O   1 ? 
ATOM   968  C CB  . ILE A 1 117 ? -2.525  21.486  15.265 1.000 12.666 0 115 ILE AAA CB  1 ? 
ATOM   969  C CG1 . ILE A 1 117 ? -1.604  20.410  14.690 1.000 12.886 0 115 ILE AAA CG1 1 ? 
ATOM   970  C CG2 . ILE A 1 117 ? -3.042  21.106  16.639 1.000 13.753 0 115 ILE AAA CG2 1 ? 
ATOM   971  C CD1 . ILE A 1 117 ? -0.397  20.053  15.599 1.000 14.064 0 115 ILE AAA CD1 1 ? 
ATOM   972  N N   . CYS A 1 118 ? -2.959  23.530  12.739 1.000 12.283 0 116 CYS AAA N   1 ? 
ATOM   973  C CA  . CYS A 1 118 ? -2.402  24.092  11.515 1.000 13.587 0 116 CYS AAA CA  1 ? 
ATOM   974  C C   . CYS A 1 118 ? -0.949  24.419  11.745 1.000 12.682 0 116 CYS AAA C   1 ? 
ATOM   975  O O   . CYS A 1 118 ? -0.627  25.315  12.563 1.000 14.347 0 116 CYS AAA O   1 ? 
ATOM   976  C CB  . CYS A 1 118 ? -3.187  25.334  11.133 1.000 14.361 0 116 CYS AAA CB  1 ? 
ATOM   977  S SG  . CYS A 1 118 ? -2.682  26.044  9.587  1.000 17.209 0 116 CYS AAA SG  1 ? 
ATOM   978  N N   . LEU A 1 119 ? -0.086  23.616  11.153 1.000 13.494 0 117 LEU AAA N   1 ? 
ATOM   979  C CA  . LEU A 1 119 ? 1.368   23.818  11.243 1.000 13.351 0 117 LEU AAA CA  1 ? 
ATOM   980  C C   . LEU A 1 119 ? 1.798   24.834  10.205 1.000 14.023 0 117 LEU AAA C   1 ? 
ATOM   981  O O   . LEU A 1 119 ? 1.077   25.099  9.238  1.000 15.273 0 117 LEU AAA O   1 ? 
ATOM   982  C CB  . LEU A 1 119 ? 2.093   22.505  11.037 1.000 13.962 0 117 LEU AAA CB  1 ? 
ATOM   983  C CG  . LEU A 1 119 ? 1.714   21.417  12.037 1.000 13.009 0 117 LEU AAA CG  1 ? 
ATOM   984  C CD1 . LEU A 1 119 ? 2.553   20.185  11.790 1.000 16.109 0 117 LEU AAA CD1 1 ? 
ATOM   985  C CD2 . LEU A 1 119 ? 1.874   21.868  13.508 1.000 15.082 0 117 LEU AAA CD2 1 ? 
ATOM   986  N N   . THR A 1 120 ? 3.029   25.346  10.306 1.000 13.852 0 118 THR AAA N   1 ? 
ATOM   987  C CA  . THR A 1 120 ? 3.582   26.252  9.280  1.000 12.959 0 118 THR AAA CA  1 ? 
ATOM   988  C C   . THR A 1 120 ? 3.831   25.474  7.983  1.000 12.599 0 118 THR AAA C   1 ? 
ATOM   989  O O   . THR A 1 120 ? 4.011   24.267  8.006  1.000 12.090 0 118 THR AAA O   1 ? 
ATOM   990  C CB  . THR A 1 120 ? 4.867   26.982  9.704  1.000 14.872 0 118 THR AAA CB  1 ? 
ATOM   991  O OG1 . THR A 1 120 ? 5.925   26.021  9.729  1.000 15.780 0 118 THR AAA OG1 1 ? 
ATOM   992  C CG2 . THR A 1 120 ? 4.676   27.680  11.031 1.000 16.658 0 118 THR AAA CG2 1 ? 
ATOM   993  N N   . ASP A 1 121 ? 3.909   26.219  6.896  1.000 12.810 0 119 ASP AAA N   1 ? 
ATOM   994  C CA  . ASP A 1 121 ? 4.152   25.658  5.560  1.000 12.930 0 119 ASP AAA CA  1 ? 
ATOM   995  C C   . ASP A 1 121 ? 5.477   24.969  5.490  1.000 13.906 0 119 ASP AAA C   1 ? 
ATOM   996  O O   . ASP A 1 121 ? 5.670   24.215  4.517  1.000 17.300 0 119 ASP AAA O   1 ? 
ATOM   997  C CB  . ASP A 1 121 ? 4.095   26.679  4.445  1.000 15.270 0 119 ASP AAA CB  1 ? 
ATOM   998  C CG  . ASP A 1 121 ? 2.715   26.979  3.982  1.000 15.998 0 119 ASP AAA CG  1 ? 
ATOM   999  O OD1 . ASP A 1 121 ? 1.736   26.356  4.420  1.000 17.031 0 119 ASP AAA OD1 1 ? 
ATOM   1000 O OD2 . ASP A 1 121 ? 2.642   27.931  3.117  1.000 18.358 0 119 ASP AAA OD2 1 ? 
ATOM   1001 N N   . HIS A 1 122 ? 6.460   25.210  6.342  1.000 13.149 0 120 HIS AAA N   1 ? 
ATOM   1002 C CA  . HIS A 1 122 ? 7.725   24.461  6.239  1.000 13.585 0 120 HIS AAA CA  1 ? 
ATOM   1003 C C   . HIS A 1 122 ? 7.563   23.010  6.700  1.000 12.419 0 120 HIS AAA C   1 ? 
ATOM   1004 O O   . HIS A 1 122 ? 8.416   22.174  6.279  1.000 12.939 0 120 HIS AAA O   1 ? 
ATOM   1005 C CB  . HIS A 1 122 ? 8.833   25.176  7.008  1.000 15.101 0 120 HIS AAA CB  1 ? 
ATOM   1006 C CG  . HIS A 1 122 ? 9.344   26.365  6.256  1.000 18.754 0 120 HIS AAA CG  1 ? 
ATOM   1007 N ND1 . HIS A 1 122 ? 8.644   27.578  6.203  1.000 29.204 0 120 HIS AAA ND1 1 ? 
ATOM   1008 C CD2 . HIS A 1 122 ? 10.408  26.539  5.443  1.000 27.020 0 120 HIS AAA CD2 1 ? 
ATOM   1009 C CE1 . HIS A 1 122 ? 9.287   28.423  5.403  1.000 28.800 0 120 HIS AAA CE1 1 ? 
ATOM   1010 N NE2 . HIS A 1 122 ? 10.372  27.840  4.952  1.000 24.692 0 120 HIS AAA NE2 1 ? 
ATOM   1011 N N   . PHE A 1 123 ? 6.556   22.655  7.479  1.000 11.886 0 121 PHE AAA N   1 ? 
ATOM   1012 C CA  . PHE A 1 123 ? 6.492   21.278  8.002  1.000 11.928 0 121 PHE AAA CA  1 ? 
ATOM   1013 C C   . PHE A 1 123 ? 6.267   20.259  6.861  1.000 11.051 0 121 PHE AAA C   1 ? 
ATOM   1014 O O   . PHE A 1 123 ? 6.912   19.212  6.827  1.000 11.137 0 121 PHE AAA O   1 ? 
ATOM   1015 C CB  . PHE A 1 123 ? 5.370   21.128  9.022  1.000 12.399 0 121 PHE AAA CB  1 ? 
ATOM   1016 C CG  . PHE A 1 123 ? 5.323   19.723  9.565  1.000 11.845 0 121 PHE AAA CG  1 ? 
ATOM   1017 C CD1 . PHE A 1 123 ? 6.195   19.367  10.593 1.000 13.185 0 121 PHE AAA CD1 1 ? 
ATOM   1018 C CD2 . PHE A 1 123 ? 4.510   18.747  9.000  1.000 12.753 0 121 PHE AAA CD2 1 ? 
ATOM   1019 C CE1 . PHE A 1 123 ? 6.229   18.055  11.041 1.000 14.306 0 121 PHE AAA CE1 1 ? 
ATOM   1020 C CE2 . PHE A 1 123 ? 4.559   17.432  9.468  1.000 13.843 0 121 PHE AAA CE2 1 ? 
ATOM   1021 C CZ  . PHE A 1 123 ? 5.417   17.109  10.496 1.000 14.102 0 121 PHE AAA CZ  1 ? 
ATOM   1022 N N   . LYS A 1 124 ? 5.321   20.513  5.972  1.000 12.007 0 122 LYS AAA N   1 ? 
ATOM   1023 C CA  . LYS A 1 124 ? 4.963   19.519  4.921  1.000 11.078 0 122 LYS AAA CA  1 ? 
ATOM   1024 C C   . LYS A 1 124 ? 6.163   19.191  4.055  1.000 10.897 0 122 LYS AAA C   1 ? 
ATOM   1025 O O   . LYS A 1 124 ? 6.427   17.983  3.846  1.000 10.831 0 122 LYS AAA O   1 ? 
ATOM   1026 C CB  . LYS A 1 124 ? 3.689   19.961  4.209  1.000 13.220 0 122 LYS AAA CB  1 ? 
ATOM   1027 C CG  . LYS A 1 124 ? 2.427   19.412  4.868  1.000 13.863 0 122 LYS AAA CG  1 ? 
ATOM   1028 C CD  . LYS A 1 124 ? 1.115   19.945  4.264  1.000 14.406 0 122 LYS AAA CD  1 ? 
ATOM   1029 C CE  . LYS A 1 124 ? -0.077  19.381  4.994  1.000 17.690 0 122 LYS AAA CE  1 ? 
ATOM   1030 N NZ  . LYS A 1 124 ? -1.382  19.853  4.468  1.000 19.414 0 122 LYS AAA NZ  1 ? 
ATOM   1031 N N   . PRO A 1 125 ? 6.902   20.158  3.482  1.000 10.669 0 123 PRO AAA N   1 ? 
ATOM   1032 C CA  . PRO A 1 125 ? 8.035   19.798  2.651  1.000 10.929 0 123 PRO AAA CA  1 ? 
ATOM   1033 C C   . PRO A 1 125 ? 9.148   19.097  3.454  1.000 10.624 0 123 PRO AAA C   1 ? 
ATOM   1034 O O   . PRO A 1 125 ? 9.874   18.292  2.921  1.000 10.987 0 123 PRO AAA O   1 ? 
ATOM   1035 C CB  . PRO A 1 125 ? 8.513   21.116  1.993  1.000 11.343 0 123 PRO AAA CB  1 ? 
ATOM   1036 C CG  . PRO A 1 125 ? 7.221   21.930  1.993  1.000 13.913 0 123 PRO AAA CG  1 ? 
ATOM   1037 C CD  . PRO A 1 125 ? 6.545   21.582  3.283  1.000 11.876 0 123 PRO AAA CD  1 ? 
ATOM   1038 N N   . LEU A 1 126 ? 9.276   19.476  4.746  1.000 10.675 0 124 LEU AAA N   1 ? 
ATOM   1039 C CA  . LEU A 1 126 ? 10.251  18.794  5.649  1.000 10.477 0 124 LEU AAA CA  1 ? 
ATOM   1040 C C   . LEU A 1 126 ? 9.894   17.312  5.781  1.000 10.372 0 124 LEU AAA C   1 ? 
ATOM   1041 O O   . LEU A 1 126 ? 10.759  16.441  5.609  1.000 10.835 0 124 LEU AAA O   1 ? 
ATOM   1042 C CB  . LEU A 1 126 ? 10.288  19.484  7.001  1.000 10.793 0 124 LEU AAA CB  1 ? 
ATOM   1043 C CG  . LEU A 1 126 ? 11.094  18.813  8.098  1.000 12.559 0 124 LEU AAA CG  1 ? 
ATOM   1044 C CD1 . LEU A 1 126 ? 12.541  18.704  7.727  1.000 16.174 0 124 LEU AAA CD1 1 ? 
