data_7HND
# 
_entry.id   7HND 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.399 
_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   7HND         pdb_00007hnd 10.2210/pdb7hnd/pdb 
WWPDB D_1001407691 ?            ?                   
# 
_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       2024-11-27 
# 
_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.entry_id                        7HND 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-04 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.SG_entry                        ? 
_pdbx_database_status.pdb_format_compatible           Y 
_pdbx_database_status.methods_development_category    ? 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.email              knapp@pharmchem.uni-frankfurt.de 
_pdbx_contact_author.name_first         Stefan 
_pdbx_contact_author.name_last          Knapp 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-5995-6494 
_pdbx_contact_author.name_mi            ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Kim, Y.'                              1 
'Marples, P.'                          2 
'Fearon, D.'                           3 
'von Delft, F.'                        4 
'Knapp, S.'                            5 
'Kraemer, A.'                          6 
'Structural Genomics Consortium (SGC)' 7 
# 
_citation.id                        primary 
_citation.title                     'PanDDA analysis group deposition' 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_volume            ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.year                      ? 
_citation.journal_id_ASTM           ? 
_citation.country                   ? 
_citation.journal_id_ISSN           ? 
_citation.journal_id_CSD            0353 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_DOI      ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.identifier_ORCID 
_citation_author.ordinal 
primary 'Kim, Y.'                              ? 1 
primary 'Marples, P.'                          ? 2 
primary 'Fearon, D.'                           ? 3 
primary 'von Delft, F.'                        ? 4 
primary 'Knapp, S.'                            ? 5 
primary 'Kraemer, A.'                          ? 6 
primary 'Structural Genomics Consortium (SGC)' ? 7 
# 
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 'E3 ubiquitin-protein ligase TRIM21'       21596.361 1   2.3.2.27 ? ? ? 
2 non-polymer syn '~{N}-[2-(2-methylphenyl)ethyl]ethanamide' 177.243   1   ?        ? ? ? 
3 non-polymer syn 1,2-ETHANEDIOL                             62.068    1   ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                              96.063    1   ?        ? ? ? 
5 water       nat water                                      18.015    141 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;52 kDa Ro protein,52 kDa ribonucleoprotein autoantigen Ro/SS-A,Ro(SS-A),Sjoegren syndrome type A antigen,SS-A,Tripartite motif-containing protein 21
;
# 
_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       
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_strand_id                 B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 '~{N}-[2-(2-methylphenyl)ethyl]ethanamide' U78 
3 1,2-ETHANEDIOL                             EDO 
4 'SULFATE ION'                              SO4 
5 water                                      HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   HIS n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   MET n 
1 9   VAL n 
1 10  HIS n 
1 11  ILE n 
1 12  THR n 
1 13  LEU n 
1 14  ASP n 
1 15  ARG n 
1 16  ASN n 
1 17  THR n 
1 18  ALA n 
1 19  ASN n 
1 20  SER n 
1 21  TRP n 
1 22  LEU n 
1 23  ILE n 
1 24  ILE n 
1 25  SER n 
1 26  LYS n 
1 27  ASP n 
1 28  ARG n 
1 29  ARG n 
1 30  GLN n 
1 31  VAL n 
1 32  ARG n 
1 33  MET n 
1 34  GLY n 
1 35  ASP n 
1 36  THR n 
1 37  HIS n 
1 38  GLN n 
1 39  ASN n 
1 40  VAL n 
1 41  SER n 
1 42  ASP n 
1 43  ASN n 
1 44  LYS n 
1 45  GLU n 
1 46  ARG n 
1 47  PHE n 
1 48  SER n 
1 49  ASN n 
1 50  TYR n 
1 51  PRO n 
1 52  MET n 
1 53  VAL n 
1 54  LEU n 
1 55  GLY n 
1 56  ALA n 
1 57  GLN n 
1 58  ARG n 
1 59  PHE n 
1 60  SER n 
1 61  SER n 
1 62  GLY n 
1 63  LYS n 
1 64  MET n 
1 65  TYR n 
1 66  TRP n 
1 67  GLU n 
1 68  VAL n 
1 69  ASP n 
1 70  VAL n 
1 71  THR n 
1 72  GLN n 
1 73  LYS n 
1 74  GLU n 
1 75  ALA n 
1 76  TRP n 
1 77  ASP n 
1 78  LEU n 
1 79  GLY n 
1 80  VAL n 
1 81  CYS n 
1 82  ARG n 
1 83  ASP n 
1 84  SER n 
1 85  VAL n 
1 86  GLN n 
1 87  ARG n 
1 88  LYS n 
1 89  GLY n 
1 90  GLN n 
1 91  PHE n 
1 92  SER n 
1 93  LEU n 
1 94  SER n 
1 95  PRO n 
1 96  GLU n 
1 97  ASN n 
1 98  GLY n 
1 99  PHE n 
1 100 TRP n 
1 101 THR n 
1 102 ILE n 
1 103 TRP n 
1 104 LEU n 
1 105 TRP n 
1 106 GLN n 
1 107 ASP n 
1 108 SER n 
1 109 TYR n 
1 110 GLU n 
1 111 ALA n 
1 112 GLY n 
1 113 THR n 
1 114 SER n 
1 115 PRO n 
1 116 GLN n 
1 117 THR n 
1 118 THR n 
1 119 LEU n 
1 120 HIS n 
1 121 ILE n 
1 122 GLN n 
1 123 VAL n 
1 124 PRO n 
1 125 PRO n 
1 126 CYS n 
1 127 GLN n 
1 128 ILE n 
1 129 GLY n 
1 130 ILE n 
1 131 PHE n 
1 132 VAL n 
1 133 ASP n 
1 134 TYR n 
1 135 GLU n 
1 136 ALA n 
1 137 GLY n 
1 138 VAL n 
1 139 VAL n 
1 140 SER n 
1 141 PHE n 
1 142 TYR n 
1 143 ASN n 
1 144 ILE n 
1 145 THR n 
1 146 ASP n 
1 147 HIS n 
1 148 GLY n 
1 149 SER n 
1 150 LEU n 
1 151 ILE n 
1 152 TYR n 
1 153 THR n 
1 154 PHE n 
1 155 SER n 
1 156 GLU n 
1 157 CYS n 
1 158 VAL n 
1 159 PHE n 
1 160 ALA n 
1 161 GLY n 
1 162 PRO n 
1 163 LEU n 
1 164 ARG n 
1 165 PRO n 
1 166 PHE n 
1 167 PHE n 
1 168 ASN n 
1 169 VAL n 
1 170 GLY n 
1 171 PHE n 
1 172 ASN n 
1 173 TYR n 
1 174 SER n 
1 175 GLY n 
1 176 GLY n 
1 177 ASN n 
1 178 ALA n 
1 179 ALA n 
1 180 PRO n 
1 181 LEU n 
1 182 LYS n 
1 183 LEU n 
1 184 CYS n 
1 185 PRO n 
1 186 LEU n 
1 187 LYS n 
1 188 MET 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                   188 
_entity_src_gen.gene_src_common_name               'house mouse' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'Trim21, Ro52, Ssa1' 
_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      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_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 
EDO non-polymer         . 1,2-ETHANEDIOL                             'ETHYLENE GLYCOL' 'C2 H6 O2'       62.068  
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 
U78 non-polymer         . '~{N}-[2-(2-methylphenyl)ethyl]ethanamide' ?                 'C11 H15 N O'    177.243 
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   MET 1   7   ?   ?   ?   B . n 
A 1 2   HIS 2   8   8   HIS HIS B . n 
A 1 3   HIS 3   9   9   HIS HIS B . n 
A 1 4   HIS 4   10  10  HIS HIS B . n 
A 1 5   HIS 5   11  11  HIS HIS B . n 
A 1 6   HIS 6   12  12  HIS HIS B . n 
A 1 7   HIS 7   13  13  HIS HIS B . n 
A 1 8   MET 8   14  14  MET MET B . n 
A 1 9   VAL 9   15  15  VAL VAL B . n 
A 1 10  HIS 10  16  16  HIS HIS B . n 
A 1 11  ILE 11  17  17  ILE ILE B . n 
A 1 12  THR 12  18  18  THR THR B . n 
A 1 13  LEU 13  19  19  LEU LEU B . n 
A 1 14  ASP 14  20  20  ASP ASP B . n 
A 1 15  ARG 15  21  21  ARG ARG B . n 
A 1 16  ASN 16  22  22  ASN ASN B . n 
A 1 17  THR 17  23  23  THR THR B . n 
A 1 18  ALA 18  24  24  ALA ALA B . n 
A 1 19  ASN 19  25  25  ASN ASN B . n 
A 1 20  SER 20  26  26  SER SER B . n 
A 1 21  TRP 21  27  27  TRP TRP B . n 
A 1 22  LEU 22  28  28  LEU LEU B . n 
A 1 23  ILE 23  29  29  ILE ILE B . n 
A 1 24  ILE 24  30  30  ILE ILE B . n 
A 1 25  SER 25  31  31  SER SER B . n 
A 1 26  LYS 26  32  32  LYS LYS B . n 
A 1 27  ASP 27  33  33  ASP ASP B . n 
A 1 28  ARG 28  34  34  ARG ARG B . n 
A 1 29  ARG 29  35  35  ARG ARG B . n 