ATOM   1045 C CD2 . LEU A 1 126 ? 10.963  19.493  9.446  1.000 14.413 0 124 LEU AAA CD2 1 ? 
ATOM   1046 N N   . TRP A 1 127 ? 8.638   17.020  6.056  1.000 10.260 0 125 TRP AAA N   1 ? 
ATOM   1047 C CA  . TRP A 1 127 ? 8.173   15.617  6.093  1.000 9.487  0 125 TRP AAA CA  1 ? 
ATOM   1048 C C   . TRP A 1 127 ? 8.440   14.969  4.749  1.000 10.153 0 125 TRP AAA C   1 ? 
ATOM   1049 O O   . TRP A 1 127 ? 9.022   13.866  4.668  1.000 10.185 0 125 TRP AAA O   1 ? 
ATOM   1050 C CB  . TRP A 1 127 ? 6.692   15.588  6.425  1.000 10.228 0 125 TRP AAA CB  1 ? 
ATOM   1051 C CG  . TRP A 1 127 ? 6.151   14.194  6.567  1.000 9.542  0 125 TRP AAA CG  1 ? 
ATOM   1052 C CD1 . TRP A 1 127 ? 5.665   13.401  5.577  1.000 10.193 0 125 TRP AAA CD1 1 ? 
ATOM   1053 C CD2 . TRP A 1 127 ? 6.036   13.420  7.788  1.000 9.637  0 125 TRP AAA CD2 1 ? 
ATOM   1054 N NE1 . TRP A 1 127 ? 5.280   12.181  6.093  1.000 10.645 0 125 TRP AAA NE1 1 ? 
ATOM   1055 C CE2 . TRP A 1 127 ? 5.514   12.159  7.432  1.000 9.989  0 125 TRP AAA CE2 1 ? 
ATOM   1056 C CE3 . TRP A 1 127 ? 6.357   13.623  9.127  1.000 10.302 0 125 TRP AAA CE3 1 ? 
ATOM   1057 C CZ2 . TRP A 1 127 ? 5.238   11.174  8.377  1.000 11.843 0 125 TRP AAA CZ2 1 ? 
ATOM   1058 C CZ3 . TRP A 1 127 ? 6.098   12.638  10.042 1.000 11.423 0 125 TRP AAA CZ3 1 ? 
ATOM   1059 C CH2 . TRP A 1 127 ? 5.563   11.429  9.667  1.000 11.585 0 125 TRP AAA CH2 1 ? 
ATOM   1060 N N   . ALA A 1 128 ? 8.028   15.586  3.653  1.000 10.326 0 126 ALA AAA N   1 ? 
ATOM   1061 C CA  . ALA A 1 128 ? 8.130   15.015  2.300  1.000 10.883 0 126 ALA AAA CA  1 ? 
ATOM   1062 C C   . ALA A 1 128 ? 9.558   14.661  1.972  1.000 11.394 0 126 ALA AAA C   1 ? 
ATOM   1063 O O   . ALA A 1 128 ? 9.814   13.546  1.431  1.000 12.961 0 126 ALA AAA O   1 ? 
ATOM   1064 C CB  . ALA A 1 128 ? 7.576   15.961  1.272  1.000 11.629 0 126 ALA AAA CB  1 ? 
ATOM   1065 N N   . ARG A 1 129 ? 10.532  15.494  2.317  1.000 11.594 0 127 ARG AAA N   1 ? 
ATOM   1066 C CA  . ARG A 1 129 ? 11.915  15.214  1.906  1.000 13.328 0 127 ARG AAA CA  1 ? 
ATOM   1067 C C   . ARG A 1 129 ? 12.551  14.137  2.766  1.000 12.340 0 127 ARG AAA C   1 ? 
ATOM   1068 O O   . ARG A 1 129 ? 13.679  13.746  2.464  1.000 15.895 0 127 ARG AAA O   1 ? 
ATOM   1069 C CB  . ARG A 1 129 ? 12.768  16.458  1.804  1.000 16.691 0 127 ARG AAA CB  1 ? 
ATOM   1070 C CG  . ARG A 1 129 ? 13.046  17.224  3.056  1.000 19.002 0 127 ARG AAA CG  1 ? 
ATOM   1071 C CD  . ARG A 1 129 ? 13.772  18.521  2.628  1.000 22.020 0 127 ARG AAA CD  1 ? 
ATOM   1072 N NE  . ARG A 1 129 ? 14.014  19.354  3.768  1.000 21.732 0 127 ARG AAA NE  1 ? 
ATOM   1073 C CZ  . ARG A 1 129 ? 13.322  20.423  4.161  1.000 20.601 0 127 ARG AAA CZ  1 ? 
ATOM   1074 N NH1 . ARG A 1 129 ? 12.319  20.878  3.437  1.000 20.315 0 127 ARG AAA NH1 1 ? 
ATOM   1075 N NH2 . ARG A 1 129 ? 13.713  21.069  5.253  1.000 22.984 0 127 ARG AAA NH2 1 ? 
ATOM   1076 N N   . ASN A 1 130 ? 11.904  13.720  3.849  1.000 11.300 0 128 ASN AAA N   1 ? 
ATOM   1077 C CA  . ASN A 1 130 ? 12.466  12.664  4.720  1.000 11.619 0 128 ASN AAA CA  1 ? 
ATOM   1078 C C   . ASN A 1 130 ? 11.762  11.324  4.551  1.000 12.501 0 128 ASN AAA C   1 ? 
ATOM   1079 O O   . ASN A 1 130 ? 12.203  10.350  5.217  1.000 13.251 0 128 ASN AAA O   1 ? 
ATOM   1080 C CB  . ASN A 1 130 ? 12.475  13.141  6.167  1.000 11.398 0 128 ASN AAA CB  1 ? 
ATOM   1081 C CG  . ASN A 1 130 ? 13.621  14.078  6.389  1.000 12.562 0 128 ASN AAA CG  1 ? 
ATOM   1082 O OD1 . ASN A 1 130 ? 14.774  13.609  6.464  1.000 14.257 0 128 ASN AAA OD1 1 ? 
ATOM   1083 N ND2 . ASN A 1 130 ? 13.416  15.361  6.377  1.000 12.460 0 128 ASN AAA ND2 1 ? 
ATOM   1084 N N   . VAL A 1 131 ? 10.726  11.219  3.728  1.000 11.957 0 129 VAL AAA N   1 ? 
ATOM   1085 C CA  . VAL A 1 131 ? 9.940   9.963   3.648  1.000 12.232 0 129 VAL AAA CA  1 ? 
ATOM   1086 C C   . VAL A 1 131 ? 10.872  8.826   3.253  1.000 11.881 0 129 VAL AAA C   1 ? 
ATOM   1087 O O   . VAL A 1 131 ? 11.707  9.016   2.343  1.000 13.923 0 129 VAL AAA O   1 ? 
ATOM   1088 C CB  . VAL A 1 131 ? 8.813   10.136  2.624  1.000 13.245 0 129 VAL AAA CB  1 ? 
ATOM   1089 C CG1 . VAL A 1 131 ? 8.181   8.829   2.166  1.000 16.340 0 129 VAL AAA CG1 1 ? 
ATOM   1090 C CG2 . VAL A 1 131 ? 7.724   11.109  3.127  1.000 12.599 0 129 VAL AAA CG2 1 ? 
ATOM   1091 N N   . PRO A 1 132 ? 10.764  7.601   3.789  1.000 11.155 0 130 PRO AAA N   1 ? 
ATOM   1092 C CA  . PRO A 1 132 ? 9.827   7.164   4.832  1.000 11.428 0 130 PRO AAA CA  1 ? 
ATOM   1093 C C   . PRO A 1 132 ? 10.486  7.109   6.217  1.000 11.480 0 130 PRO AAA C   1 ? 
ATOM   1094 O O   . PRO A 1 132 ? 10.023  6.356   7.120  1.000 11.118 0 130 PRO AAA O   1 ? 
ATOM   1095 C CB  . PRO A 1 132 ? 9.558   5.722   4.343  1.000 12.301 0 130 PRO AAA CB  1 ? 
ATOM   1096 C CG  . PRO A 1 132 ? 10.948  5.251   3.958  1.000 12.598 0 130 PRO AAA CG  1 ? 
ATOM   1097 C CD  . PRO A 1 132 ? 11.534  6.451   3.209  1.000 11.684 0 130 PRO AAA CD  1 ? 
ATOM   1098 N N   . LYS A 1 133 ? 11.536  7.912   6.428  1.000 10.616 0 131 LYS AAA N   1 ? 
ATOM   1099 C CA  . LYS A 1 133 ? 12.339  7.852   7.638  1.000 10.629 0 131 LYS AAA CA  1 ? 
ATOM   1100 C C   . LYS A 1 133 ? 11.599  8.379   8.873  1.000 10.111 0 131 LYS AAA C   1 ? 
ATOM   1101 O O   . LYS A 1 133 ? 11.923  7.949   9.976  1.000 10.820 0 131 LYS AAA O   1 ? 
ATOM   1102 C CB  . LYS A 1 133 ? 13.640  8.636   7.410  1.000 11.296 0 131 LYS AAA CB  1 ? 
ATOM   1103 C CG  . LYS A 1 133 ? 14.558  7.950   6.398  1.000 12.931 0 131 LYS AAA CG  1 ? 
ATOM   1104 C CD  . LYS A 1 133 ? 15.870  8.618   6.111  1.000 15.282 0 131 LYS AAA CD  1 ? 
ATOM   1105 C CE  . LYS A 1 133 ? 15.709  9.933   5.377  1.000 16.087 0 131 LYS AAA CE  1 ? 
ATOM   1106 N NZ  . LYS A 1 133 ? 17.047  10.378  4.872  1.000 17.384 0 131 LYS AAA NZ  1 ? 
ATOM   1107 N N   . PHE A 1 134 ? 10.762  9.387   8.699  1.000 10.131 0 132 PHE AAA N   1 ? 
ATOM   1108 C CA  . PHE A 1 134 ? 9.992   9.962   9.822  1.000 9.432  0 132 PHE AAA CA  1 ? 
ATOM   1109 C C   . PHE A 1 134 ? 8.727   9.173   10.065 1.000 8.802  0 132 PHE AAA C   1 ? 
ATOM   1110 O O   . PHE A 1 134 ? 8.029   8.735   9.152  1.000 9.604  0 132 PHE AAA O   1 ? 
ATOM   1111 C CB  . PHE A 1 134 ? 9.676   11.436  9.583  1.000 10.021 0 132 PHE AAA CB  1 ? 
ATOM   1112 C CG  . PHE A 1 134 ? 10.850  12.385  9.635  1.000 11.176 0 132 PHE AAA CG  1 ? 
ATOM   1113 C CD1 . PHE A 1 134 ? 12.113  11.999  9.905  1.000 11.518 0 132 PHE AAA CD1 1 ? 
ATOM   1114 C CD2 . PHE A 1 134 ? 10.634  13.731  9.385  1.000 12.753 0 132 PHE AAA CD2 1 ? 
ATOM   1115 C CE1 . PHE A 1 134 ? 13.182  12.913  9.962  1.000 13.299 0 132 PHE AAA CE1 1 ? 
ATOM   1116 C CE2 . PHE A 1 134 ? 11.690  14.650  9.435  1.000 14.547 0 132 PHE AAA CE2 1 ? 
ATOM   1117 C CZ  . PHE A 1 134 ? 12.932  14.226  9.687  1.000 14.272 0 132 PHE AAA CZ  1 ? 
ATOM   1118 N N   . GLY A 1 135 ? 8.415   9.090   11.362 1.000 8.694  0 133 GLY AAA N   1 ? 
ATOM   1119 C CA  . GLY A 1 135 ? 7.146   8.474   11.815 1.000 9.130  0 133 GLY AAA CA  1 ? 
ATOM   1120 C C   . GLY A 1 135 ? 6.466   9.309   12.894 1.000 8.517  0 133 GLY AAA C   1 ? 
ATOM   1121 O O   . GLY A 1 135 ? 6.678   10.538  12.991 1.000 8.920  0 133 GLY AAA O   1 ? 
ATOM   1122 N N   . LEU A 1 136 ? 5.648   8.661   13.690 1.000 8.452  0 134 LEU AAA N   1 ? 
ATOM   1123 C CA  . LEU A 1 136 ? 4.836   9.372   14.668 1.000 8.488  0 134 LEU AAA CA  1 ? 
ATOM   1124 C C   . LEU A 1 136 ? 5.692   10.075  15.712 1.000 8.303  0 134 LEU AAA C   1 ? 
ATOM   1125 O O   . LEU A 1 136 ? 5.335   11.186  16.142 1.000 8.733  0 134 LEU AAA O   1 ? 
ATOM   1126 C CB  . LEU A 1 136 ? 3.876   8.388   15.328 1.000 8.535  0 134 LEU AAA CB  1 ? 
ATOM   1127 C CG  . LEU A 1 136 ? 2.884   7.727   14.372 1.000 9.522  0 134 LEU AAA CG  1 ? 
ATOM   1128 C CD1 . LEU A 1 136 ? 1.869   6.845   15.126 1.000 10.299 0 134 LEU AAA CD1 1 ? 
ATOM   1129 C CD2 . LEU A 1 136 ? 2.151   8.706   13.457 1.000 10.117 0 134 LEU AAA CD2 1 ? 
ATOM   1130 N N   . ALA A 1 137 ? 6.801   9.518   16.140 1.000 8.437  0 135 ALA AAA N   1 ? 
ATOM   1131 C CA  . ALA A 1 137 ? 7.676   10.228  17.073 1.000 8.577  0 135 ALA AAA CA  1 ? 
ATOM   1132 C C   . ALA A 1 137 ? 8.135   11.543  16.464 1.000 8.249  0 135 ALA AAA C   1 ? 
ATOM   1133 O O   . ALA A 1 137 ? 8.182   12.590  17.159 1.000 8.710  0 135 ALA AAA O   1 ? 
ATOM   1134 C CB  . ALA A 1 137 ? 8.877   9.366   17.413 1.000 9.057  0 135 ALA AAA CB  1 ? 
ATOM   1135 N N   . HIS A 1 138 ? 8.532   11.540  15.204 1.000 8.227  0 136 HIS AAA N   1 ? 
ATOM   1136 C CA  . HIS A 1 138 ? 8.970   12.766  14.523 1.000 9.008  0 136 HIS AAA CA  1 ? 
ATOM   1137 C C   . HIS A 1 138 ? 7.808   13.735  14.340 1.000 8.956  0 136 HIS AAA C   1 ? 
ATOM   1138 O O   . HIS A 1 138 ? 8.024   14.973  14.399 1.000 9.512  0 136 HIS AAA O   1 ? 
ATOM   1139 C CB  . HIS A 1 138 ? 9.575   12.406  13.163 1.000 9.306  0 136 HIS AAA CB  1 ? 
ATOM   1140 C CG  . HIS A 1 138 ? 10.699  11.434  13.251 1.000 9.331  0 136 HIS AAA CG  1 ? 
ATOM   1141 N ND1 . HIS A 1 138 ? 10.480  10.078  13.293 1.000 9.931  0 136 HIS AAA ND1 1 ? 
ATOM   1142 C CD2 . HIS A 1 138 ? 12.028  11.670  13.266 1.000 10.118 0 136 HIS AAA CD2 1 ? 
ATOM   1143 C CE1 . HIS A 1 138 ? 11.668  9.514   13.392 1.000 10.615 0 136 HIS AAA CE1 1 ? 
ATOM   1144 N NE2 . HIS A 1 138 ? 12.632  10.441  13.377 1.000 10.639 0 136 HIS AAA NE2 1 ? 
ATOM   1145 N N   . LEU A 1 139 ? 6.615   13.272  14.038 1.000 9.078  0 137 LEU AAA N   1 ? 
ATOM   1146 C CA  . LEU A 1 139 ? 5.419   14.126  13.936 1.000 8.935  0 137 LEU AAA CA  1 ? 
ATOM   1147 C C   . LEU A 1 139 ? 5.213   14.883  15.238 1.000 8.506  0 137 LEU AAA C   1 ? 
ATOM   1148 O O   . LEU A 1 139 ? 4.906   16.078  15.241 1.000 9.670  0 137 LEU AAA O   1 ? 
ATOM   1149 C CB  . LEU A 1 139 ? 4.204   13.237  13.613 1.000 9.810  0 137 LEU AAA CB  1 ? 
ATOM   1150 C CG  . LEU A 1 139 ? 2.902   13.975  13.430 1.000 12.107 0 137 LEU AAA CG  1 ? 
ATOM   1151 C CD1 . LEU A 1 139 ? 2.873   14.825  12.167 1.000 15.073 0 137 LEU AAA CD1 1 ? 
ATOM   1152 C CD2 . LEU A 1 139 ? 1.785   12.931  13.411 1.000 13.591 0 137 LEU AAA CD2 1 ? 
ATOM   1153 N N   . MET A 1 140 ? 5.345   14.192  16.372 1.000 8.554  0 138 MET AAA N   1 ? 
ATOM   1154 C CA  . MET A 1 140 ? 5.246   14.817  17.697 1.000 8.369  0 138 MET AAA CA  1 ? 
ATOM   1155 C C   . MET A 1 140 ? 6.376   15.829  17.889 1.000 8.996  0 138 MET AAA C   1 ? 
ATOM   1156 O O   . MET A 1 140 ? 6.128   16.981  18.278 1.000 9.354  0 138 MET AAA O   1 ? 
ATOM   1157 C CB  . MET A 1 140 ? 5.245   13.742  18.763 1.000 8.974  0 138 MET AAA CB  1 ? 
ATOM   1158 C CG  . MET A 1 140 ? 4.026   12.839  18.735 1.000 9.265  0 138 MET AAA CG  1 ? 
ATOM   1159 S SD  . MET A 1 140 ? 2.443   13.639  19.091 1.000 10.037 0 138 MET AAA SD  1 ? 
ATOM   1160 C CE  . MET A 1 140 ? 2.537   13.714  20.875 1.000 10.950 0 138 MET AAA CE  1 ? 
ATOM   1161 N N   . ALA A 1 141 ? 7.625   15.423  17.649 1.000 8.581  0 139 ALA AAA N   1 ? 
ATOM   1162 C CA  . ALA A 1 141 ? 8.776   16.276  17.969 1.000 9.088  0 139 ALA AAA CA  1 ? 
ATOM   1163 C C   . ALA A 1 141 ? 8.847   17.499  17.073 1.000 9.043  0 139 ALA AAA C   1 ? 
ATOM   1164 O O   . ALA A 1 141 ? 9.305   18.593  17.552 1.000 10.120 0 139 ALA AAA O   1 ? 
ATOM   1165 C CB  . ALA A 1 141 ? 10.072  15.478  17.821 1.000 9.341  0 139 ALA AAA CB  1 ? 
ATOM   1166 N N   . LEU A 1 142 ? 8.541   17.381  15.798 1.000 8.762  0 140 LEU AAA N   1 ? 
ATOM   1167 C CA  . LEU A 1 142 ? 8.741   18.462  14.780 1.000 9.915  0 140 LEU AAA CA  1 ? 
ATOM   1168 C C   . LEU A 1 142 ? 7.419   19.158  14.486 1.000 10.051 0 140 LEU AAA C   1 ? 
ATOM   1169 O O   . LEU A 1 142 ? 7.459   20.279  13.885 1.000 11.937 0 140 LEU AAA O   1 ? 
ATOM   1170 C CB  . LEU A 1 142 ? 9.308   17.877  13.498 1.000 9.931  0 140 LEU AAA CB  1 ? 
ATOM   1171 C CG  . LEU A 1 142 ? 10.726  17.347  13.579 1.000 10.717 0 140 LEU AAA CG  1 ? 
ATOM   1172 C CD1 . LEU A 1 142 ? 11.044  16.549  12.332 1.000 11.591 0 140 LEU AAA CD1 1 ? 
ATOM   1173 C CD2 . LEU A 1 142 ? 11.755  18.456  13.788 1.000 12.367 0 140 LEU AAA CD2 1 ? 
ATOM   1174 N N   . GLY A 1 143 ? 6.282   18.618  14.856 1.000 10.421 0 141 GLY AAA N   1 ? 
ATOM   1175 C CA  . GLY A 1 143 ? 4.971   19.140  14.459 1.000 10.517 0 141 GLY AAA CA  1 ? 
ATOM   1176 C C   . GLY A 1 143 ? 4.261   19.642  15.688 1.000 10.412 0 141 GLY AAA C   1 ? 
ATOM   1177 O O   . GLY A 1 143 ? 4.210   20.897  15.949 1.000 12.169 0 141 GLY AAA O   1 ? 
ATOM   1178 N N   . LEU A 1 144 ? 3.717   18.776  16.525 1.000 9.864  0 142 LEU AAA N   1 ? 
ATOM   1179 C CA  . LEU A 1 144 ? 2.940   19.221  17.717 1.000 9.573  0 142 LEU AAA CA  1 ? 
ATOM   1180 C C   . LEU A 1 144 ? 3.812   19.977  18.707 1.000 9.629  0 142 LEU AAA C   1 ? 
ATOM   1181 O O   . LEU A 1 144 ? 3.334   20.986  19.281 1.000 10.166 0 142 LEU AAA O   1 ? 
ATOM   1182 C CB  . LEU A 1 144 ? 2.245   18.020  18.351 1.000 9.730  0 142 LEU AAA CB  1 ? 
ATOM   1183 C CG  . LEU A 1 144 ? 1.442   18.341  19.603 1.000 10.153 0 142 LEU AAA CG  1 ? 
ATOM   1184 C CD1 . LEU A 1 144 ? 0.269   19.295  19.305 1.000 10.405 0 142 LEU AAA CD1 1 ? 
ATOM   1185 C CD2 . LEU A 1 144 ? 0.932   17.052  20.223 1.000 11.270 0 142 LEU AAA CD2 1 ? 
ATOM   1186 N N   . GLY A 1 145 ? 5.013   19.521  18.979 1.000 10.098 0 143 GLY AAA N   1 ? 
ATOM   1187 C CA  . GLY A 1 145 ? 5.837   20.143  20.027 1.000 10.844 0 143 GLY AAA CA  1 ? 
ATOM   1188 C C   . GLY A 1 145 ? 5.995   21.647  19.803 1.000 11.044 0 143 GLY AAA C   1 ? 
ATOM   1189 O O   . GLY A 1 145 ? 5.690   22.478  20.692 1.000 11.052 0 143 GLY AAA O   1 ? 
ATOM   1190 N N   . PRO A 1 146 ? 6.499   22.069  18.632 1.000 11.161 0 144 PRO AAA N   1 ? 
ATOM   1191 C CA  . PRO A 1 146 ? 6.695   23.507  18.407 1.000 12.551 0 144 PRO AAA CA  1 ? 
ATOM   1192 C C   . PRO A 1 146 ? 5.366   24.223  18.238 1.000 11.740 0 144 PRO AAA C   1 ? 
ATOM   1193 O O   . PRO A 1 146 ? 5.405   25.486  18.499 1.000 12.948 0 144 PRO AAA O   1 ? 
ATOM   1194 C CB  . PRO A 1 146 ? 7.624   23.613  17.186 1.000 14.926 0 144 PRO AAA CB  1 ? 
ATOM   1195 C CG  . PRO A 1 146 ? 7.694   22.263  16.646 1.000 14.894 0 144 PRO AAA CG  1 ? 
ATOM   1196 C CD  . PRO A 1 146 ? 7.184   21.224  17.613 1.000 11.815 0 144 PRO AAA CD  1 ? 