A 1 30  GLN 30  36  36  GLN GLN B . n 
A 1 31  VAL 31  37  37  VAL VAL B . n 
A 1 32  ARG 32  38  38  ARG ARG B . n 
A 1 33  MET 33  39  39  MET MET B . n 
A 1 34  GLY 34  40  40  GLY GLY B . n 
A 1 35  ASP 35  41  41  ASP ASP B . n 
A 1 36  THR 36  42  42  THR THR B . n 
A 1 37  HIS 37  43  43  HIS HIS B . n 
A 1 38  GLN 38  44  44  GLN GLN B . n 
A 1 39  ASN 39  45  45  ASN ASN B . n 
A 1 40  VAL 40  46  46  VAL VAL B . n 
A 1 41  SER 41  47  47  SER SER B . n 
A 1 42  ASP 42  48  48  ASP ASP B . n 
A 1 43  ASN 43  49  49  ASN ASN B . n 
A 1 44  LYS 44  50  50  LYS LYS B . n 
A 1 45  GLU 45  51  51  GLU GLU B . n 
A 1 46  ARG 46  52  52  ARG ARG B . n 
A 1 47  PHE 47  53  53  PHE PHE B . n 
A 1 48  SER 48  54  54  SER SER B . n 
A 1 49  ASN 49  55  55  ASN ASN B . n 
A 1 50  TYR 50  56  56  TYR TYR B . n 
A 1 51  PRO 51  57  57  PRO PRO B . n 
A 1 52  MET 52  58  58  MET MET B . n 
A 1 53  VAL 53  59  59  VAL VAL B . n 
A 1 54  LEU 54  60  60  LEU LEU B . n 
A 1 55  GLY 55  61  61  GLY GLY B . n 
A 1 56  ALA 56  62  62  ALA ALA B . n 
A 1 57  GLN 57  63  63  GLN GLN B . n 
A 1 58  ARG 58  64  64  ARG ARG B . n 
A 1 59  PHE 59  65  65  PHE PHE B . n 
A 1 60  SER 60  66  66  SER SER B . n 
A 1 61  SER 61  67  67  SER SER B . n 
A 1 62  GLY 62  68  68  GLY GLY B . n 
A 1 63  LYS 63  69  69  LYS LYS B . n 
A 1 64  MET 64  70  70  MET MET B . n 
A 1 65  TYR 65  71  71  TYR TYR B . n 
A 1 66  TRP 66  72  72  TRP TRP B . n 
A 1 67  GLU 67  73  73  GLU GLU B . n 
A 1 68  VAL 68  74  74  VAL VAL B . n 
A 1 69  ASP 69  75  75  ASP ASP B . n 
A 1 70  VAL 70  76  76  VAL VAL B . n 
A 1 71  THR 71  77  77  THR THR B . n 
A 1 72  GLN 72  78  78  GLN GLN B . n 
A 1 73  LYS 73  79  79  LYS LYS B . n 
A 1 74  GLU 74  80  80  GLU GLU B . n 
A 1 75  ALA 75  81  81  ALA ALA B . n 
A 1 76  TRP 76  82  82  TRP TRP B . n 
A 1 77  ASP 77  83  83  ASP ASP B . n 
A 1 78  LEU 78  84  84  LEU LEU B . n 
A 1 79  GLY 79  85  85  GLY GLY B . n 
A 1 80  VAL 80  86  86  VAL VAL B . n 
A 1 81  CYS 81  87  87  CYS CYS B . n 
A 1 82  ARG 82  88  88  ARG ARG B . n 
A 1 83  ASP 83  89  89  ASP ASP B . n 
A 1 84  SER 84  90  90  SER SER B . n 
A 1 85  VAL 85  91  91  VAL VAL B . n 
A 1 86  GLN 86  92  92  GLN GLN B . n 
A 1 87  ARG 87  93  93  ARG ARG B . n 
A 1 88  LYS 88  94  94  LYS LYS B . n 
A 1 89  GLY 89  95  95  GLY GLY B . n 
A 1 90  GLN 90  96  96  GLN GLN B . n 
A 1 91  PHE 91  97  97  PHE PHE B . n 
A 1 92  SER 92  98  98  SER SER B . n 
A 1 93  LEU 93  99  99  LEU LEU B . n 
A 1 94  SER 94  100 100 SER SER B . n 
A 1 95  PRO 95  101 101 PRO PRO B . n 
A 1 96  GLU 96  102 102 GLU GLU B . n 
A 1 97  ASN 97  103 103 ASN ASN B . n 
A 1 98  GLY 98  104 104 GLY GLY B . n 
A 1 99  PHE 99  105 105 PHE PHE B . n 
A 1 100 TRP 100 106 106 TRP TRP B . n 
A 1 101 THR 101 107 107 THR THR B . n 
A 1 102 ILE 102 108 108 ILE ILE B . n 
A 1 103 TRP 103 109 109 TRP TRP B . n 
A 1 104 LEU 104 110 110 LEU LEU B . n 
A 1 105 TRP 105 111 111 TRP TRP B . n 
A 1 106 GLN 106 112 112 GLN GLN B . n 
A 1 107 ASP 107 113 113 ASP ASP B . n 
A 1 108 SER 108 114 114 SER SER B . n 
A 1 109 TYR 109 115 115 TYR TYR B . n 
A 1 110 GLU 110 116 116 GLU GLU B . n 
A 1 111 ALA 111 117 117 ALA ALA B . n 
A 1 112 GLY 112 118 118 GLY GLY B . n 
A 1 113 THR 113 119 119 THR THR B . n 
A 1 114 SER 114 120 120 SER SER B . n 
A 1 115 PRO 115 121 121 PRO PRO B . n 
A 1 116 GLN 116 122 122 GLN GLN B . n 
A 1 117 THR 117 123 123 THR THR B . n 
A 1 118 THR 118 124 124 THR THR B . n 
A 1 119 LEU 119 125 125 LEU LEU B . n 
A 1 120 HIS 120 126 126 HIS HIS B . n 
A 1 121 ILE 121 127 127 ILE ILE B . n 
A 1 122 GLN 122 128 128 GLN GLN B . n 
A 1 123 VAL 123 129 129 VAL VAL B . n 
A 1 124 PRO 124 130 130 PRO PRO B . n 
A 1 125 PRO 125 131 131 PRO PRO B . n 
A 1 126 CYS 126 132 132 CYS CYS B . n 
A 1 127 GLN 127 133 133 GLN GLN B . n 
A 1 128 ILE 128 134 134 ILE ILE B . n 
A 1 129 GLY 129 135 135 GLY GLY B . n 
A 1 130 ILE 130 136 136 ILE ILE B . n 
A 1 131 PHE 131 137 137 PHE PHE B . n 
A 1 132 VAL 132 138 138 VAL VAL B . n 
A 1 133 ASP 133 139 139 ASP ASP B . n 
A 1 134 TYR 134 140 140 TYR TYR B . n 
A 1 135 GLU 135 141 141 GLU GLU B . n 
A 1 136 ALA 136 142 142 ALA ALA B . n 
A 1 137 GLY 137 143 143 GLY GLY B . n 
A 1 138 VAL 138 144 144 VAL VAL B . n 
A 1 139 VAL 139 145 145 VAL VAL B . n 
A 1 140 SER 140 146 146 SER SER B . n 
A 1 141 PHE 141 147 147 PHE PHE B . n 
A 1 142 TYR 142 148 148 TYR TYR B . n 
A 1 143 ASN 143 149 149 ASN ASN B . n 
A 1 144 ILE 144 150 150 ILE ILE B . n 
A 1 145 THR 145 151 151 THR THR B . n 
A 1 146 ASP 146 152 152 ASP ASP B . n 
A 1 147 HIS 147 153 153 HIS HIS B . n 
A 1 148 GLY 148 154 154 GLY GLY B . n 
A 1 149 SER 149 155 155 SER SER B . n 
A 1 150 LEU 150 156 156 LEU LEU B . n 
A 1 151 ILE 151 157 157 ILE ILE B . n 
A 1 152 TYR 152 158 158 TYR TYR B . n 
A 1 153 THR 153 159 159 THR THR B . n 
A 1 154 PHE 154 160 160 PHE PHE B . n 
A 1 155 SER 155 161 161 SER SER B . n 
A 1 156 GLU 156 162 162 GLU GLU B . n 
A 1 157 CYS 157 163 163 CYS CYS B . n 
A 1 158 VAL 158 164 164 VAL VAL B . n 
A 1 159 PHE 159 165 165 PHE PHE B . n 
A 1 160 ALA 160 166 166 ALA ALA B . n 
A 1 161 GLY 161 167 167 GLY GLY B . n 
A 1 162 PRO 162 168 168 PRO PRO B . n 
A 1 163 LEU 163 169 169 LEU LEU B . n 
A 1 164 ARG 164 170 170 ARG ARG B . n 
A 1 165 PRO 165 171 171 PRO PRO B . n 
A 1 166 PHE 166 172 172 PHE PHE B . n 
A 1 167 PHE 167 173 173 PHE PHE B . n 
A 1 168 ASN 168 174 174 ASN ASN B . n 
A 1 169 VAL 169 175 175 VAL VAL B . n 
A 1 170 GLY 170 176 176 GLY GLY B . n 
A 1 171 PHE 171 177 177 PHE PHE B . n 
A 1 172 ASN 172 178 178 ASN ASN B . n 
A 1 173 TYR 173 179 179 TYR TYR B . n 
A 1 174 SER 174 180 180 SER SER B . n 
A 1 175 GLY 175 181 181 GLY GLY B . n 
A 1 176 GLY 176 182 182 GLY GLY B . n 
A 1 177 ASN 177 183 183 ASN ASN B . n 
A 1 178 ALA 178 184 184 ALA ALA B . n 
A 1 179 ALA 179 185 185 ALA ALA B . n 
A 1 180 PRO 180 186 186 PRO PRO B . n 
A 1 181 LEU 181 187 187 LEU LEU B . n 
A 1 182 LYS 182 188 188 LYS LYS B . n 
A 1 183 LEU 183 189 189 LEU LEU B . n 
A 1 184 CYS 184 190 190 CYS CYS B . n 
A 1 185 PRO 185 191 191 PRO PRO B . n 
A 1 186 LEU 186 192 192 LEU LEU B . n 
A 1 187 LYS 187 193 ?   ?   ?   B . n 
A 1 188 MET 188 194 ?   ?   ?   B . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        U78 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   U78 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
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 U78 1   201 302 U78 LIG B . 
C 3 EDO 1   202 305 EDO EDO B . 
D 4 SO4 1   203 1   SO4 SO4 B . 
E 5 HOH 1   301 11  HOH HOH B . 
E 5 HOH 2   302 12  HOH HOH B . 
E 5 HOH 3   303 2   HOH HOH B . 
E 5 HOH 4   304 22  HOH HOH B . 
E 5 HOH 5   305 1   HOH HOH B . 
E 5 HOH 6   306 33  HOH HOH B . 
E 5 HOH 7   307 29  HOH HOH B . 
E 5 HOH 8   308 95  HOH HOH B . 
E 5 HOH 9   309 26  HOH HOH B . 
E 5 HOH 10  310 63  HOH HOH B . 
E 5 HOH 11  311 40  HOH HOH B . 
E 5 HOH 12  312 5   HOH HOH B . 
E 5 HOH 13  313 90  HOH HOH B . 
E 5 HOH 14  314 51  HOH HOH B . 
E 5 HOH 15  315 27  HOH HOH B . 
E 5 HOH 16  316 4   HOH HOH B . 
E 5 HOH 17  317 281 HOH HOH B . 
E 5 HOH 18  318 16  HOH HOH B . 
E 5 HOH 19  319 102 HOH HOH B . 
E 5 HOH 20  320 10  HOH HOH B . 
E 5 HOH 21  321 21  HOH HOH B . 
E 5 HOH 22  322 36  HOH HOH B . 
E 5 HOH 23  323 66  HOH HOH B . 
E 5 HOH 24  324 70  HOH HOH B . 
E 5 HOH 25  325 116 HOH HOH B . 
E 5 HOH 26  326 72  HOH HOH B . 
E 5 HOH 27  327 99  HOH HOH B . 
E 5 HOH 28  328 39  HOH HOH B . 
E 5 HOH 29  329 11  HOH HOH B . 
E 5 HOH 30  330 129 HOH HOH B . 
E 5 HOH 31  331 27  HOH HOH B . 
E 5 HOH 32  332 68  HOH HOH B . 
E 5 HOH 33  333 25  HOH HOH B . 
E 5 HOH 34  334 28  HOH HOH B . 