ATOM   1197 N N   . TRP A 1 147 ? 4.321   23.601  17.780 1.000 11.072 0 145 TRP AAA N   1 ? 
ATOM   1198 C CA  . TRP A 1 147 ? 2.988   24.235  17.734 1.000 11.574 0 145 TRP AAA CA  1 ? 
ATOM   1199 C C   . TRP A 1 147 ? 2.560   24.636  19.143 1.000 9.984  0 145 TRP AAA C   1 ? 
ATOM   1200 O O   . TRP A 1 147 ? 2.146   25.792  19.365 1.000 10.737 0 145 TRP AAA O   1 ? 
ATOM   1201 C CB  . TRP A 1 147 ? 1.977   23.311  17.075 1.000 12.346 0 145 TRP AAA CB  1 ? 
ATOM   1202 C CG  . TRP A 1 147 ? 0.634   23.930  16.858 1.000 12.147 0 145 TRP AAA CG  1 ? 
ATOM   1203 C CD1 . TRP A 1 147 ? 0.218   24.608  15.736 1.000 12.290 0 145 TRP AAA CD1 1 ? 
ATOM   1204 C CD2 . TRP A 1 147 ? -0.492  23.894  17.742 1.000 11.787 0 145 TRP AAA CD2 1 ? 
ATOM   1205 N NE1 . TRP A 1 147 ? -1.084  24.989  15.867 1.000 13.139 0 145 TRP AAA NE1 1 ? 
ATOM   1206 C CE2 . TRP A 1 147 ? -1.551  24.608  17.096 1.000 13.467 0 145 TRP AAA CE2 1 ? 
ATOM   1207 C CE3 . TRP A 1 147 ? -0.710  23.387  19.017 1.000 12.753 0 145 TRP AAA CE3 1 ? 
ATOM   1208 C CZ2 . TRP A 1 147 ? -2.801  24.761  17.675 1.000 13.946 0 145 TRP AAA CZ2 1 ? 
ATOM   1209 C CZ3 . TRP A 1 147 ? -1.962  23.530  19.575 1.000 13.403 0 145 TRP AAA CZ3 1 ? 
ATOM   1210 C CH2 . TRP A 1 147 ? -2.988  24.257  18.929 1.000 14.541 0 145 TRP AAA CH2 1 ? 
ATOM   1211 N N   . LEU A 1 148 ? 2.673   23.737  20.093 1.000 9.559  0 146 LEU AAA N   1 ? 
ATOM   1212 C CA  . LEU A 1 148 ? 2.285   24.028  21.476 1.000 9.556  0 146 LEU AAA CA  1 ? 
ATOM   1213 C C   . LEU A 1 148 ? 3.112   25.199  22.016 1.000 9.439  0 146 LEU AAA C   1 ? 
ATOM   1214 O O   . LEU A 1 148 ? 2.593   26.032  22.807 1.000 9.991  0 146 LEU AAA O   1 ? 
ATOM   1215 C CB  . LEU A 1 148 ? 2.473   22.827  22.398 1.000 9.771  0 146 LEU AAA CB  1 ? 
ATOM   1216 C CG  . LEU A 1 148 ? 1.593   21.601  22.155 1.000 10.190 0 146 LEU AAA CG  1 ? 
ATOM   1217 C CD1 . LEU A 1 148 ? 2.109   20.410  22.915 1.000 11.271 0 146 LEU AAA CD1 1 ? 
ATOM   1218 C CD2 . LEU A 1 148 ? 0.125   21.859  22.523 1.000 10.651 0 146 LEU AAA CD2 1 ? 
ATOM   1219 N N   . ALA A 1 149 ? 4.396   25.234  21.704 1.000 9.748  0 147 ALA AAA N   1 ? 
ATOM   1220 C CA  . ALA A 1 149 ? 5.347   26.233  22.228 1.000 9.849  0 147 ALA AAA CA  1 ? 
ATOM   1221 C C   . ALA A 1 149 ? 5.030   27.657  21.735 1.000 9.752  0 147 ALA AAA C   1 ? 
ATOM   1222 O O   . ALA A 1 149 ? 5.552   28.595  22.346 1.000 10.459 0 147 ALA AAA O   1 ? 
ATOM   1223 C CB  . ALA A 1 149 ? 6.764   25.837  21.931 1.000 10.880 0 147 ALA AAA CB  1 ? 
ATOM   1224 N N   . VAL A 1 150 ? 4.225   27.805  20.704 1.000 9.990  0 148 VAL AAA N   1 ? 
ATOM   1225 C CA  . VAL A 1 150 ? 3.675   29.125  20.293 1.000 10.312 0 148 VAL AAA CA  1 ? 
ATOM   1226 C C   . VAL A 1 150 ? 2.273   29.270  20.821 1.000 10.954 0 148 VAL AAA C   1 ? 
ATOM   1227 O O   . VAL A 1 150 ? 1.943   30.325  21.456 1.000 11.671 0 148 VAL AAA O   1 ? 
ATOM   1228 C CB  . VAL A 1 150 ? 3.733   29.298  18.770 1.000 10.831 0 148 VAL AAA CB  1 ? 
ATOM   1229 C CG1 . VAL A 1 150 ? 3.067   30.588  18.356 1.000 11.253 0 148 VAL AAA CG1 1 ? 
ATOM   1230 C CG2 . VAL A 1 150 ? 5.167   29.290  18.295 1.000 11.213 0 148 VAL AAA CG2 1 ? 
ATOM   1231 N N   . GLU A 1 151 ? 1.397   28.326  20.545 1.000 10.534 0 149 GLU AAA N   1 ? 
ATOM   1232 C CA  . GLU A 1 151 ? -0.053  28.540  20.746 1.000 10.531 0 149 GLU AAA CA  1 ? 
ATOM   1233 C C   . GLU A 1 151 ? -0.416  28.496  22.217 1.000 10.779 0 149 GLU AAA C   1 ? 
ATOM   1234 O O   . GLU A 1 151 ? -1.358  29.275  22.609 1.000 12.091 0 149 GLU AAA O   1 ? 
ATOM   1235 C CB  . GLU A 1 151 ? -0.842  27.496  19.950 1.000 11.773 0 149 GLU AAA CB  1 ? 
ATOM   1236 C CG  . GLU A 1 151 ? -0.693  27.606  18.459 1.000 13.603 0 149 GLU AAA CG  1 ? 
ATOM   1237 C CD  . GLU A 1 151 ? -0.991  28.997  17.955 1.000 13.729 0 149 GLU AAA CD  1 ? 
ATOM   1238 O OE1 . GLU A 1 151 ? -2.126  29.488  18.241 1.000 17.306 0 149 GLU AAA OE1 1 ? 
ATOM   1239 O OE2 . GLU A 1 151 ? -0.116  29.545  17.276 1.000 17.200 0 149 GLU AAA OE2 1 ? 
ATOM   1240 N N   . ILE A 1 152 ? 0.100   27.615  23.044 1.000 10.379 0 150 ILE AAA N   1 ? 
ATOM   1241 C CA  . ILE A 1 152 ? -0.363  27.550  24.453 1.000 10.700 0 150 ILE AAA CA  1 ? 
ATOM   1242 C C   . ILE A 1 152 ? 0.001   28.827  25.183 1.000 10.419 0 150 ILE AAA C   1 ? 
ATOM   1243 O O   . ILE A 1 152 ? -0.888  29.403  25.848 1.000 10.963 0 150 ILE AAA O   1 ? 
ATOM   1244 C CB  . ILE A 1 152 ? 0.037   26.227  25.138 1.000 10.372 0 150 ILE AAA CB  1 ? 
ATOM   1245 C CG1 . ILE A 1 152 ? -0.397  24.980  24.345 1.000 10.955 0 150 ILE AAA CG1 1 ? 
ATOM   1246 C CG2 . ILE A 1 152 ? -0.552  26.228  26.519 1.000 11.700 0 150 ILE AAA CG2 1 ? 
ATOM   1247 C CD1 . ILE A 1 152 ? -1.847  24.932  23.938 1.000 11.246 0 150 ILE AAA CD1 1 ? 
ATOM   1248 N N   . PRO A 1 153 ? 1.249   29.336  25.113 1.000 10.685 0 151 PRO AAA N   1 ? 
ATOM   1249 C CA  . PRO A 1 153 ? 1.515   30.636  25.744 1.000 11.543 0 151 PRO AAA CA  1 ? 
ATOM   1250 C C   . PRO A 1 153 ? 0.603   31.738  25.202 1.000 11.876 0 151 PRO AAA C   1 ? 
ATOM   1251 O O   . PRO A 1 153 ? 0.137   32.593  26.043 1.000 13.119 0 151 PRO AAA O   1 ? 
ATOM   1252 C CB  . PRO A 1 153 ? 2.978   30.902  25.417 1.000 12.203 0 151 PRO AAA CB  1 ? 
ATOM   1253 C CG  . PRO A 1 153 ? 3.558   29.524  25.258 1.000 11.782 0 151 PRO AAA CG  1 ? 
ATOM   1254 C CD  . PRO A 1 153 ? 2.475   28.699  24.566 1.000 10.607 0 151 PRO AAA CD  1 ? 
ATOM   1255 N N   . ASP A 1 154 ? 0.321   31.776  23.931 1.000 12.581 0 152 ASP AAA N   1 ? 
ATOM   1256 C CA  . ASP A 1 154 ? -0.539  32.824  23.365 1.000 13.163 0 152 ASP AAA CA  1 ? 
ATOM   1257 C C   . ASP A 1 154 ? -1.951  32.722  23.943 1.000 14.357 0 152 ASP AAA C   1 ? 
ATOM   1258 O O   . ASP A 1 154 ? -2.526  33.758  24.402 1.000 14.633 0 152 ASP AAA O   1 ? 
ATOM   1259 C CB  . ASP A 1 154 ? -0.547  32.716  21.845 1.000 14.209 0 152 ASP AAA CB  1 ? 
ATOM   1260 C CG  . ASP A 1 154 ? -1.243  33.879  21.150 1.000 16.731 0 152 ASP AAA CG  1 ? 
ATOM   1261 O OD1 . ASP A 1 154 ? -0.976  35.060  21.581 1.000 20.636 0 152 ASP AAA OD1 1 ? 
ATOM   1262 O OD2 . ASP A 1 154 ? -2.032  33.632  20.275 1.000 20.981 0 152 ASP AAA OD2 1 ? 
ATOM   1263 N N   . LEU A 1 155 ? -2.527  31.541  23.999 1.000 12.456 0 153 LEU AAA N   1 ? 
ATOM   1264 C CA  . LEU A 1 155 ? -3.904  31.354  24.491 1.000 13.427 0 153 LEU AAA CA  1 ? 
ATOM   1265 C C   . LEU A 1 155 ? -3.981  31.567  25.989 1.000 12.527 0 153 LEU AAA C   1 ? 
ATOM   1266 O O   . LEU A 1 155 ? -5.052  32.100  26.459 1.000 13.432 0 153 LEU AAA O   1 ? 
ATOM   1267 C CB  . LEU A 1 155 ? -4.417  29.973  24.088 1.000 13.859 0 153 LEU AAA CB  1 ? 
ATOM   1268 C CG  . LEU A 1 155 ? -4.738  29.796  22.612 1.000 19.201 0 153 LEU AAA CG  1 ? 
ATOM   1269 C CD1 . LEU A 1 155 ? -5.405  28.467  22.314 1.000 18.428 0 153 LEU AAA CD1 1 ? 
ATOM   1270 C CD2 . LEU A 1 155 ? -5.631  30.876  22.102 1.000 25.506 0 153 LEU AAA CD2 1 ? 
ATOM   1271 N N   . ILE A 1 156 ? -2.952  31.258  26.753 1.000 11.728 0 154 ILE AAA N   1 ? 
ATOM   1272 C CA  . ILE A 1 156 ? -2.942  31.590  28.203 1.000 12.597 0 154 ILE AAA CA  1 ? 
ATOM   1273 C C   . ILE A 1 156 ? -2.938  33.120  28.314 1.000 14.130 0 154 ILE AAA C   1 ? 
ATOM   1274 O O   . ILE A 1 156 ? -3.759  33.679  29.136 1.000 14.538 0 154 ILE AAA O   1 ? 
ATOM   1275 C CB  . ILE A 1 156 ? -1.771  30.943  28.945 1.000 13.016 0 154 ILE AAA CB  1 ? 
ATOM   1276 C CG1 . ILE A 1 156 ? -1.920  29.424  28.944 1.000 12.439 0 154 ILE AAA CG1 1 ? 
ATOM   1277 C CG2 . ILE A 1 156 ? -1.623  31.523  30.337 1.000 14.087 0 154 ILE AAA CG2 1 ? 
ATOM   1278 C CD1 . ILE A 1 156 ? -0.678  28.674  29.347 1.000 13.092 0 154 ILE AAA CD1 1 ? 
ATOM   1279 N N   . GLN A 1 157 ? -2.089  33.811  27.609 1.000 13.558 0 155 GLN AAA N   1 ? 
ATOM   1280 C CA  . GLN A 1 157 ? -1.993  35.300  27.720 1.000 15.866 0 155 GLN AAA CA  1 ? 
ATOM   1281 C C   . GLN A 1 157 ? -3.352  35.918  27.336 1.000 15.194 0 155 GLN AAA C   1 ? 
ATOM   1282 O O   . GLN A 1 157 ? -3.719  36.968  27.986 1.000 18.153 0 155 GLN AAA O   1 ? 
ATOM   1283 C CB  . GLN A 1 157 ? -0.836  35.829  26.851 1.000 16.896 0 155 GLN AAA CB  1 ? 
ATOM   1284 C CG  . GLN A 1 157 ? -0.596  37.328  27.012 1.000 20.387 0 155 GLN AAA CG  1 ? 
ATOM   1285 C CD  . GLN A 1 157 ? -1.489  38.220  26.211 1.000 18.475 0 155 GLN AAA CD  1 ? 
ATOM   1286 O OE1 . GLN A 1 157 ? -1.814  37.982  25.053 1.000 20.878 0 155 GLN AAA OE1 1 ? 
ATOM   1287 N NE2 . GLN A 1 157 ? -1.742  39.401  26.797 1.000 24.788 0 155 GLN AAA NE2 1 ? 
ATOM   1288 N N   . LYS A 1 158 ? -4.013  35.432  26.317 1.000 15.574 0 156 LYS AAA N   1 ? 
ATOM   1289 C CA  . LYS A 1 158 ? -5.297  35.975  25.816 1.000 15.777 0 156 LYS AAA CA  1 ? 
ATOM   1290 C C   . LYS A 1 158 ? -6.456  35.601  26.747 1.000 17.249 0 156 LYS AAA C   1 ? 
ATOM   1291 O O   . LYS A 1 158 ? -7.603  36.054  26.428 1.000 19.386 0 156 LYS AAA O   1 ? 
ATOM   1292 C CB  . LYS A 1 158 ? -5.529  35.482  24.391 1.000 17.595 0 156 LYS AAA CB  1 ? 
ATOM   1293 C CG  . LYS A 1 158 ? -4.643  36.171  23.375 1.000 19.625 0 156 LYS AAA CG  1 ? 
ATOM   1294 C CD  . LYS A 1 158 ? -4.600  35.566  22.022 1.000 22.048 0 156 LYS AAA CD  1 ? 
ATOM   1295 C CE  . LYS A 1 158 ? -3.944  36.494  21.008 1.000 22.582 0 156 LYS AAA CE  1 ? 
ATOM   1296 N NZ  . LYS A 1 158 ? -3.644  35.839  19.713 1.000 26.982 0 156 LYS AAA NZ  1 ? 
ATOM   1297 N N   . GLY A 1 159 ? -6.261  34.806  27.770 1.000 15.622 0 157 GLY AAA N   1 ? 
ATOM   1298 C CA  . GLY A 1 159 ? -7.319  34.394  28.695 1.000 16.424 0 157 GLY AAA CA  1 ? 
ATOM   1299 C C   . GLY A 1 159 ? -8.263  33.352  28.089 1.000 16.793 0 157 GLY AAA C   1 ? 
ATOM   1300 O O   . GLY A 1 159 ? -9.438  33.227  28.530 1.000 19.072 0 157 GLY AAA O   1 ? 
ATOM   1301 N N   . VAL A 1 160 ? -7.849  32.625  27.056 1.000 16.090 0 158 VAL AAA N   1 ? 
ATOM   1302 C CA  . VAL A 1 160 ? -8.617  31.530  26.400 1.000 16.823 0 158 VAL AAA CA  1 ? 
ATOM   1303 C C   . VAL A 1 160 ? -8.403  30.224  27.160 1.000 16.211 0 158 VAL AAA C   1 ? 
ATOM   1304 O O   . VAL A 1 160 ? -9.378  29.412  27.183 1.000 21.704 0 158 VAL AAA O   1 ? 
ATOM   1305 C CB  . VAL A 1 160 ? -8.179  31.464  24.909 1.000 17.151 0 158 VAL AAA CB  1 ? 
ATOM   1306 C CG1 . VAL A 1 160 ? -8.787  30.285  24.159 1.000 19.493 0 158 VAL AAA CG1 1 ? 
ATOM   1307 C CG2 . VAL A 1 160 ? -8.479  32.760  24.162 1.000 21.898 0 158 VAL AAA CG2 1 ? 
ATOM   1308 N N   . ILE A 1 161 ? -7.205  29.948  27.618 1.000 17.414 0 159 ILE AAA N   1 ? 
ATOM   1309 C CA  . ILE A 1 161 ? -6.822  28.702  28.351 1.000 17.215 0 159 ILE AAA CA  1 ? 
ATOM   1310 C C   . ILE A 1 161 ? -6.649  29.106  29.804 1.000 18.474 0 159 ILE AAA C   1 ? 
ATOM   1311 O O   . ILE A 1 161 ? -5.878  30.069  30.054 1.000 20.512 0 159 ILE AAA O   1 ? 
ATOM   1312 C CB  . ILE A 1 161 ? -5.545  28.012  27.783 1.000 15.019 0 159 ILE AAA CB  1 ? 
ATOM   1313 C CG1 . ILE A 1 161 ? -5.846  27.411  26.416 1.000 17.218 0 159 ILE AAA CG1 1 ? 
ATOM   1314 C CG2 . ILE A 1 161 ? -4.955  26.967  28.727 1.000 18.505 0 159 ILE AAA CG2 1 ? 
ATOM   1315 C CD1 . ILE A 1 161 ? -4.636  26.932  25.677 1.000 17.413 0 159 ILE AAA CD1 1 ? 
ATOM   1316 N N   . HIS A 1 162 ? -7.319  28.399  30.717 1.000 18.398 0 160 HIS AAA N   1 ? 
ATOM   1317 C CA  . HIS A 1 162 ? -7.177  28.586  32.175 1.000 19.396 0 160 HIS AAA CA  1 ? 
ATOM   1318 C C   . HIS A 1 162 ? -6.687  27.297  32.793 1.000 18.597 0 160 HIS AAA C   1 ? 
ATOM   1319 O O   . HIS A 1 162 ? -7.015  26.220  32.281 1.000 25.449 0 160 HIS AAA O   1 ? 
ATOM   1320 C CB  . HIS A 1 162 ? -8.515  28.983  32.820 1.000 25.348 0 160 HIS AAA CB  1 ? 
ATOM   1321 C CG  . HIS A 1 162 ? -9.205  30.045  32.056 1.000 28.252 0 160 HIS AAA CG  1 ? 
ATOM   1322 N ND1 . HIS A 1 162 ? -8.897  31.378  32.254 1.000 29.523 0 160 HIS AAA ND1 1 ? 
ATOM   1323 C CD2 . HIS A 1 162 ? -10.117 29.985  31.061 1.000 29.879 0 160 HIS AAA CD2 1 ? 
ATOM   1324 C CE1 . HIS A 1 162 ? -9.604  32.103  31.407 1.000 27.601 0 160 HIS AAA CE1 1 ? 
ATOM   1325 N NE2 . HIS A 1 162 ? -10.358 31.273  30.676 1.000 30.119 0 160 HIS AAA NE2 1 ? 
ATOM   1326 N N   . HIS A 1 163 ? -5.882  27.377  33.836 1.000 18.937 0 161 HIS AAA N   1 ? 
ATOM   1327 C CA  . HIS A 1 163 ? -5.434  26.195  34.599 1.000 18.505 0 161 HIS AAA CA  1 ? 
ATOM   1328 C C   . HIS A 1 163 ? -6.525  25.852  35.643 1.000 20.841 0 161 HIS AAA C   1 ? 
ATOM   1329 O O   . HIS A 1 163 ? -6.957  26.763  36.361 1.000 23.732 0 161 HIS AAA O   1 ? 
ATOM   1330 C CB  . HIS A 1 163 ? -4.073  26.522  35.217 1.000 15.555 0 161 HIS AAA CB  1 ? 
ATOM   1331 C CG  . HIS A 1 163 ? -3.361  25.311  35.677 1.000 14.775 0 161 HIS AAA CG  1 ? 
ATOM   1332 N ND1 . HIS A 1 163 ? -3.397  24.888  36.979 1.000 15.611 0 161 HIS AAA ND1 1 ? 
ATOM   1333 C CD2 . HIS A 1 163 ? -2.630  24.416  35.012 1.000 15.240 0 161 HIS AAA CD2 1 ? 
ATOM   1334 C CE1 . HIS A 1 163 ? -2.707  23.757  37.061 1.000 16.507 0 161 HIS AAA CE1 1 ? 
ATOM   1335 N NE2 . HIS A 1 163 ? -2.205  23.481  35.871 1.000 16.307 0 161 HIS AAA NE2 1 ? 
ATOM   1336 N N   . LYS A 1 164 ? -6.916  24.605  35.781 1.000 25.252 0 162 LYS AAA N   1 ? 
ATOM   1337 C CA  . LYS A 1 164 ? -7.914  24.224  36.835 1.000 26.853 0 162 LYS AAA CA  1 ? 
ATOM   1338 C C   . LYS A 1 164 ? -7.196  24.011  38.178 1.000 23.551 0 162 LYS AAA C   1 ? 
ATOM   1339 O O   . LYS A 1 164 ? -6.226  23.275  38.209 1.000 26.872 0 162 LYS AAA O   1 ? 
ATOM   1340 C CB  . LYS A 1 164 ? -8.723  22.979  36.463 1.000 31.825 0 162 LYS AAA CB  1 ? 
ATOM   1341 N N   . GLU A 1 165 ? -7.689  24.665  39.238 1.000 28.148 0 163 GLU AAA N   1 ? 
ATOM   1342 C CA  . GLU A 1 165 ? -7.152  24.565  40.624 1.000 25.041 0 163 GLU AAA CA  1 ? 
ATOM   1343 C C   . GLU A 1 165 ? -7.498  23.169  41.155 1.000 26.702 0 163 GLU AAA C   1 ? 
ATOM   1344 O O   . GLU A 1 165 ? -8.723  22.923  41.359 1.000 34.119 0 163 GLU AAA O   1 ? 
ATOM   1345 C CB  . GLU A 1 165 ? -7.748  25.670  41.520 1.000 25.052 0 163 GLU AAA CB  1 ? 
ATOM   1346 C CG  . GLU A 1 165 ? -7.263  25.594  42.972 1.000 25.088 0 163 GLU AAA CG  1 ? 
ATOM   1347 C CD  . GLU A 1 165 ? -5.748  25.718  43.129 1.000 24.544 0 163 GLU AAA CD  1 ? 
ATOM   1348 O OE1 . GLU A 1 165 ? -5.103  24.752  43.603 1.000 32.219 0 163 GLU AAA OE1 1 ? 