E 5 HOH 35  335 100 HOH HOH B . 
E 5 HOH 36  336 15  HOH HOH B . 
E 5 HOH 37  337 18  HOH HOH B . 
E 5 HOH 38  338 214 HOH HOH B . 
E 5 HOH 39  339 34  HOH HOH B . 
E 5 HOH 40  340 126 HOH HOH B . 
E 5 HOH 41  341 7   HOH HOH B . 
E 5 HOH 42  342 29  HOH HOH B . 
E 5 HOH 43  343 31  HOH HOH B . 
E 5 HOH 44  344 16  HOH HOH B . 
E 5 HOH 45  345 2   HOH HOH B . 
E 5 HOH 46  346 19  HOH HOH B . 
E 5 HOH 47  347 80  HOH HOH B . 
E 5 HOH 48  348 267 HOH HOH B . 
E 5 HOH 49  349 20  HOH HOH B . 
E 5 HOH 50  350 89  HOH HOH B . 
E 5 HOH 51  351 26  HOH HOH B . 
E 5 HOH 52  352 50  HOH HOH B . 
E 5 HOH 53  353 30  HOH HOH B . 
E 5 HOH 54  354 22  HOH HOH B . 
E 5 HOH 55  355 43  HOH HOH B . 
E 5 HOH 56  356 4   HOH HOH B . 
E 5 HOH 57  357 6   HOH HOH B . 
E 5 HOH 58  358 58  HOH HOH B . 
E 5 HOH 59  359 55  HOH HOH B . 
E 5 HOH 60  360 184 HOH HOH B . 
E 5 HOH 61  361 3   HOH HOH B . 
E 5 HOH 62  362 211 HOH HOH B . 
E 5 HOH 63  363 59  HOH HOH B . 
E 5 HOH 64  364 86  HOH HOH B . 
E 5 HOH 65  365 32  HOH HOH B . 
E 5 HOH 66  366 10  HOH HOH B . 
E 5 HOH 67  367 172 HOH HOH B . 
E 5 HOH 68  368 62  HOH HOH B . 
E 5 HOH 69  369 71  HOH HOH B . 
E 5 HOH 70  370 157 HOH HOH B . 
E 5 HOH 71  371 93  HOH HOH B . 
E 5 HOH 72  372 1   HOH HOH B . 
E 5 HOH 73  373 76  HOH HOH B . 
E 5 HOH 74  374 47  HOH HOH B . 
E 5 HOH 75  375 61  HOH HOH B . 
E 5 HOH 76  376 25  HOH HOH B . 
E 5 HOH 77  377 156 HOH HOH B . 
E 5 HOH 78  378 304 HOH HOH B . 
E 5 HOH 79  379 81  HOH HOH B . 
E 5 HOH 80  380 17  HOH HOH B . 
E 5 HOH 81  381 137 HOH HOH B . 
E 5 HOH 82  382 33  HOH HOH B . 
E 5 HOH 83  383 3   HOH HOH B . 
E 5 HOH 84  384 8   HOH HOH B . 
E 5 HOH 85  385 303 HOH HOH B . 
E 5 HOH 86  386 42  HOH HOH B . 
E 5 HOH 87  387 64  HOH HOH B . 
E 5 HOH 88  388 125 HOH HOH B . 
E 5 HOH 89  389 32  HOH HOH B . 
E 5 HOH 90  390 48  HOH HOH B . 
E 5 HOH 91  391 97  HOH HOH B . 
E 5 HOH 92  392 23  HOH HOH B . 
E 5 HOH 93  393 103 HOH HOH B . 
E 5 HOH 94  394 46  HOH HOH B . 
E 5 HOH 95  395 12  HOH HOH B . 
E 5 HOH 96  396 57  HOH HOH B . 
E 5 HOH 97  397 54  HOH HOH B . 
E 5 HOH 98  398 60  HOH HOH B . 
E 5 HOH 99  399 49  HOH HOH B . 
E 5 HOH 100 400 24  HOH HOH B . 
E 5 HOH 101 401 197 HOH HOH B . 
E 5 HOH 102 402 56  HOH HOH B . 
E 5 HOH 103 403 14  HOH HOH B . 
E 5 HOH 104 404 8   HOH HOH B . 
E 5 HOH 105 405 7   HOH HOH B . 
E 5 HOH 106 406 20  HOH HOH B . 
E 5 HOH 107 407 154 HOH HOH B . 
E 5 HOH 108 408 13  HOH HOH B . 
E 5 HOH 109 409 18  HOH HOH B . 
E 5 HOH 110 410 15  HOH HOH B . 
E 5 HOH 111 411 38  HOH HOH B . 
E 5 HOH 112 412 53  HOH HOH B . 
E 5 HOH 113 413 120 HOH HOH B . 
E 5 HOH 114 414 45  HOH HOH B . 
E 5 HOH 115 415 69  HOH HOH B . 
E 5 HOH 116 416 263 HOH HOH B . 
E 5 HOH 117 417 112 HOH HOH B . 
E 5 HOH 118 418 257 HOH HOH B . 
E 5 HOH 119 419 5   HOH HOH B . 
E 5 HOH 120 420 41  HOH HOH B . 
E 5 HOH 121 421 44  HOH HOH B . 
E 5 HOH 122 422 140 HOH HOH B . 
E 5 HOH 123 423 114 HOH HOH B . 
E 5 HOH 124 424 133 HOH HOH B . 
E 5 HOH 125 425 19  HOH HOH B . 
E 5 HOH 126 426 30  HOH HOH B . 
E 5 HOH 127 427 266 HOH HOH B . 
E 5 HOH 128 428 115 HOH HOH B . 
E 5 HOH 129 429 73  HOH HOH B . 
E 5 HOH 130 430 13  HOH HOH B . 
E 5 HOH 131 431 166 HOH HOH B . 
E 5 HOH 132 432 21  HOH HOH B . 
E 5 HOH 133 433 23  HOH HOH B . 
E 5 HOH 134 434 98  HOH HOH B . 
E 5 HOH 135 435 104 HOH HOH B . 
E 5 HOH 136 436 205 HOH HOH B . 
E 5 HOH 137 437 127 HOH HOH B . 
E 5 HOH 138 438 14  HOH HOH B . 
E 5 HOH 139 439 131 HOH HOH B . 
E 5 HOH 140 440 270 HOH HOH B . 
E 5 HOH 141 441 259 HOH HOH B . 
# 
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 B LEU 192 ? CG  ? A LEU 186 CG  
2 1 Y 1 B LEU 192 ? CD1 ? A LEU 186 CD1 
3 1 Y 1 B LEU 192 ? CD2 ? A LEU 186 CD2 
# 
loop_
_software.pdbx_ordinal 
_software.name 
_software.version 
_software.date 
_software.type 
_software.contact_author 
_software.contact_author_email 
_software.classification 
_software.location 
_software.language 
_software.citation_id 
1 REFMAC      5.8.0267 ?               program 'Garib N. Murshudov' garib@ysbl.york.ac.uk    refinement        
http://www.ccp4.ac.uk/dist/html/refmac5.html        Fortran_77 ? 
2 Aimless     0.7.7    23/04/21        program 'Phil Evans'         ?                        'data scaling'    
http://www.mrc-lmb.cam.ac.uk/harry/pre/aimless.html ?          ? 
3 PDB_EXTRACT 3.23     'SEP. 23, 2016' package PDB                  deposit@deposit.rcsb.org 'data extraction' 
http://sw-tools.pdb.org/apps/PDB_EXTRACT/           C++        ? 
4 XDS         .        ?               program ?                    ?                        'data reduction'  ? ?          ? 
5 REFMAC      .        ?               program ?                    ?                        phasing           ? ?          ? 
# 
_cell.entry_id           7HND 
_cell.length_a           95.387 
_cell.length_b           95.387 
_cell.length_c           45.881 
_cell.angle_alpha        90.000 
_cell.angle_beta         90.000 
_cell.angle_gamma        90.000 
_cell.Z_PDB              8 
_cell.pdbx_unique_axis   ? 
# 
_symmetry.entry_id                         7HND 
_symmetry.space_group_name_H-M             'I 4' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                79 
# 
_exptl.crystals_number   1 
_exptl.entry_id          7HND 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.42 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   49.09 
_exptl_crystal.size_max              ? 
_exptl_crystal.size_mid              ? 
_exptl_crystal.size_min              ? 
_exptl_crystal.size_rad              ? 
_exptl_crystal.description           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.pH              8 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.pdbx_details    '4 % PEG 400, 2 M AmmSO4, 0.1 M HEPES pH 8' 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           100 
_diffrn.crystal_id             1 
_diffrn.ambient_temp_details   ? 
# 
_diffrn_detector.detector               PIXEL 
_diffrn_detector.type                   'DECTRIS EIGER2 XE 9M' 
_diffrn_detector.pdbx_collection_date   2024-07-04 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.92134 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'DIAMOND BEAMLINE I04-1' 
_diffrn_source.pdbx_wavelength_list        0.92134 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HND 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             33.720 
_reflns.d_resolution_high            1.340 
_reflns.number_obs                   46407 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         99.900 
_reflns.pdbx_Rmerge_I_obs            0.116 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        12.700 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              11.800 
_reflns.pdbx_Rrim_I_all              0.121 
_reflns.pdbx_Rpim_I_all              0.034 
_reflns.pdbx_CC_half                 0.998 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     546720 
_reflns.pdbx_scaling_rejects         0 
_reflns.pdbx_chi_squared             ? 
_reflns.Rmerge_F_all                 ? 
_reflns.Rmerge_F_obs                 ? 
_reflns.observed_criterion_F_max     ? 
_reflns.observed_criterion_F_min     ? 
_reflns.observed_criterion_I_max     ? 
_reflns.observed_criterion_I_min     ? 
_reflns.pdbx_d_res_high_opt          ? 
_reflns.pdbx_d_res_low_opt           ? 
_reflns.details                      ? 
# 
loop_
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_ordinal 
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.number_measured_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_unique_obs 
_reflns_shell.pdbx_rejects 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_redundancy 
_reflns_shell.percent_possible_obs 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.Rmerge_I_all 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.percent_possible_all 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_CC_half 
1 1 1.340 1.360  ? 11805 2225 ? 2.020 ? ? ? 5.300  ? 0.500  ? ? ? ? ? ? 98.000 2.242 0.960 0.382 
1 2 7.340 33.720 ? 3713  307  ? 0.048 ? ? ? 12.100 ? 73.600 ? ? ? ? ? ? 99.200 0.051 0.016 0.998 
# 
_refine.entry_id                                 7HND 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.3400 
_refine.ls_d_res_low                             33.7500 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    99.8900 
_refine.ls_number_reflns_obs                     44168 
_refine.ls_number_reflns_all                     ? 
_refine.pdbx_ls_cross_valid_method               THROUGHOUT 
_refine.ls_matrix_type                           ? 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.details                                  
'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES      : REFINED INDIVIDUALLY' 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1837 
_refine.ls_R_factor_R_work                       0.1826 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.2038 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.8000 
_refine.ls_number_reflns_R_free                  2237 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               16.6550 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.1200 
_refine.aniso_B[2][2]                            0.1200 
_refine.aniso_B[3][3]                            -0.2400 
_refine.aniso_B[1][2]                            -0.0000 
_refine.aniso_B[1][3]                            -0.0000 
_refine.aniso_B[2][3]                            -0.0000 
_refine.correlation_coeff_Fo_to_Fc               0.9670 
_refine.correlation_coeff_Fo_to_Fc_free          0.9600 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.overall_SU_R_free                        ? 
_refine.pdbx_overall_ESU_R                       0.0570 
_refine.pdbx_overall_ESU_R_Free                  0.0580 
_refine.overall_SU_ML                            0.0510 
_refine.overall_SU_B                             1.3590 
_refine.solvent_model_details                    MASK 
_refine.pdbx_solvent_vdw_probe_radii             1.2000 
_refine.pdbx_solvent_ion_probe_radii             0.8000 
_refine.pdbx_solvent_shrinkage_radii             0.8000 
_refine.ls_number_parameters                     ? 
_refine.ls_number_restraints                     ? 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_method_to_determine_struct          'FOURIER SYNTHESIS' 
_refine.pdbx_stereochemistry_target_values       'MAXIMUM LIKELIHOOD' 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.B_iso_max                                72.420 
_refine.B_iso_min                                8.970 
_refine.pdbx_overall_phase_error                 ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.pdbx_diffrn_id                           1 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.ls_R_factor_R_free_error_details         ? 
# 
_refine_hist.cycle_id                         final 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.d_res_high                       1.3400 
_refine_hist.d_res_low                        33.7500 
_refine_hist.pdbx_number_atoms_ligand         22 
_refine_hist.number_atoms_solvent             141 
_refine_hist.number_atoms_total               1656 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           31.23 
_refine_hist.pdbx_B_iso_mean_solvent          27.43 
_refine_hist.pdbx_number_atoms_protein        1493 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.type 
_refine_ls_restr.number 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' r_bond_refined_d       2037 0.011  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1627 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2542 1.702  1.637  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3757 1.444  1.581  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 241  7.090  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 112  27.145 21.250 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 288  11.845 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   23.282 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         220  0.078  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2284 0.010  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     502  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            974  1.321  1.497  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         965  1.283  1.482  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1153 2.068  2.224  ? ? 
# 
_refine_ls_shell.d_res_high                       1.3400 
_refine_ls_shell.d_res_low                        1.3740 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               98.9800 
_refine_ls_shell.number_reflns_R_work             3242 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3460 
_refine_ls_shell.R_factor_R_free                  0.3550 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             146 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                3388 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HND 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z52314092' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HND 
_struct_keywords.text            'SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, TRIM21, 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 ? 
D N N 4 ? 
E N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    RO52_MOUSE 
_struct_ref.pdbx_db_accession          Q62191 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;VHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGVCRDSVQRK
GQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFAGPLRPFFN
VGFNYSGGNAAPLKLCPLKM
;
_struct_ref.pdbx_align_begin           291 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              7HND 
_struct_ref_seq.pdbx_strand_id                B 
_struct_ref_seq.seq_align_beg                 9 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 188 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q62191 
_struct_ref_seq.db_align_beg                  291 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  470 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       15 
_struct_ref_seq.pdbx_auth_seq_align_end       194 
# 
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 7HND MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HND HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HND HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HND HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HND HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HND HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HND HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HND MET B 8 ? UNP Q62191 ? ? 'expression tag'        14 8 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E 
# 
_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 HIS A 4  ? MET A 8  ? HIS B 10  MET B 14  5 ? 5 
HELX_P HELX_P2 AA2 ASP A 14 ? ALA A 18 ? ASP B 20  ALA B 24  5 ? 5 
HELX_P HELX_P3 AA3 SER A 94 ? ASN A 97 ? SER B 100 ASN B 103 5 ? 4 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           114 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            120 
_struct_mon_prot_cis.auth_asym_id           B 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    115 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     121 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    B 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -0.06 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 7 ? 
AA2 ? 6 ? 
# 
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 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? 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 LEU A 22  ? ILE A 24  ? LEU B 28  ILE B 30  
AA1 2 GLN A 30  ? MET A 33  ? GLN B 36  MET B 39  
AA1 3 LEU A 181 ? LEU A 183 ? LEU B 187 LEU B 189 
AA1 4 LYS A 63  ? ASP A 69  ? LYS B 69  ASP B 75  
AA1 5 GLN A 127 ? ASP A 133 ? GLN B 133 ASP B 139 
AA1 6 VAL A 138 ? ASN A 143 ? VAL B 144 ASN B 149 
AA1 7 SER A 149 ? PHE A 154 ? SER B 155 PHE B 160 
AA2 1 MET A 52  ? LEU A 54  ? MET B 58  LEU B 60  
AA2 2 LEU A 163 ? ASN A 168 ? LEU B 169 ASN B 174 
AA2 3 TRP A 76  ? ARG A 82  ? TRP B 82  ARG B 88  
AA2 4 PHE A 99  ? TRP A 105 ? PHE B 105 TRP B 111 
AA2 5 SER A 108 ? ALA A 111 ? SER B 114 ALA B 117 
AA2 6 THR A 117 ? THR A 118 ? THR B 123 THR B 124 
# 
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 ILE A 23  ? N ILE B 29  O ARG A 32  ? O ARG B 38  
AA1 2 3 N VAL A 31  ? N VAL B 37  O LEU A 181 ? O LEU B 187 
AA1 3 4 O LYS A 182 ? O LYS B 188 N ASP A 69  ? N ASP B 75  
AA1 4 5 N TRP A 66  ? N TRP B 72  O ILE A 130 ? O ILE B 136 
AA1 5 6 N PHE A 131 ? N PHE B 137 O SER A 140 ? O SER B 146 
AA1 6 7 N PHE A 141 ? N PHE B 147 O ILE A 151 ? O ILE B 157 
AA2 1 2 N VAL A 53  ? N VAL B 59  O PHE A 167 ? O PHE B 173 
AA2 2 3 O ARG A 164 ? O ARG B 170 N CYS A 81  ? N CYS B 87  
AA2 3 4 N VAL A 80  ? N VAL B 86  O TRP A 100 ? O TRP B 106 
AA2 4 5 N TRP A 105 ? N TRP B 111 O SER A 108 ? O SER B 114 
AA2 5 6 N ALA A 111 ? N ALA B 117 O THR A 117 ? O THR B 123 
# 
_pdbx_entry_details.entry_id                   7HND 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             CG 
_pdbx_validate_rmsd_angle.auth_asym_id_1             B 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_1              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CD 
_pdbx_validate_rmsd_angle.auth_asym_id_2             B 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_2              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             NE 
_pdbx_validate_rmsd_angle.auth_asym_id_3             B 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_3              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                125.75 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            13.95 
_pdbx_validate_rmsd_angle.angle_standard_deviation   2.10 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASN B 45  ? ? 72.68   31.89  
2 1 SER B 67  ? B 178.97  156.76 
3 1 ASP B 152 ? ? -102.00 54.88  
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    B 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     423 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   E 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
_phasing.method   MR 
# 
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 B MET 7   ? A MET 1   
2 1 Y 1 B LYS 193 ? A LYS 187 
3 1 Y 1 B MET 194 ? A MET 188 
# 
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  
EDO C1   C N N 88  
EDO O1   O N N 89  
EDO C2   C N N 90  
EDO O2   O N N 91  
EDO H11  H N N 92  
EDO H12  H N N 93  
EDO HO1  H N N 94  
EDO H21  H N N 95  
EDO H22  H N N 96  
EDO HO2  H N N 97  
GLN N    N N N 98  
GLN CA   C N S 99  
GLN C    C N N 100 
GLN O    O N N 101 
GLN CB   C N N 102 
GLN CG   C N N 103 
GLN CD   C N N 104 
GLN OE1  O N N 105 
GLN NE2  N N N 106 
GLN OXT  O N N 107 
GLN H    H N N 108 
GLN H2   H N N 109 
GLN HA   H N N 110 
GLN HB2  H N N 111 
GLN HB3  H N N 112 
GLN HG2  H N N 113 
GLN HG3  H N N 114 
GLN HE21 H N N 115 
GLN HE22 H N N 116 
GLN HXT  H N N 117 
GLU N    N N N 118 
GLU CA   C N S 119 
GLU C    C N N 120 
GLU O    O N N 121 
GLU CB   C N N 122 
GLU CG   C N N 123 
GLU CD   C N N 124 
GLU OE1  O N N 125 
GLU OE2  O N N 126 
GLU OXT  O N N 127 