ATOM   1349 O OE2 . GLU A 1 165 ? -5.252  26.754  42.768 1.000 21.100 0 163 GLU AAA OE2 1 ? 
ATOM   1350 N N   . LYS A 1 166 ? -6.504  22.293  41.345 1.000 29.794 0 164 LYS AAA N   1 ? 
ATOM   1351 C CA  . LYS A 1 166 ? -6.671  20.843  41.656 1.000 30.551 0 164 LYS AAA CA  1 ? 
ATOM   1352 C C   . LYS A 1 166 ? -5.695  20.419  42.754 1.000 31.100 0 164 LYS AAA C   1 ? 
ATOM   1353 O O   . LYS A 1 166 ? -5.723  19.249  43.229 1.000 31.724 0 164 LYS AAA O   1 ? 
ATOM   1354 C CB  . LYS A 1 166 ? -6.420  19.988  40.410 1.000 31.479 0 164 LYS AAA CB  1 ? 
HETATM 1355 S S   . SO4 B 2 .   ? 0.344   21.717  38.490 1.000 20.603 0 201 SO4 AAA S   1 ? 
HETATM 1356 O O1  . SO4 B 2 .   ? 0.454   22.404  37.267 1.000 25.656 0 201 SO4 AAA O1  1 ? 
HETATM 1357 O O2  . SO4 B 2 .   ? 0.931   22.415  39.694 1.000 23.488 0 201 SO4 AAA O2  1 ? 
HETATM 1358 O O3  . SO4 B 2 .   ? -1.038  21.526  38.833 1.000 30.377 0 201 SO4 AAA O3  1 ? 
HETATM 1359 O O4  . SO4 B 2 .   ? 1.002   20.393  38.401 1.000 28.944 0 201 SO4 AAA O4  1 ? 
HETATM 1360 O O   . HOH C 3 .   ? -11.770 5.129   9.089  1.000 34.990 0 301 HOH AAA O   1 ? 
HETATM 1361 O O   . HOH C 3 .   ? -7.745  9.007   9.027  1.000 29.403 0 302 HOH AAA O   1 ? 
HETATM 1362 O O   . HOH C 3 .   ? -0.122  36.725  23.294 1.000 23.952 0 303 HOH AAA O   1 ? 
HETATM 1363 O O   . HOH C 3 .   ? 7.570   19.785  29.254 1.000 23.460 0 304 HOH AAA O   1 ? 
HETATM 1364 O O   . HOH C 3 .   ? 13.054  19.465  36.967 1.000 35.488 0 305 HOH AAA O   1 ? 
HETATM 1365 O O   . HOH C 3 .   ? 3.847   34.900  32.011 1.000 32.805 0 306 HOH AAA O   1 ? 
HETATM 1366 O O   . HOH C 3 .   ? -8.929  10.392  15.206 1.000 31.618 0 307 HOH AAA O   1 ? 
HETATM 1367 O O   . HOH C 3 .   ? 21.530  7.784   21.156 1.000 42.983 0 308 HOH AAA O   1 ? 
HETATM 1368 O O   . HOH C 3 .   ? -9.014  -5.993  14.183 1.000 22.064 0 309 HOH AAA O   1 ? 
HETATM 1369 O O   . HOH C 3 .   ? -6.936  15.754  29.306 1.000 44.480 0 310 HOH AAA O   1 ? 
HETATM 1370 O O   . HOH C 3 .   ? 4.753   29.238  2.269  1.000 33.119 0 311 HOH AAA O   1 ? 
HETATM 1371 O O   . HOH C 3 .   ? 11.908  14.587  35.780 1.000 35.380 0 312 HOH AAA O   1 ? 
HETATM 1372 O O   . HOH C 3 .   ? -4.304  17.038  43.216 1.000 45.449 0 313 HOH AAA O   1 ? 
HETATM 1373 O O   . HOH C 3 .   ? -7.202  32.715  20.454 1.000 26.874 0 314 HOH AAA O   1 ? 
HETATM 1374 O O   . HOH C 3 .   ? -3.580  12.563  33.260 1.000 32.385 0 315 HOH AAA O   1 ? 
HETATM 1375 O O   . HOH C 3 .   ? 13.768  15.173  20.494 1.000 18.589 0 316 HOH AAA O   1 ? 
HETATM 1376 O O   . HOH C 3 .   ? 21.186  14.600  20.920 1.000 38.274 0 317 HOH AAA O   1 ? 
HETATM 1377 O O   . HOH C 3 .   ? -8.407  17.994  23.560 1.000 20.766 0 318 HOH AAA O   1 ? 
HETATM 1378 O O   . HOH C 3 .   ? 7.633   11.240  33.690 1.000 29.172 0 319 HOH AAA O   1 ? 
HETATM 1379 O O   . HOH C 3 .   ? 17.441  5.920   30.291 1.000 37.186 0 320 HOH AAA O   1 ? 
HETATM 1380 O O   . HOH C 3 .   ? -15.804 21.871  14.600 1.000 27.167 0 321 HOH AAA O   1 ? 
HETATM 1381 O O   . HOH C 3 .   ? -0.019  32.097  16.493 1.000 23.923 0 322 HOH AAA O   1 ? 
HETATM 1382 O O   . HOH C 3 .   ? -10.172 35.514  25.931 1.000 41.602 0 323 HOH AAA O   1 ? 
HETATM 1383 O O   . HOH C 3 .   ? 13.322  20.861  33.037 1.000 19.665 0 324 HOH AAA O   1 ? 
HETATM 1384 O O   . HOH C 3 .   ? -2.851  32.064  18.226 1.000 24.488 0 325 HOH AAA O   1 ? 
HETATM 1385 O O   . HOH C 3 .   ? 0.647   29.460  33.294 1.000 14.754 0 326 HOH AAA O   1 ? 
HETATM 1386 O O   . HOH C 3 .   ? 5.547   -8.623  2.195  1.000 29.080 0 327 HOH AAA O   1 ? 
HETATM 1387 O O   . HOH C 3 .   ? 18.600  14.256  20.848 1.000 27.720 0 328 HOH AAA O   1 ? 
HETATM 1388 O O   . HOH C 3 .   ? 7.359   24.773  28.276 1.000 31.220 0 329 HOH AAA O   1 ? 
HETATM 1389 O O   . HOH C 3 .   ? 23.461  21.592  7.782  1.000 29.455 0 330 HOH AAA O   1 ? 
HETATM 1390 O O   . HOH C 3 .   ? 20.273  9.194   14.025 1.000 17.118 0 331 HOH AAA O   1 ? 
HETATM 1391 O O   . HOH C 3 .   ? -7.006  4.935   8.586  1.000 39.414 0 332 HOH AAA O   1 ? 
HETATM 1392 O O   . HOH C 3 .   ? 17.778  8.344   26.769 1.000 24.718 0 333 HOH AAA O   1 ? 
HETATM 1393 O O   . HOH C 3 .   ? 12.187  7.849   -0.044 1.000 18.887 0 334 HOH AAA O   1 ? 
HETATM 1394 O O   . HOH C 3 .   ? -12.191 31.550  28.709 1.000 43.025 0 335 HOH AAA O   1 ? 
HETATM 1395 O O   . HOH C 3 .   ? -3.403  18.708  11.937 1.000 16.764 0 336 HOH AAA O   1 ? 
HETATM 1396 O O   . HOH C 3 .   ? 4.208   16.066  31.226 1.000 37.494 0 337 HOH AAA O   1 ? 
HETATM 1397 O O   . HOH C 3 .   ? 23.193  12.603  16.972 1.000 32.056 0 338 HOH AAA O   1 ? 
HETATM 1398 O O   . HOH C 3 .   ? -14.006 19.530  20.002 1.000 16.335 0 339 HOH AAA O   1 ? 
HETATM 1399 O O   . HOH C 3 .   ? 12.739  -2.726  18.901 1.000 14.347 0 340 HOH AAA O   1 ? 
HETATM 1400 O O   . HOH C 3 .   ? 1.004   32.104  33.847 1.000 20.600 0 341 HOH AAA O   1 ? 
HETATM 1401 O O   . HOH C 3 .   ? -1.030  1.362   22.049 1.000 12.558 0 342 HOH AAA O   1 ? 
HETATM 1402 O O   . HOH C 3 .   ? 15.518  10.374  13.705 1.000 12.783 0 343 HOH AAA O   1 ? 
HETATM 1403 O O   . HOH C 3 .   ? -9.018  13.495  21.813 1.000 24.477 0 344 HOH AAA O   1 ? 
HETATM 1404 O O   . HOH C 3 .   ? 9.440   17.344  36.477 1.000 36.248 0 345 HOH AAA O   1 ? 
HETATM 1405 O O   . HOH C 3 .   ? 7.587   -7.996  11.074 1.000 14.342 0 346 HOH AAA O   1 ? 
HETATM 1406 O O   . HOH C 3 .   ? 16.406  12.956  4.288  1.000 26.781 0 347 HOH AAA O   1 ? 
HETATM 1407 O O   . HOH C 3 .   ? -5.415  32.605  31.009 1.000 23.070 0 348 HOH AAA O   1 ? 
HETATM 1408 O O   . HOH C 3 .   ? 2.861   22.303  6.512  1.000 13.719 0 349 HOH AAA O   1 ? 
HETATM 1409 O O   . HOH C 3 .   ? 2.602   3.423   1.918  1.000 19.342 0 350 HOH AAA O   1 ? 
HETATM 1410 O O   . HOH C 3 .   ? 15.155  4.295   6.448  1.000 15.633 0 351 HOH AAA O   1 ? 
HETATM 1411 O O   . HOH C 3 .   ? 7.115   6.567   15.652 1.000 10.785 0 352 HOH AAA O   1 ? 
HETATM 1412 O O   . HOH C 3 .   ? -6.501  12.888  12.083 1.000 15.706 0 353 HOH AAA O   1 ? 
HETATM 1413 O O   . HOH C 3 .   ? 6.846   5.842   1.699  1.000 14.290 0 354 HOH AAA O   1 ? 
HETATM 1414 O O   . HOH C 3 .   ? 10.261  -3.694  5.457  1.000 13.057 0 355 HOH AAA O   1 ? 
HETATM 1415 O O   . HOH C 3 .   ? -4.153  22.982  39.961 1.000 26.742 0 356 HOH AAA O   1 ? 
HETATM 1416 O O   . HOH C 3 .   ? -2.986  17.572  5.760  1.000 30.048 0 357 HOH AAA O   1 ? 
HETATM 1417 O O   . HOH C 3 .   ? 19.926  15.470  18.907 1.000 22.564 0 358 HOH AAA O   1 ? 
HETATM 1418 O O   . HOH C 3 .   ? -0.170  24.462  41.135 1.000 17.934 0 359 HOH AAA O   1 ? 
HETATM 1419 O O   . HOH C 3 .   ? -14.757 24.923  25.643 1.000 22.904 0 360 HOH AAA O   1 ? 
HETATM 1420 O O   . HOH C 3 .   ? -2.569  -3.941  11.782 1.000 26.267 0 361 HOH AAA O   1 ? 
HETATM 1421 O O   . HOH C 3 .   ? 0.046   26.278  6.986  1.000 31.207 0 362 HOH AAA O   1 ? 
HETATM 1422 O O   . HOH C 3 .   ? 7.955   25.674  25.389 1.000 18.486 0 363 HOH AAA O   1 ? 
HETATM 1423 O O   . HOH C 3 .   ? -6.073  -11.675 17.036 1.000 43.019 0 364 HOH AAA O   1 ? 
HETATM 1424 O O   . HOH C 3 .   ? 3.730   -0.931  0.438  1.000 31.982 0 365 HOH AAA O   1 ? 
HETATM 1425 O O   . HOH C 3 .   ? 17.602  12.676  27.163 1.000 17.730 0 366 HOH AAA O   1 ? 
HETATM 1426 O O   . HOH C 3 .   ? 7.178   11.809  26.316 1.000 12.525 0 367 HOH AAA O   1 ? 