GLU H    H N N 128 
GLU H2   H N N 129 
GLU HA   H N N 130 
GLU HB2  H N N 131 
GLU HB3  H N N 132 
GLU HG2  H N N 133 
GLU HG3  H N N 134 
GLU HE2  H N N 135 
GLU HXT  H N N 136 
GLY N    N N N 137 
GLY CA   C N N 138 
GLY C    C N N 139 
GLY O    O N N 140 
GLY OXT  O N N 141 
GLY H    H N N 142 
GLY H2   H N N 143 
GLY HA2  H N N 144 
GLY HA3  H N N 145 
GLY HXT  H N N 146 
HIS N    N N N 147 
HIS CA   C N S 148 
HIS C    C N N 149 
HIS O    O N N 150 
HIS CB   C N N 151 
HIS CG   C Y N 152 
HIS ND1  N Y N 153 
HIS CD2  C Y N 154 
HIS CE1  C Y N 155 
HIS NE2  N Y N 156 
HIS OXT  O N N 157 
HIS H    H N N 158 
HIS H2   H N N 159 
HIS HA   H N N 160 
HIS HB2  H N N 161 
HIS HB3  H N N 162 
HIS HD1  H N N 163 
HIS HD2  H N N 164 
HIS HE1  H N N 165 
HIS HE2  H N N 166 
HIS HXT  H N N 167 
HOH O    O N N 168 
HOH H1   H N N 169 
HOH H2   H N N 170 
ILE N    N N N 171 
ILE CA   C N S 172 
ILE C    C N N 173 
ILE O    O N N 174 
ILE CB   C N S 175 
ILE CG1  C N N 176 
ILE CG2  C N N 177 
ILE CD1  C N N 178 
ILE OXT  O N N 179 
ILE H    H N N 180 
ILE H2   H N N 181 
ILE HA   H N N 182 
ILE HB   H N N 183 
ILE HG12 H N N 184 
ILE HG13 H N N 185 
ILE HG21 H N N 186 
ILE HG22 H N N 187 
ILE HG23 H N N 188 
ILE HD11 H N N 189 
ILE HD12 H N N 190 
ILE HD13 H N N 191 
ILE HXT  H N N 192 
LEU N    N N N 193 
LEU CA   C N S 194 
LEU C    C N N 195 
LEU O    O N N 196 
LEU CB   C N N 197 
LEU CG   C N N 198 
LEU CD1  C N N 199 
LEU CD2  C N N 200 
LEU OXT  O N N 201 
LEU H    H N N 202 
LEU H2   H N N 203 
LEU HA   H N N 204 
LEU HB2  H N N 205 
LEU HB3  H N N 206 
LEU HG   H N N 207 
LEU HD11 H N N 208 
LEU HD12 H N N 209 
LEU HD13 H N N 210 
LEU HD21 H N N 211 
LEU HD22 H N N 212 
LEU HD23 H N N 213 
LEU HXT  H N N 214 
LYS N    N N N 215 
LYS CA   C N S 216 
LYS C    C N N 217 
LYS O    O N N 218 
LYS CB   C N N 219 
LYS CG   C N N 220 
LYS CD   C N N 221 
LYS CE   C N N 222 
LYS NZ   N N N 223 
LYS OXT  O N N 224 
LYS H    H N N 225 
LYS H2   H N N 226 
LYS HA   H N N 227 
LYS HB2  H N N 228 
LYS HB3  H N N 229 
LYS HG2  H N N 230 
LYS HG3  H N N 231 
LYS HD2  H N N 232 
LYS HD3  H N N 233 
LYS HE2  H N N 234 
LYS HE3  H N N 235 
LYS HZ1  H N N 236 
LYS HZ2  H N N 237 
LYS HZ3  H N N 238 
LYS HXT  H N N 239 
MET N    N N N 240 
MET CA   C N S 241 
MET C    C N N 242 
MET O    O N N 243 
MET CB   C N N 244 
MET CG   C N N 245 
MET SD   S N N 246 
MET CE   C N N 247 
MET OXT  O N N 248 
MET H    H N N 249 
MET H2   H N N 250 
MET HA   H N N 251 
MET HB2  H N N 252 
MET HB3  H N N 253 
MET HG2  H N N 254 
MET HG3  H N N 255 
MET HE1  H N N 256 
MET HE2  H N N 257 
MET HE3  H N N 258 
MET HXT  H N N 259 
PHE N    N N N 260 
PHE CA   C N S 261 
PHE C    C N N 262 
PHE O    O N N 263 
PHE CB   C N N 264 
PHE CG   C Y N 265 
PHE CD1  C Y N 266 
PHE CD2  C Y N 267 
PHE CE1  C Y N 268 
PHE CE2  C Y N 269 
PHE CZ   C Y N 270 
PHE OXT  O N N 271 
PHE H    H N N 272 
PHE H2   H N N 273 
PHE HA   H N N 274 
PHE HB2  H N N 275 
PHE HB3  H N N 276 
PHE HD1  H N N 277 
PHE HD2  H N N 278 
PHE HE1  H N N 279 
PHE HE2  H N N 280 
PHE HZ   H N N 281 
PHE HXT  H N N 282 
PRO N    N N N 283 
PRO CA   C N S 284 
PRO C    C N N 285 
PRO O    O N N 286 
PRO CB   C N N 287 
PRO CG   C N N 288 
PRO CD   C N N 289 
PRO OXT  O N N 290 
PRO H    H N N 291 
PRO HA   H N N 292 
PRO HB2  H N N 293 
PRO HB3  H N N 294 
PRO HG2  H N N 295 
PRO HG3  H N N 296 
PRO HD2  H N N 297 
PRO HD3  H N N 298 
PRO HXT  H N N 299 
SER N    N N N 300 
SER CA   C N S 301 
SER C    C N N 302 
SER O    O N N 303 
SER CB   C N N 304 
SER OG   O N N 305 
SER OXT  O N N 306 
SER H    H N N 307 
SER H2   H N N 308 
SER HA   H N N 309 
SER HB2  H N N 310 
SER HB3  H N N 311 
SER HG   H N N 312 
SER HXT  H N N 313 
SO4 S    S N N 314 
SO4 O1   O N N 315 
SO4 O2   O N N 316 
SO4 O3   O N N 317 
SO4 O4   O N N 318 
THR N    N N N 319 
THR CA   C N S 320 
THR C    C N N 321 
THR O    O N N 322 
THR CB   C N R 323 
THR OG1  O N N 324 
THR CG2  C N N 325 
THR OXT  O N N 326 
THR H    H N N 327 
THR H2   H N N 328 
THR HA   H N N 329 
THR HB   H N N 330 
THR HG1  H N N 331 
THR HG21 H N N 332 
THR HG22 H N N 333 
THR HG23 H N N 334 
THR HXT  H N N 335 
TRP N    N N N 336 
TRP CA   C N S 337 
TRP C    C N N 338 
TRP O    O N N 339 
TRP CB   C N N 340 
TRP CG   C Y N 341 
TRP CD1  C Y N 342 
TRP CD2  C Y N 343 
TRP NE1  N Y N 344 
TRP CE2  C Y N 345 
TRP CE3  C Y N 346 
TRP CZ2  C Y N 347 
TRP CZ3  C Y N 348 
TRP CH2  C Y N 349 
TRP OXT  O N N 350 
TRP H    H N N 351 
TRP H2   H N N 352 
TRP HA   H N N 353 
TRP HB2  H N N 354 
TRP HB3  H N N 355 
TRP HD1  H N N 356 
TRP HE1  H N N 357 
TRP HE3  H N N 358 
TRP HZ2  H N N 359 
TRP HZ3  H N N 360 
TRP HH2  H N N 361 
TRP HXT  H N N 362 
TYR N    N N N 363 
TYR CA   C N S 364 
TYR C    C N N 365 
TYR O    O N N 366 
TYR CB   C N N 367 
TYR CG   C Y N 368 
TYR CD1  C Y N 369 
TYR CD2  C Y N 370 
TYR CE1  C Y N 371 
TYR CE2  C Y N 372 
TYR CZ   C Y N 373 
TYR OH   O N N 374 
TYR OXT  O N N 375 
TYR H    H N N 376 
TYR H2   H N N 377 
TYR HA   H N N 378 
TYR HB2  H N N 379 
TYR HB3  H N N 380 
TYR HD1  H N N 381 
TYR HD2  H N N 382 
TYR HE1  H N N 383 
TYR HE2  H N N 384 
TYR HH   H N N 385 
TYR HXT  H N N 386 
U78 C1   C N N 387 
U78 C2   C N N 388 
U78 O1   O N N 389 
U78 N1   N N N 390 
U78 C3   C N N 391 
U78 C4   C N N 392 
U78 C5   C Y N 393 
U78 C6   C Y N 394 
U78 C7   C Y N 395 
U78 C8   C Y N 396 
U78 C9   C Y N 397 
U78 C10  C Y N 398 
U78 C11  C N N 399 
U78 H1   H N N 400 
U78 H2   H N N 401 
U78 H3   H N N 402 
U78 H4   H N N 403 
U78 H5   H N N 404 
U78 H6   H N N 405 
U78 H7   H N N 406 
U78 H8   H N N 407 
U78 H9   H N N 408 
U78 H10  H N N 409 
U78 H11  H N N 410 
U78 H12  H N N 411 
U78 H13  H N N 412 
U78 H14  H N N 413 
U78 H15  H N N 414 
VAL N    N N N 415 
VAL CA   C N S 416 
VAL C    C N N 417 
VAL O    O N N 418 
VAL CB   C N N 419 
VAL CG1  C N N 420 
VAL CG2  C N N 421 
VAL OXT  O N N 422 
VAL H    H N N 423 
VAL H2   H N N 424 
VAL HA   H N N 425 
VAL HB   H N N 426 
VAL HG11 H N N 427 
VAL HG12 H N N 428 
VAL HG13 H N N 429 
VAL HG21 H N N 430 
VAL HG22 H N N 431 
VAL HG23 H N N 432 
VAL HXT  H N N 433 
# 
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  
EDO C1  O1   sing N N 83  
EDO C1  C2   sing N N 84  
EDO C1  H11  sing N N 85  
EDO C1  H12  sing N N 86  
EDO O1  HO1  sing N N 87  
EDO C2  O2   sing N N 88  
EDO C2  H21  sing N N 89  
EDO C2  H22  sing N N 90  
EDO O2  HO2  sing N N 91  
GLN N   CA   sing N N 92  
GLN N   H    sing N N 93  
GLN N   H2   sing N N 94  
GLN CA  C    sing N N 95  
GLN CA  CB   sing N N 96  
GLN CA  HA   sing N N 97  
GLN C   O    doub N N 98  
GLN C   OXT  sing N N 99  
GLN CB  CG   sing N N 100 
GLN CB  HB2  sing N N 101 
GLN CB  HB3  sing N N 102 
GLN CG  CD   sing N N 103 
GLN CG  HG2  sing N N 104 
GLN CG  HG3  sing N N 105 
GLN CD  OE1  doub N N 106 
GLN CD  NE2  sing N N 107 
GLN NE2 HE21 sing N N 108 
GLN NE2 HE22 sing N N 109 
GLN OXT HXT  sing N N 110 
GLU N   CA   sing N N 111 
GLU N   H    sing N N 112 
GLU N   H2   sing N N 113 
GLU CA  C    sing N N 114 
GLU CA  CB   sing N N 115 
GLU CA  HA   sing N N 116 
GLU C   O    doub N N 117 
GLU C   OXT  sing N N 118 
GLU CB  CG   sing N N 119 
GLU CB  HB2  sing N N 120 
GLU CB  HB3  sing N N 121 
GLU CG  CD   sing N N 122 
GLU CG  HG2  sing N N 123 
GLU CG  HG3  sing N N 124 
GLU CD  OE1  doub N N 125 
GLU CD  OE2  sing N N 126 
GLU OE2 HE2  sing N N 127 
GLU OXT HXT  sing N N 128 
GLY N   CA   sing N N 129 
GLY N   H    sing N N 130 
GLY N   H2   sing N N 131 
GLY CA  C    sing N N 132 
GLY CA  HA2  sing N N 133 
GLY CA  HA3  sing N N 134 
GLY C   O    doub N N 135 
GLY C   OXT  sing N N 136 
GLY OXT HXT  sing N N 137 
HIS N   CA   sing N N 138 
HIS N   H    sing N N 139 
HIS N   H2   sing N N 140 
HIS CA  C    sing N N 141 
HIS CA  CB   sing N N 142 
HIS CA  HA   sing N N 143 
HIS C   O    doub N N 144 
HIS C   OXT  sing N N 145 
HIS CB  CG   sing N N 146 
HIS CB  HB2  sing N N 147 
HIS CB  HB3  sing N N 148 
HIS CG  ND1  sing Y N 149 
HIS CG  CD2  doub Y N 150 
HIS ND1 CE1  doub Y N 151 
HIS ND1 HD1  sing N N 152 
HIS CD2 NE2  sing Y N 153 
HIS CD2 HD2  sing N N 154 
HIS CE1 NE2  sing Y N 155 
HIS CE1 HE1  sing N N 156 
HIS NE2 HE2  sing N N 157 
HIS OXT HXT  sing N N 158 
HOH O   H1   sing N N 159 
HOH O   H2   sing N N 160 
ILE N   CA   sing N N 161 
ILE N   H    sing N N 162 
ILE N   H2   sing N N 163 
ILE CA  C    sing N N 164 
ILE CA  CB   sing N N 165 
ILE CA  HA   sing N N 166 
ILE C   O    doub N N 167 
ILE C   OXT  sing N N 168 
ILE CB  CG1  sing N N 169 
ILE CB  CG2  sing N N 170 
ILE CB  HB   sing N N 171 
ILE CG1 CD1  sing N N 172 
ILE CG1 HG12 sing N N 173 
ILE CG1 HG13 sing N N 174 
ILE CG2 HG21 sing N N 175 
ILE CG2 HG22 sing N N 176 
ILE CG2 HG23 sing N N 177 
ILE CD1 HD11 sing N N 178 
ILE CD1 HD12 sing N N 179 
ILE CD1 HD13 sing N N 180 
ILE OXT HXT  sing N N 181 
LEU N   CA   sing N N 182 
LEU N   H    sing N N 183 
LEU N   H2   sing N N 184 
LEU CA  C    sing N N 185 
LEU CA  CB   sing N N 186 
LEU CA  HA   sing N N 187 
LEU C   O    doub N N 188 
LEU C   OXT  sing N N 189 
LEU CB  CG   sing N N 190 
LEU CB  HB2  sing N N 191 
LEU CB  HB3  sing N N 192 
LEU CG  CD1  sing N N 193 
LEU CG  CD2  sing N N 194 
LEU CG  HG   sing N N 195 
LEU CD1 HD11 sing N N 196 
LEU CD1 HD12 sing N N 197 
LEU CD1 HD13 sing N N 198 
LEU CD2 HD21 sing N N 199 
LEU CD2 HD22 sing N N 200 
LEU CD2 HD23 sing N N 201 
LEU OXT HXT  sing N N 202 
LYS N   CA   sing N N 203 
LYS N   H    sing N N 204 
LYS N   H2   sing N N 205 
LYS CA  C    sing N N 206 
LYS CA  CB   sing N N 207 
LYS CA  HA   sing N N 208 
LYS C   O    doub N N 209 
LYS C   OXT  sing N N 210 
LYS CB  CG   sing N N 211 
LYS CB  HB2  sing N N 212 
LYS CB  HB3  sing N N 213 
LYS CG  CD   sing N N 214 
LYS CG  HG2  sing N N 215 
LYS CG  HG3  sing N N 216 
LYS CD  CE   sing N N 217 
LYS CD  HD2  sing N N 218 
LYS CD  HD3  sing N N 219 
LYS CE  NZ   sing N N 220 
LYS CE  HE2  sing N N 221 
LYS CE  HE3  sing N N 222 
LYS NZ  HZ1  sing N N 223 
LYS NZ  HZ2  sing N N 224 
LYS NZ  HZ3  sing N N 225 
LYS OXT HXT  sing N N 226 
MET N   CA   sing N N 227 
MET N   H    sing N N 228 
MET N   H2   sing N N 229 
MET CA  C    sing N N 230 
MET CA  CB   sing N N 231 
MET CA  HA   sing N N 232 
MET C   O    doub N N 233 
MET C   OXT  sing N N 234 
MET CB  CG   sing N N 235 
MET CB  HB2  sing N N 236 
MET CB  HB3  sing N N 237 
MET CG  SD   sing N N 238 
MET CG  HG2  sing N N 239 
MET CG  HG3  sing N N 240 
MET SD  CE   sing N N 241 
MET CE  HE1  sing N N 242 
MET CE  HE2  sing N N 243 
MET CE  HE3  sing N N 244 
MET OXT HXT  sing N N 245 
PHE N   CA   sing N N 246 
PHE N   H    sing N N 247 
PHE N   H2   sing N N 248 
PHE CA  C    sing N N 249 
PHE CA  CB   sing N N 250 
PHE CA  HA   sing N N 251 
PHE C   O    doub N N 252 
PHE C   OXT  sing N N 253 