HETATM 1427 O O   . HOH C 3 .   ? 10.555  22.844  4.671  1.000 17.667 0 368 HOH AAA O   1 ? 
HETATM 1428 O O   . HOH C 3 .   ? 19.913  25.722  12.626 1.000 16.453 0 369 HOH AAA O   1 ? 
HETATM 1429 O O   . HOH C 3 .   ? 5.987   27.825  28.303 1.000 17.954 0 370 HOH AAA O   1 ? 
HETATM 1430 O O   . HOH C 3 .   ? -3.435  -4.186  6.682  1.000 18.872 0 371 HOH AAA O   1 ? 
HETATM 1431 O O   . HOH C 3 .   ? -13.946 30.648  17.099 1.000 30.188 0 372 HOH AAA O   1 ? 
HETATM 1432 O O   . HOH C 3 .   ? -4.862  -1.935  9.443  1.000 22.128 0 373 HOH AAA O   1 ? 
HETATM 1433 O O   . HOH C 3 .   ? -2.617  4.249   27.160 1.000 37.805 0 374 HOH AAA O   1 ? 
HETATM 1434 O O   . HOH C 3 .   ? -5.471  39.104  27.841 1.000 31.869 0 375 HOH AAA O   1 ? 
HETATM 1435 O O   . HOH C 3 .   ? -3.147  39.768  23.407 1.000 30.117 0 376 HOH AAA O   1 ? 
HETATM 1436 O O   . HOH C 3 .   ? -4.668  12.116  9.746  1.000 15.062 0 377 HOH AAA O   1 ? 
HETATM 1437 O O   . HOH C 3 .   ? -2.560  -2.560  0.000  0.500 29.222 0 378 HOH AAA O   1 ? 
HETATM 1438 O O   . HOH C 3 .   ? 3.627   21.741  37.412 1.000 28.096 0 379 HOH AAA O   1 ? 
HETATM 1439 O O   . HOH C 3 .   ? 11.621  -7.060  11.570 1.000 13.559 0 380 HOH AAA O   1 ? 
HETATM 1440 O O   . HOH C 3 .   ? 10.213  18.433  0.165  1.000 20.384 0 381 HOH AAA O   1 ? 
HETATM 1441 O O   . HOH C 3 .   ? 14.147  13.610  23.783 1.000 16.494 0 382 HOH AAA O   1 ? 
HETATM 1442 O O   . HOH C 3 .   ? 13.326  2.910   25.127 1.000 23.605 0 383 HOH AAA O   1 ? 
HETATM 1443 O O   . HOH C 3 .   ? 16.671  13.132  8.446  1.000 29.296 0 384 HOH AAA O   1 ? 
HETATM 1444 O O   . HOH C 3 .   ? 26.189  18.842  12.352 1.000 30.095 0 385 HOH AAA O   1 ? 
HETATM 1445 O O   . HOH C 3 .   ? 12.507  2.092   2.442  1.000 29.755 0 386 HOH AAA O   1 ? 
HETATM 1446 O O   . HOH C 3 .   ? 1.851   28.604  15.529 1.000 18.821 0 387 HOH AAA O   1 ? 
HETATM 1447 O O   . HOH C 3 .   ? 12.277  2.587   13.929 1.000 14.079 0 388 HOH AAA O   1 ? 
HETATM 1448 O O   . HOH C 3 .   ? -8.334  18.460  43.875 1.000 41.090 0 389 HOH AAA O   1 ? 
HETATM 1449 O O   . HOH C 3 .   ? 13.815  22.187  11.039 1.000 25.308 0 390 HOH AAA O   1 ? 
HETATM 1450 O O   . HOH C 3 .   ? 5.175   -8.425  9.690  1.000 13.929 0 391 HOH AAA O   1 ? 
HETATM 1451 O O   . HOH C 3 .   ? 1.913   0.982   -0.013 1.000 40.766 0 392 HOH AAA O   1 ? 
HETATM 1452 O O   . HOH C 3 .   ? 9.555   -0.268  2.154  1.000 14.558 0 393 HOH AAA O   1 ? 
HETATM 1453 O O   . HOH C 3 .   ? 14.880  12.017  21.504 1.000 16.066 0 394 HOH AAA O   1 ? 
HETATM 1454 O O   . HOH C 3 .   ? -7.969  8.424   16.930 1.000 17.710 0 395 HOH AAA O   1 ? 
HETATM 1455 O O   . HOH C 3 .   ? 5.858   21.941  23.448 1.000 18.118 0 396 HOH AAA O   1 ? 
HETATM 1456 O O   . HOH C 3 .   ? -3.234  13.581  6.098  1.000 29.815 0 397 HOH AAA O   1 ? 
HETATM 1457 O O   . HOH C 3 .   ? 5.271   20.353  25.856 1.000 16.266 0 398 HOH AAA O   1 ? 
HETATM 1458 O O   . HOH C 3 .   ? 1.406   27.164  13.191 1.000 18.071 0 399 HOH AAA O   1 ? 
HETATM 1459 O O   . HOH C 3 .   ? 26.559  22.500  14.794 1.000 20.282 0 400 HOH AAA O   1 ? 
HETATM 1460 O O   . HOH C 3 .   ? -11.822 9.947   9.612  1.000 35.789 0 401 HOH AAA O   1 ? 
HETATM 1461 O O   . HOH C 3 .   ? -7.656  18.601  29.356 1.000 35.053 0 402 HOH AAA O   1 ? 
HETATM 1462 O O   . HOH C 3 .   ? 5.421   13.363  0.674  1.000 18.612 0 403 HOH AAA O   1 ? 
HETATM 1463 O O   . HOH C 3 .   ? -11.078 35.092  29.891 1.000 37.935 0 404 HOH AAA O   1 ? 
HETATM 1464 O O   . HOH C 3 .   ? 18.609  11.441  24.438 1.000 39.960 0 405 HOH AAA O   1 ? 
HETATM 1465 O O   . HOH C 3 .   ? 0.814   2.659   23.690 1.000 13.076 0 406 HOH AAA O   1 ? 
HETATM 1466 O O   . HOH C 3 .   ? 14.240  7.586   30.782 1.000 28.576 0 407 HOH AAA O   1 ? 
HETATM 1467 O O   . HOH C 3 .   ? -14.594 25.613  15.189 1.000 22.317 0 408 HOH AAA O   1 ? 
HETATM 1468 O O   . HOH C 3 .   ? -3.896  29.912  33.687 1.000 35.109 0 409 HOH AAA O   1 ? 
HETATM 1469 O O   . HOH C 3 .   ? 1.423   33.558  28.382 1.000 26.981 0 410 HOH AAA O   1 ? 
HETATM 1470 O O   . HOH C 3 .   ? 7.740   9.282   6.381  1.000 12.122 0 411 HOH AAA O   1 ? 
HETATM 1471 O O   . HOH C 3 .   ? -2.521  1.635   3.209  1.000 15.302 0 412 HOH AAA O   1 ? 
HETATM 1472 O O   . HOH C 3 .   ? -6.854  1.069   22.262 1.000 27.905 0 413 HOH AAA O   1 ? 
HETATM 1473 O O   . HOH C 3 .   ? -0.810  16.356  6.767  1.000 17.981 0 414 HOH AAA O   1 ? 
HETATM 1474 O O   . HOH C 3 .   ? 13.302  1.295   20.917 1.000 13.924 0 415 HOH AAA O   1 ? 
HETATM 1475 O O   . HOH C 3 .   ? 1.416   10.750  -0.508 1.000 28.195 0 416 HOH AAA O   1 ? 
HETATM 1476 O O   . HOH C 3 .   ? -5.438  32.497  17.942 1.000 25.625 0 417 HOH AAA O   1 ? 
HETATM 1477 O O   . HOH C 3 .   ? 22.699  18.893  20.530 1.000 20.091 0 418 HOH AAA O   1 ? 
HETATM 1478 O O   . HOH C 3 .   ? 7.483   25.559  2.752  1.000 24.004 0 419 HOH AAA O   1 ? 
HETATM 1479 O O   . HOH C 3 .   ? 15.724  19.983  7.073  1.000 20.181 0 420 HOH AAA O   1 ? 
HETATM 1480 O O   . HOH C 3 .   ? 11.142  13.092  33.564 1.000 24.660 0 421 HOH AAA O   1 ? 
HETATM 1481 O O   . HOH C 3 .   ? 17.697  3.081   20.001 1.000 18.913 0 422 HOH AAA O   1 ? 
HETATM 1482 O O   . HOH C 3 .   ? 9.293   11.597  6.417  1.000 14.224 0 423 HOH AAA O   1 ? 
HETATM 1483 O O   . HOH C 3 .   ? -10.599 17.053  8.324  1.000 45.118 0 424 HOH AAA O   1 ? 
HETATM 1484 O O   . HOH C 3 .   ? 14.362  13.791  34.500 1.000 38.464 0 425 HOH AAA O   1 ? 
HETATM 1485 O O   . HOH C 3 .   ? 7.678   29.013  31.742 1.000 18.691 0 426 HOH AAA O   1 ? 
HETATM 1486 O O   . HOH C 3 .   ? -1.005  21.962  8.965  1.000 19.558 0 427 HOH AAA O   1 ? 
HETATM 1487 O O   . HOH C 3 .   ? 20.426  13.556  25.116 1.000 21.566 0 428 HOH AAA O   1 ? 
HETATM 1488 O O   . HOH C 3 .   ? 5.425   5.879   29.317 1.000 38.057 0 429 HOH AAA O   1 ? 
HETATM 1489 O O   . HOH C 3 .   ? -4.863  20.998  32.322 1.000 32.385 0 430 HOH AAA O   1 ? 
HETATM 1490 O O   . HOH C 3 .   ? 1.601   -12.133 5.296  1.000 27.093 0 431 HOH AAA O   1 ? 
HETATM 1491 O O   . HOH C 3 .   ? -8.244  -1.633  15.370 1.000 12.361 0 432 HOH AAA O   1 ? 
HETATM 1492 O O   . HOH C 3 .   ? 20.770  28.249  6.134  1.000 28.024 0 433 HOH AAA O   1 ? 
HETATM 1493 O O   . HOH C 3 .   ? -6.780  8.325   4.287  1.000 26.505 0 434 HOH AAA O   1 ? 
HETATM 1494 O O   . HOH C 3 .   ? 18.243  17.073  8.805  1.000 21.612 0 435 HOH AAA O   1 ? 
HETATM 1495 O O   . HOH C 3 .   ? -9.064  26.291  29.693 1.000 28.247 0 436 HOH AAA O   1 ? 
HETATM 1496 O O   . HOH C 3 .   ? 17.723  26.899  6.247  1.000 26.905 0 437 HOH AAA O   1 ? 
HETATM 1497 O O   . HOH C 3 .   ? 12.486  11.423  0.856  1.000 29.928 0 438 HOH AAA O   1 ? 
HETATM 1498 O O   . HOH C 3 .   ? 14.841  14.841  0.000  0.500 26.345 0 439 HOH AAA O   1 ? 
HETATM 1499 O O   . HOH C 3 .   ? -10.752 25.828  15.016 1.000 25.880 0 440 HOH AAA O   1 ? 
HETATM 1500 O O   . HOH C 3 .   ? 7.879   26.892  33.392 1.000 24.259 0 441 HOH AAA O   1 ? 
HETATM 1501 O O   . HOH C 3 .   ? 16.639  13.249  19.289 1.000 18.434 0 442 HOH AAA O   1 ? 
HETATM 1502 O O   . HOH C 3 .   ? 9.267   15.245  32.622 1.000 19.003 0 443 HOH AAA O   1 ? 
HETATM 1503 O O   . HOH C 3 .   ? -10.179 9.730   20.570 1.000 46.099 0 444 HOH AAA O   1 ? 
HETATM 1504 O O   . HOH C 3 .   ? 22.500  10.085  17.468 1.000 28.051 0 445 HOH AAA O   1 ? 