PHE CB  CG   sing N N 254 
PHE CB  HB2  sing N N 255 
PHE CB  HB3  sing N N 256 
PHE CG  CD1  doub Y N 257 
PHE CG  CD2  sing Y N 258 
PHE CD1 CE1  sing Y N 259 
PHE CD1 HD1  sing N N 260 
PHE CD2 CE2  doub Y N 261 
PHE CD2 HD2  sing N N 262 
PHE CE1 CZ   doub Y N 263 
PHE CE1 HE1  sing N N 264 
PHE CE2 CZ   sing Y N 265 
PHE CE2 HE2  sing N N 266 
PHE CZ  HZ   sing N N 267 
PHE OXT HXT  sing N N 268 
PRO N   CA   sing N N 269 
PRO N   CD   sing N N 270 
PRO N   H    sing N N 271 
PRO CA  C    sing N N 272 
PRO CA  CB   sing N N 273 
PRO CA  HA   sing N N 274 
PRO C   O    doub N N 275 
PRO C   OXT  sing N N 276 
PRO CB  CG   sing N N 277 
PRO CB  HB2  sing N N 278 
PRO CB  HB3  sing N N 279 
PRO CG  CD   sing N N 280 
PRO CG  HG2  sing N N 281 
PRO CG  HG3  sing N N 282 
PRO CD  HD2  sing N N 283 
PRO CD  HD3  sing N N 284 
PRO OXT HXT  sing N N 285 
SER N   CA   sing N N 286 
SER N   H    sing N N 287 
SER N   H2   sing N N 288 
SER CA  C    sing N N 289 
SER CA  CB   sing N N 290 
SER CA  HA   sing N N 291 
SER C   O    doub N N 292 
SER C   OXT  sing N N 293 
SER CB  OG   sing N N 294 
SER CB  HB2  sing N N 295 
SER CB  HB3  sing N N 296 
SER OG  HG   sing N N 297 
SER OXT HXT  sing N N 298 
SO4 S   O1   doub N N 299 
SO4 S   O2   doub N N 300 
SO4 S   O3   sing N N 301 
SO4 S   O4   sing N N 302 
THR N   CA   sing N N 303 
THR N   H    sing N N 304 
THR N   H2   sing N N 305 
THR CA  C    sing N N 306 
THR CA  CB   sing N N 307 
THR CA  HA   sing N N 308 
THR C   O    doub N N 309 
THR C   OXT  sing N N 310 
THR CB  OG1  sing N N 311 
THR CB  CG2  sing N N 312 
THR CB  HB   sing N N 313 
THR OG1 HG1  sing N N 314 
THR CG2 HG21 sing N N 315 
THR CG2 HG22 sing N N 316 
THR CG2 HG23 sing N N 317 
THR OXT HXT  sing N N 318 
TRP N   CA   sing N N 319 
TRP N   H    sing N N 320 
TRP N   H2   sing N N 321 
TRP CA  C    sing N N 322 
TRP CA  CB   sing N N 323 
TRP CA  HA   sing N N 324 
TRP C   O    doub N N 325 
TRP C   OXT  sing N N 326 
TRP CB  CG   sing N N 327 
TRP CB  HB2  sing N N 328 
TRP CB  HB3  sing N N 329 
TRP CG  CD1  doub Y N 330 
TRP CG  CD2  sing Y N 331 
TRP CD1 NE1  sing Y N 332 
TRP CD1 HD1  sing N N 333 
TRP CD2 CE2  doub Y N 334 
TRP CD2 CE3  sing Y N 335 
TRP NE1 CE2  sing Y N 336 
TRP NE1 HE1  sing N N 337 
TRP CE2 CZ2  sing Y N 338 
TRP CE3 CZ3  doub Y N 339 
TRP CE3 HE3  sing N N 340 
TRP CZ2 CH2  doub Y N 341 
TRP CZ2 HZ2  sing N N 342 
TRP CZ3 CH2  sing Y N 343 
TRP CZ3 HZ3  sing N N 344 
TRP CH2 HH2  sing N N 345 
TRP OXT HXT  sing N N 346 
TYR N   CA   sing N N 347 
TYR N   H    sing N N 348 
TYR N   H2   sing N N 349 
TYR CA  C    sing N N 350 
TYR CA  CB   sing N N 351 
TYR CA  HA   sing N N 352 
TYR C   O    doub N N 353 
TYR C   OXT  sing N N 354 
TYR CB  CG   sing N N 355 
TYR CB  HB2  sing N N 356 
TYR CB  HB3  sing N N 357 
TYR CG  CD1  doub Y N 358 
TYR CG  CD2  sing Y N 359 
TYR CD1 CE1  sing Y N 360 
TYR CD1 HD1  sing N N 361 
TYR CD2 CE2  doub Y N 362 
TYR CD2 HD2  sing N N 363 
TYR CE1 CZ   doub Y N 364 
TYR CE1 HE1  sing N N 365 
TYR CE2 CZ   sing Y N 366 
TYR CE2 HE2  sing N N 367 
TYR CZ  OH   sing N N 368 
TYR OH  HH   sing N N 369 
TYR OXT HXT  sing N N 370 
U78 O1  C2   doub N N 371 
U78 C1  C2   sing N N 372 
U78 C2  N1   sing N N 373 
U78 N1  C3   sing N N 374 
U78 C3  C4   sing N N 375 
U78 C4  C5   sing N N 376 
U78 C5  C6   doub Y N 377 
U78 C5  C10  sing Y N 378 
U78 C11 C10  sing N N 379 
U78 C6  C7   sing Y N 380 
U78 C10 C9   doub Y N 381 
U78 C7  C8   doub Y N 382 
U78 C9  C8   sing Y N 383 
U78 C1  H1   sing N N 384 
U78 C1  H2   sing N N 385 
U78 C1  H3   sing N N 386 
U78 N1  H4   sing N N 387 
U78 C3  H5   sing N N 388 
U78 C3  H6   sing N N 389 
U78 C4  H7   sing N N 390 
U78 C4  H8   sing N N 391 
U78 C6  H9   sing N N 392 
U78 C7  H10  sing N N 393 
U78 C8  H11  sing N N 394 
U78 C9  H12  sing N N 395 
U78 C11 H13  sing N N 396 
U78 C11 H14  sing N N 397 
U78 C11 H15  sing N N 398 
VAL N   CA   sing N N 399 
VAL N   H    sing N N 400 
VAL N   H2   sing N N 401 
VAL CA  C    sing N N 402 
VAL CA  CB   sing N N 403 
VAL CA  HA   sing N N 404 
VAL C   O    doub N N 405 
VAL C   OXT  sing N N 406 
VAL CB  CG1  sing N N 407 
VAL CB  CG2  sing N N 408 
VAL CB  HB   sing N N 409 
VAL CG1 HG11 sing N N 410 
VAL CG1 HG12 sing N N 411 
VAL CG1 HG13 sing N N 412 
VAL CG2 HG21 sing N N 413 
VAL CG2 HG22 sing N N 414 
VAL CG2 HG23 sing N N 415 
VAL OXT HXT  sing N N 416 
# 
_pdbx_audit_support.ordinal                1 
_pdbx_audit_support.funding_organization   'European Union (EU)' 
_pdbx_audit_support.grant_number           875510 
_pdbx_audit_support.country                'European Union' 
# 
_pdbx_deposit_group.group_id            G_1002320 
_pdbx_deposit_group.group_description   
;PRYSPRY domain of murine TRIM21 screened against the DSI-poised Fragment Library by X-ray Crystallography at the XChem facility of Diamon Light Source
;
_pdbx_deposit_group.group_title         'PanDDA analysis group deposition' 
_pdbx_deposit_group.group_type          'changed state' 
# 
_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   2VOK 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    7HND 
_atom_sites.fract_transf_matrix[1][1]   0.010484 
_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]   0.010484 
_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]   0.021796 
_atom_sites.fract_transf_vector[1]      0.000000 
_atom_sites.fract_transf_vector[2]      0.000000 
_atom_sites.fract_transf_vector[3]      0.000000 
# 
loop_
_atom_type.symbol 
C 
N 
O 
S 
# 
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   1    N N   . HIS A 1 2   ? -13.298 -12.645 -9.953  1.00 58.86 ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.769 -13.342 -11.189 1.00 53.73 ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.674 -12.494 -11.854 1.00 52.35 ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.587 -11.271 -11.561 1.00 53.65 ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -13.909 -13.654 -12.180 1.00 44.60 ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.511 -12.445 -12.814 1.00 40.21 ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -13.916 -11.807 -13.887 1.00 40.88 ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.635 -11.746 -12.541 1.00 38.40 ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.644 -10.759 -14.237 1.00 41.07 ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.702 -10.691 -13.427 1.00 36.22 ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -10.912 -13.115 -12.756 1.00 46.04 ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.783  -12.501 -13.500 1.00 46.32 ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -10.007 -12.640 -15.014 1.00 41.27 ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -9.006  -12.862 -15.734 1.00 40.34 ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.469  -13.121 -12.989 1.00 56.80 ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -8.288  -12.954 -11.511 1.00 65.65 ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -7.890  -11.750 -10.938 1.00 65.22 ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -8.479  -13.813 -10.485 1.00 69.64 ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -7.835  -11.882 -9.629  1.00 68.28 ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -8.185  -13.140 -9.326  1.00 72.42 ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.262 -12.477 -15.489 1.00 33.31 ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.664 -12.647 -16.918 1.00 28.67 ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.642 -11.307 -17.664 1.00 27.82 ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.789 -11.321 -18.889 1.00 26.08 ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.065 -13.282 -17.069 1.00 27.73 ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.200 -14.644 -16.465 1.00 29.13 ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.303 -15.685 -16.738 1.00 27.86 ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.137 -15.158 -15.628 1.00 27.45 ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.689 -16.768 -16.074 1.00 32.93 ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.823 -16.470 -15.404 1.00 30.64 ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.448 -10.183 -16.962 1.00 28.68 ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.556 -8.805  -17.522 1.00 31.57 ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.693 -8.625  -18.778 1.00 29.30 ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.144 -7.911  -19.700 1.00 33.41 ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.210 -7.744  -16.457 1.00 36.06 ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -12.058 -7.851  -15.239 1.00 42.36 ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.692 -8.645  -14.150 1.00 50.58 ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.257 -7.303  -14.935 1.00 46.15 ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.630 -8.567  -13.219 1.00 53.50 ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.607 -7.752  -13.678 1.00 49.76 ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.517  -9.268  -18.842 1.00 28.59 ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.542  -9.131  -19.951 1.00 28.24 ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -9.059  -9.757  -21.248 1.00 26.49 ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.436  -9.524  -22.289 1.00 27.53 ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.166  -9.702  -19.559 1.00 32.20 ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.163  -11.133 -19.151 1.00 31.52 ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.566  -12.124 -19.926 1.00 38.74 ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.624  -11.751 -18.041 1.00 36.14 ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.692  -13.290 -19.329 1.00 31.84 ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.333  -13.092 -18.159 1.00 39.45 ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.131 -10.566 -21.216 1.00 23.05 ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.772 -11.114 -22.447 1.00 20.76 ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.877 -10.179 -22.928 1.00 18.56 ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.693 -10.639 -23.733 1.00 16.38 ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.332 -12.512 -22.197 1.00 19.43 ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.281 -13.486 -21.752 1.00 19.82 ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.214  -13.807 -22.577 1.00 20.51 ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -10.159 -14.211 -20.619 1.00 20.64 ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.454  -14.686 -21.957 1.00 19.81 ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -8.998  -14.959 -20.751 1.00 22.70 ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -11.930 -8.954  -22.417 1.00 18.92 ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -12.972 -7.952  -22.781 1.00 21.44 ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -13.066 -7.836  -24.307 1.00 20.40 ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -12.017 -7.694  -25.012 1.00 22.18 ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.638 -6.571  -22.206 1.00 26.20 ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.682 -5.484  -22.466 1.00 30.71 ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.290 -5.706  -21.615 1.00 42.44 ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -14.878 -5.143  -19.969 1.00 34.53 ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.284 -7.834  -24.837 1.00 17.55 ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.579 -7.620  -26.279 1.00 17.71 ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.573 -6.448  -26.361 1.00 19.24 ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.424 -6.278  -25.453 1.00 17.95 ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.133 -8.871  -26.990 1.00 19.06 ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -14.055 -9.927  -27.139 1.00 21.80 ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.349 -9.456  -26.318 1.00 19.54 ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.496 -5.689  -27.440 1.00 18.82 ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.364 -4.512  -27.662 1.00 18.84 ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.590 -4.999  -28.432 1.00 18.39 ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.468 -5.393  -29.590 1.00 20.99 ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.615 -3.431  -28.438 1.00 20.18 ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.402 -2.183  -28.678 1.00 24.00 ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.538 -1.200  -27.706 1.00 27.16 ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.090 -1.760  -29.767 1.00 27.48 ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.286 -0.211  -28.184 1.00 24.84 ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.644 -0.543  -29.457 1.00 29.07 ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.722 -5.098  -27.745 1.00 15.44 ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -19.961 -5.621  -28.354 1.00 16.50 ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.779 -4.425  -28.877 1.00 15.88 ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.810 -3.405  -28.231 1.00 15.31 ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.783 -6.441  -27.343 1.00 15.78 ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -19.991 -7.643  -26.807 1.00 17.57 ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.101 -6.851  -27.984 1.00 14.95 ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.399 -8.544  -27.893 1.00 17.72 ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.353 -4.599  -30.048 1.00 14.58 ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.357 -3.648  -30.611 1.00 15.17 ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.613 -4.407  -31.009 1.00 15.59 ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.559 -5.611  -31.262 1.00 17.03 ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.780 -2.882  -31.804 1.00 17.47 ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.451 -3.783  -32.844 1.00 18.70 ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.587 -2.023  -31.458 1.00 19.55 ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.762 -3.718  -30.995 1.00 13.97 ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -26.049 -4.364  -31.274 1.00 13.78 ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.339 -4.354  -32.770 1.00 14.04 ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -26.046 -3.324  -33.426 1.00 16.09 ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.135 -3.633  -30.494 1.00 14.77 ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -26.940 -3.675  -28.985 1.00 14.65 ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -27.938 -2.782  -28.251 1.00 16.51 ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -27.029 -5.109  -28.461 1.00 16.32 ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -26.974 -5.394  -33.248 1.00 13.28 ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.331 -5.583  -34.670 1.00 14.03 ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -28.813 -5.172  -34.835 1.00 15.04 ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.706 -5.970  -34.547 1.00 13.77 ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -27.033 -7.005  -35.145 1.00 14.16 ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.367 -7.281  -36.606 1.00 18.69 ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -28.008 -6.387  -37.208 1.00 17.43 ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -27.095 -8.401  -37.127 1.00 18.17 ? 20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -29.026 -3.936  -35.309 0.25 15.73 ? 21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -29.053 -3.951  -35.320 0.25 16.76 ? 21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.356 -3.334  -35.616 0.25 17.41 ? 21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.421 -3.389  -35.501 0.25 19.09 ? 21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.261 -4.372  -36.295 0.25 17.01 ? 21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.294 -4.360  -36.317 0.25 18.28 ? 21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.474 -4.545  -35.848 0.25 16.99 ? 21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.537 -4.484  -35.981 0.25 19.33 ? 21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.178 -2.111  -36.530 0.25 18.47 ? 21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.345 -2.003  -36.158 0.25 22.17 ? 21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.415 -0.970  -35.876 0.25 20.88 ? 21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.797 -0.916  -35.243 0.25 25.71 ? 21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.349 0.302   -36.706 0.25 21.00 ? 21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.306 -0.694  -35.446 0.25 30.09 ? 21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -28.759 1.358   -35.902 0.25 21.48 ? 21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -27.967 0.383   -36.376 0.25 33.14 ? 21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.408 1.952   -34.917 0.25 20.00 ? 21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -27.483 0.217   -37.607 0.25 36.26 ? 21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.647 1.590   -34.667 0.25 21.41 ? 21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -27.282 -0.990  -38.106 0.25 37.96 ? 21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -28.834 2.888   -34.191 0.25 21.36 ? 21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -27.194 1.275   -38.339 0.25 38.64 ? 21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.713 -5.038  -37.328 1.00 16.67 ? 22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.502 -5.887  -38.239 1.00 17.60 ? 22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.152 -7.055  -37.513 1.00 14.93 ? 22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.163 -7.545  -38.006 1.00 15.26 ? 22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.611 -6.327  -39.412 1.00 20.80 ? 22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.401 -5.208  -40.419 1.00 29.19 ? 22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -31.176 -4.249  -40.492 1.00 36.84 ? 22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.335 -5.307  -41.193 1.00 42.57 ? 22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.626 -7.462  -36.335 1.00 12.94 ? 23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.182 -8.571  -35.554 1.00 13.39 ? 23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.233 -8.069  -34.565 1.00 11.92 ? 23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -33.908 -8.898  -33.956 1.00 12.16 ? 23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -31.101 -9.360  -34.802 1.00 13.08 ? 23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.522 -8.532  -33.782 1.00 13.24 ? 23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -30.080 -9.905  -35.778 1.00 13.70 ? 23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.303 -6.767  -34.346 1.00 12.72 ? 24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -34.097 -6.210  -33.222 1.00 12.35 ? 24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.593 -6.382  -33.464 1.00 13.42 ? 24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -36.085 -6.098  -34.578 1.00 13.49 ? 24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -33.746 -4.762  -33.079 1.00 12.74 ? 24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.345 -6.718  -32.424 1.00 12.52 ? 25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -37.797 -6.504  -32.430 1.00 12.09 ? 25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -38.088 -5.063  -32.880 1.00 12.42 ? 25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.380 -4.119  -32.529 1.00 11.91 ? 25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.319 -6.830  -31.033 1.00 12.78 ? 25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -39.785 -6.543  -30.949 1.00 14.35 ? 25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.199 -5.424  -30.688 1.00 14.94 ? 25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.562 -7.554  -31.229 1.00 16.64 ? 25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.175 -4.909  -33.607 1.00 13.42 ? 26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.532 -3.651  -34.295 1.00 13.65 ? 26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -39.896 -2.548  -33.317 1.00 13.91 ? 26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -39.982 -1.394  -33.788 1.00 15.50 ? 26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.661 -3.845  -35.276 1.00 14.60 ? 26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.784 -4.334  -34.560 1.00 19.41 ? 26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -40.085 -2.812  -32.032 1.00 11.90 ? 27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.390 -1.777  -31.008 1.00 12.87 ? 27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.136 -1.289  -30.308 1.00 13.19 ? 27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.233 -0.348  -29.513 1.00 13.42 ? 27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.373 -2.301  -29.990 1.00 13.28 ? 27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.772 -2.405  -30.515 1.00 13.81 ? 27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.181 -2.926  -31.712 1.00 15.61 ? 27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -43.950 -1.940  -29.852 1.00 15.73 ? 27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.555 -2.844  -31.817 1.00 18.80 ? 27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -45.042 -2.281  -30.679 1.00 16.52 ? 27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -44.179 -1.338  -28.619 1.00 17.02 ? 27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.357 -1.952  -30.310 1.00 19.70 ? 