HETATM 1505 O O   . HOH C 3 .   ? -8.390  12.443  9.501  1.000 37.871 0 446 HOH AAA O   1 ? 
HETATM 1506 O O   . HOH C 3 .   ? 6.287   22.039  28.114 1.000 16.625 0 447 HOH AAA O   1 ? 
HETATM 1507 O O   . HOH C 3 .   ? -7.605  11.593  23.397 1.000 24.363 0 448 HOH AAA O   1 ? 
HETATM 1508 O O   . HOH C 3 .   ? 13.877  -3.547  2.476  1.000 26.157 0 449 HOH AAA O   1 ? 
HETATM 1509 O O   . HOH C 3 .   ? 8.494   31.218  33.266 1.000 17.722 0 450 HOH AAA O   1 ? 
HETATM 1510 O O   . HOH C 3 .   ? 15.742  17.192  6.780  1.000 21.415 0 451 HOH AAA O   1 ? 
HETATM 1511 O O   . HOH C 3 .   ? 0.636   15.448  4.585  1.000 17.006 0 452 HOH AAA O   1 ? 
HETATM 1512 O O   . HOH C 3 .   ? 9.887   21.444  12.589 1.000 18.166 0 453 HOH AAA O   1 ? 
HETATM 1513 O O   . HOH C 3 .   ? -5.158  -1.911  -0.744 1.000 30.528 0 454 HOH AAA O   1 ? 
HETATM 1514 O O   . HOH C 3 .   ? 26.210  18.412  17.384 1.000 37.420 0 455 HOH AAA O   1 ? 
HETATM 1515 O O   . HOH C 3 .   ? 3.521   -4.272  15.195 1.000 17.423 0 456 HOH AAA O   1 ? 
HETATM 1516 O O   . HOH C 3 .   ? 13.382  -1.926  9.717  1.000 19.554 0 457 HOH AAA O   1 ? 
HETATM 1517 O O   . HOH C 3 .   ? -3.027  37.353  30.907 1.000 46.725 0 458 HOH AAA O   1 ? 
HETATM 1518 O O   . HOH C 3 .   ? -5.639  12.757  7.425  1.000 32.532 0 459 HOH AAA O   1 ? 
HETATM 1519 O O   . HOH C 3 .   ? -9.898  25.383  32.711 1.000 45.047 0 460 HOH AAA O   1 ? 
HETATM 1520 O O   . HOH C 3 .   ? 8.441   17.879  32.831 1.000 41.716 0 461 HOH AAA O   1 ? 
HETATM 1521 O O   . HOH C 3 .   ? -10.499 25.836  38.994 1.000 40.462 0 462 HOH AAA O   1 ? 
HETATM 1522 O O   . HOH C 3 .   ? -14.049 22.933  22.851 1.000 20.149 0 463 HOH AAA O   1 ? 
HETATM 1523 O O   . HOH C 3 .   ? -5.288  22.391  30.208 1.000 33.370 0 464 HOH AAA O   1 ? 
HETATM 1524 O O   . HOH C 3 .   ? 8.651   4.268   29.395 1.000 34.978 0 465 HOH AAA O   1 ? 
HETATM 1525 O O   . HOH C 3 .   ? 13.945  21.919  14.011 1.000 14.816 0 466 HOH AAA O   1 ? 
HETATM 1526 O O   . HOH C 3 .   ? -4.482  31.705  10.617 1.000 48.473 0 467 HOH AAA O   1 ? 
HETATM 1527 O O   . HOH C 3 .   ? 22.868  17.017  17.687 1.000 41.595 0 468 HOH AAA O   1 ? 
HETATM 1528 O O   . HOH C 3 .   ? 10.227  4.728   27.497 1.000 30.012 0 469 HOH AAA O   1 ? 
HETATM 1529 O O   . HOH C 3 .   ? -9.512  -8.391  15.429 1.000 34.149 0 470 HOH AAA O   1 ? 
HETATM 1530 O O   . HOH C 3 .   ? -13.578 19.048  17.451 1.000 27.190 0 471 HOH AAA O   1 ? 
HETATM 1531 O O   . HOH C 3 .   ? -8.035  4.325   18.917 1.000 26.352 0 472 HOH AAA O   1 ? 
HETATM 1532 O O   . HOH C 3 .   ? -2.030  -5.185  8.969  1.000 27.388 0 473 HOH AAA O   1 ? 
HETATM 1533 O O   . HOH C 3 .   ? -8.850  12.477  13.310 1.000 34.353 0 474 HOH AAA O   1 ? 
HETATM 1534 O O   . HOH C 3 .   ? -6.750  -8.338  20.386 1.000 44.634 0 475 HOH AAA O   1 ? 
HETATM 1535 O O   . HOH C 3 .   ? -1.570  -4.633  13.923 1.000 27.115 0 476 HOH AAA O   1 ? 
HETATM 1536 O O   . HOH C 3 .   ? 12.283  26.064  2.604  1.000 32.917 0 477 HOH AAA O   1 ? 
HETATM 1537 O O   . HOH C 3 .   ? -3.169  18.645  40.807 1.000 37.593 0 478 HOH AAA O   1 ? 
HETATM 1538 O O   . HOH C 3 .   ? 27.696  19.746  15.021 1.000 37.389 0 479 HOH AAA O   1 ? 
HETATM 1539 O O   . HOH C 3 .   ? 7.227   28.224  2.953  1.000 40.039 0 480 HOH AAA O   1 ? 
HETATM 1540 O O   . HOH C 3 .   ? 20.023  2.011   21.514 1.000 19.844 0 481 HOH AAA O   1 ? 
HETATM 1541 O O   . HOH C 3 .   ? -13.208 18.343  23.894 1.000 28.937 0 482 HOH AAA O   1 ? 
HETATM 1542 O O   . HOH C 3 .   ? -7.337  -0.365  6.618  1.000 44.171 0 483 HOH AAA O   1 ? 
HETATM 1543 O O   . HOH C 3 .   ? 6.785   17.838  30.908 1.000 35.064 0 484 HOH AAA O   1 ? 
HETATM 1544 O O   . HOH C 3 .   ? 7.754   19.605  23.593 1.000 24.570 0 485 HOH AAA O   1 ? 
HETATM 1545 O O   . HOH C 3 .   ? -10.889 16.643  24.289 1.000 30.754 0 486 HOH AAA O   1 ? 
HETATM 1546 O O   . HOH C 3 .   ? -15.223 17.736  15.304 1.000 30.556 0 487 HOH AAA O   1 ? 
HETATM 1547 O O   . HOH C 3 .   ? -2.433  19.717  8.348  1.000 29.612 0 488 HOH AAA O   1 ? 
HETATM 1548 O O   . HOH C 3 .   ? 17.519  14.860  10.397 1.000 24.634 0 489 HOH AAA O   1 ? 
HETATM 1549 O O   . HOH C 3 .   ? 18.771  13.248  12.260 1.000 20.543 0 490 HOH AAA O   1 ? 
HETATM 1550 O O   . HOH C 3 .   ? 14.999  -0.357  11.446 1.000 34.136 0 491 HOH AAA O   1 ? 
HETATM 1551 O O   . HOH C 3 .   ? 23.587  14.394  21.849 1.000 41.544 0 492 HOH AAA O   1 ? 
HETATM 1552 O O   . HOH C 3 .   ? 6.571   16.080  36.929 1.000 52.343 0 493 HOH AAA O   1 ? 
HETATM 1553 O O   . HOH C 3 .   ? 17.975  10.522  12.373 1.000 23.656 0 494 HOH AAA O   1 ? 
HETATM 1554 O O   . HOH C 3 .   ? 16.485  25.528  3.947  1.000 42.052 0 495 HOH AAA O   1 ? 
HETATM 1555 O O   . HOH C 3 .   ? -7.268  24.009  28.884 1.000 62.451 0 496 HOH AAA O   1 ? 
HETATM 1556 O O   . HOH C 3 .   ? 22.460  16.202  19.745 1.000 31.981 0 497 HOH AAA O   1 ? 
HETATM 1557 O O   . HOH C 3 .   ? 9.984   24.588  2.467  1.000 22.710 0 498 HOH AAA O   1 ? 
HETATM 1558 O O   . HOH C 3 .   ? 13.857  25.659  5.001  1.000 29.657 0 499 HOH AAA O   1 ? 
HETATM 1559 O O   . HOH C 3 .   ? 0.033   34.264  31.976 1.000 38.036 0 500 HOH AAA O   1 ? 
HETATM 1560 O O   . HOH C 3 .   ? -12.990 27.136  13.904 1.000 29.943 0 501 HOH AAA O   1 ? 
HETATM 1561 O O   . HOH C 3 .   ? -7.081  10.198  6.904  1.000 38.875 0 502 HOH AAA O   1 ? 
HETATM 1562 O O   . HOH C 3 .   ? 7.080   14.059  34.052 1.000 32.388 0 503 HOH AAA O   1 ? 
HETATM 1563 O O   . HOH C 3 .   ? -13.263 29.801  14.605 1.000 38.467 0 504 HOH AAA O   1 ? 
HETATM 1564 O O   . HOH C 3 .   ? -5.742  39.806  24.631 1.000 37.208 0 505 HOH AAA O   1 ? 
HETATM 1565 O O   . HOH C 3 .   ? -4.133  32.502  33.311 1.000 35.365 0 506 HOH AAA O   1 ? 
HETATM 1566 O O   . HOH C 3 .   ? 9.947   10.970  34.400 1.000 35.442 0 507 HOH AAA O   1 ? 
HETATM 1567 O O   . HOH C 3 .   ? 2.192   36.240  24.768 1.000 35.057 0 508 HOH AAA O   1 ? 
HETATM 1568 O O   . HOH C 3 .   ? 0.391   34.084  35.899 1.000 25.745 0 509 HOH AAA O   1 ? 
HETATM 1569 O O   . HOH C 3 .   ? -3.966  30.112  36.674 1.000 38.718 0 510 HOH AAA O   1 ? 
HETATM 1570 O O   . HOH C 3 .   ? -1.378  15.459  2.339  1.000 34.204 0 511 HOH AAA O   1 ? 
HETATM 1571 O O   . HOH C 3 .   ? -3.638  15.022  3.874  1.000 39.729 0 512 HOH AAA O   1 ? 
HETATM 1572 O O   . HOH C 3 .   ? 9.933   27.916  34.240 1.000 34.343 0 513 HOH AAA O   1 ? 
HETATM 1573 O O   . HOH C 3 .   ? 11.324  22.302  14.772 1.000 13.452 0 514 HOH AAA O   1 ? 
HETATM 1574 O O   . HOH C 3 .   ? 9.761   23.459  10.469 1.000 29.353 0 515 HOH AAA O   1 ? 
HETATM 1575 O O   . HOH C 3 .   ? 1.263   20.666  8.092  1.000 18.663 0 516 HOH AAA O   1 ? 
HETATM 1576 O O   . HOH C 3 .   ? -7.801  2.470   7.942  1.000 38.566 0 517 HOH AAA O   1 ? 
HETATM 1577 O O   . HOH C 3 .   ? 16.453  16.453  0.000  0.500 34.353 0 518 HOH AAA O   1 ? 
HETATM 1578 O O   . HOH C 3 .   ? 14.040  -0.059  1.890  1.000 37.153 0 519 HOH AAA O   1 ? 
HETATM 1579 O O   . HOH C 3 .   ? -1.454  14.723  -0.899 1.000 36.721 0 520 HOH AAA O   1 ? 
HETATM 1580 O O   . HOH C 3 .   ? 11.982  23.566  8.945  1.000 24.515 0 521 HOH AAA O   1 ? 
HETATM 1581 O O   . HOH C 3 .   ? -8.852  0.702   4.454  1.000 34.379 0 522 HOH AAA O   1 ? 
HETATM 1582 O O   . HOH C 3 .   ? -8.131  -2.832  3.249  1.000 45.468 0 523 HOH AAA O   1 ? 
# 