27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.485 -1.040  -28.244 1.00 18.34 ? 27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.543 -1.389  -29.069 1.00 19.23 ? 27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -37.963 -1.879  -30.626 1.00 13.19 ? 28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.742 -1.469  -29.891 1.00 12.52 ? 28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.138 -0.210  -30.524 1.00 12.73 ? 28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.114 -0.060  -31.758 1.00 12.87 ? 28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.703 -2.595  -29.893 1.00 10.91 ? 28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.136 -3.858  -29.158 1.00 12.21 ? 28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -35.048 -4.929  -29.185 1.00 12.31 ? 28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.518 -3.592  -27.722 1.00 12.71 ? 28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.502 0.564   -29.676 1.00 12.66 ? 29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.719 1.765   -30.040 1.00 13.55 ? 29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.279 1.513   -29.591 1.00 13.35 ? 29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -33.012 1.437   -28.383 1.00 14.24 ? 29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.283 3.023   -29.402 1.00 14.72 ? 29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.770 3.254   -29.758 1.00 15.06 ? 29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.401 4.231   -29.782 1.00 15.54 ? 29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.449 4.323   -28.985 1.00 15.96 ? 29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.410 1.450   -30.580 1.00 16.14 ? 30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -30.947 1.241   -30.403 1.00 16.43 ? 30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.257 2.578   -30.592 1.00 18.18 ? 30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.539 3.314   -31.592 1.00 18.56 ? 30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.432 0.171   -31.342 1.00 17.33 ? 30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -31.028 -1.169  -30.935 1.00 19.89 ? 30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -28.898 0.113   -31.354 1.00 17.47 ? 30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -30.750 -2.232  -31.835 1.00 20.54 ? 30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.362 2.914   -29.682 1.00 16.84 ? 31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.661 4.209   -29.719 1.00 16.26 ? 31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -27.748 4.278   -30.955 1.00 15.89 ? 31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.391 3.257   -31.542 1.00 16.79 ? 31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -27.925 4.409   -28.440 1.00 17.22 ? 31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -26.947 3.380   -28.300 1.00 17.68 ? 31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.380 5.504   -31.346 1.00 19.77 ? 32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.496 5.742   -32.518 1.00 19.64 ? 32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.194 4.936   -32.401 1.00 17.74 ? 32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -24.758 4.407   -33.429 1.00 20.59 ? 32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -26.174 7.235   -32.582 1.00 23.25 ? 32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -25.244 7.609   -33.718 1.00 26.65 ? 32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.332 9.090   -33.988 1.00 27.67 ? 32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -25.085 9.907   -32.744 1.00 32.63 ? 32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.312 11.336  -33.011 1.00 36.07 ? 32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.624 4.849   -31.198 1.00 18.94 ? 33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.337 4.119   -30.993 1.00 18.47 ? 33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.567 2.601   -30.958 1.00 17.22 ? 33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.564 1.863   -30.820 1.00 16.76 ? 33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.610 4.634   -29.751 1.00 18.52 ? 33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.277 4.378   -28.409 1.00 19.21 ? 33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.361 3.705   -28.391 1.00 19.84 ? 33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.682 4.816   -27.407 1.00 22.53 ? 33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -24.808 2.136   -31.039 1.00 16.25 ? 34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.185 0.696   -31.033 1.00 16.36 ? 34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.747 0.038   -29.705 1.00 14.22 ? 34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.560 -1.201  -29.670 1.00 14.22 ? 34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.661 0.004   -32.291 1.00 20.12 ? 34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.278 0.586   -33.562 1.00 24.31 ? 34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -24.879 -0.068  -34.853 1.00 33.46 ? 34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.438 -0.170  -34.989 1.00 44.07 ? 34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.719 -1.305  -34.903 1.00 60.29 ? 34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.297 -2.492  -34.700 1.00 57.93 ? 34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.399 -1.237  -35.038 1.00 61.78 ? 34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.683 0.789   -28.626 1.00 13.30 ? 35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.279 0.248   -27.312 1.00 14.25 ? 35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.435 0.226   -26.323 1.00 14.23 ? 35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.260 -0.342  -25.230 1.00 15.28 ? 35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.109 1.034   -26.726 1.00 15.47 ? 35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -21.882 0.904   -27.609 1.00 17.44 ? 35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -20.992 -0.272  -27.347 1.00 19.04 ? 35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.248 -0.066  -26.110 1.00 20.45 ? 35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.516 -1.013  -25.507 1.00 20.00 ? 35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.451 -2.208  -26.046 1.00 19.60 ? 35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -18.868 -0.746  -24.386 1.00 20.52 ? 35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.579 0.832   -26.616 1.00 13.35 ? 36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -27.731 0.874   -25.681 1.00 14.06 ? 36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -29.003 0.512   -26.436 1.00 12.92 ? 36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.122 0.762   -27.663 1.00 13.65 ? 36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -27.956 2.257   -25.050 1.00 16.17 ? 36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -26.705 2.844   -24.454 1.00 19.63 ? 36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -27.028 4.075   -23.647 1.00 23.21 ? 36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.173 4.328   -23.280 1.00 25.75 ? 36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -26.012 4.872   -23.428 1.00 26.11 ? 36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -29.935 -0.115  -25.732 1.00 11.74 ? 37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.249 -0.496  -26.331 1.00 12.63 ? 37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.335 -0.323  -25.279 1.00 12.44 ? 37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.131 -0.679  -24.119 1.00 12.48 ? 37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.215 -1.910  -26.931 1.00 11.90 ? 37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -30.774 -3.003  -25.928 1.00 12.06 ? 37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.547 -2.283  -27.561 1.00 13.18 ? 37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.482 0.179   -25.688 1.00 12.40 ? 38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.666 0.254   -24.812 1.00 13.15 ? 38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -35.926 -0.045  -25.636 1.00 13.44 ? 38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -35.924 0.032   -26.862 1.00 11.97 ? 38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.803 1.615   -24.121 1.00 14.83 ? 38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -35.074 2.769   -25.073 1.00 17.04 ? 38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -34.972 4.099   -24.324 1.00 19.34 ? 38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -35.309 5.204   -25.206 1.00 24.65 ? 38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -36.520 5.668   -25.465 1.00 22.60 ? 38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -37.603 5.100   -24.977 1.00 23.79 ? 38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -36.642 6.695   -26.304 1.00 27.00 ? 38  ARG B NH2 1 
ATOM   283  N N   A MET A 1 33  ? -36.985 -0.365  -24.899 0.33 13.34 ? 39  MET B N   1 
ATOM   284  N N   B MET A 1 33  ? -37.008 -0.428  -24.962 0.29 13.68 ? 39  MET B N   1 
ATOM   285  C CA  A MET A 1 33  ? -38.352 -0.568  -25.429 0.33 15.19 ? 39  MET B CA  1 
ATOM   286  C CA  B MET A 1 33  ? -38.290 -0.705  -25.661 0.29 15.32 ? 39  MET B CA  1 
ATOM   287  C C   A MET A 1 33  ? -38.938 0.797   -25.798 0.33 14.54 ? 39  MET B C   1 
ATOM   288  C C   B MET A 1 33  ? -39.074 0.603   -25.783 0.29 14.77 ? 39  MET B C   1 
ATOM   289  O O   A MET A 1 33  ? -38.903 1.719   -24.965 0.33 15.10 ? 39  MET B O   1 
ATOM   290  O O   B MET A 1 33  ? -39.384 1.217   -24.723 0.29 14.75 ? 39  MET B O   1 
ATOM   291  C CB  A MET A 1 33  ? -39.204 -1.257  -24.358 0.33 15.91 ? 39  MET B CB  1 
ATOM   292  C CB  B MET A 1 33  ? -39.141 -1.749  -24.935 0.29 16.61 ? 39  MET B CB  1 
ATOM   293  C CG  A MET A 1 33  ? -40.593 -1.660  -24.841 0.33 17.75 ? 39  MET B CG  1 
ATOM   294  C CG  B MET A 1 33  ? -40.497 -1.962  -25.622 0.29 18.74 ? 39  MET B CG  1 
ATOM   295  S SD  A MET A 1 33  ? -40.482 -2.831  -26.244 0.33 19.46 ? 39  MET B SD  1 
ATOM   296  S SD  B MET A 1 33  ? -41.261 -3.527  -25.169 0.29 20.74 ? 39  MET B SD  1 
ATOM   297  C CE  A MET A 1 33  ? -42.143 -3.496  -26.263 0.33 20.44 ? 39  MET B CE  1 
ATOM   298  C CE  B MET A 1 33  ? -42.155 -3.882  -26.678 0.29 21.08 ? 39  MET B CE  1 
ATOM   299  N N   . GLY A 1 34  ? -39.397 0.955   -27.034 1.00 14.72 ? 40  GLY B N   1 
ATOM   300  C CA  . GLY A 1 34  ? -40.195 2.146   -27.396 1.00 16.49 ? 40  GLY B CA  1 
ATOM   301  C C   . GLY A 1 34  ? -41.639 1.958   -26.991 1.00 17.07 ? 40  GLY B C   1 
ATOM   302  O O   . GLY A 1 34  ? -42.035 0.836   -26.573 1.00 16.40 ? 40  GLY B O   1 
ATOM   303  N N   . ASP A 1 35  ? -42.424 3.031   -27.156 0.62 19.01 ? 41  ASP B N   1 
ATOM   304  C CA  . ASP A 1 35  ? -43.871 3.061   -26.799 0.62 19.65 ? 41  ASP B CA  1 
ATOM   305  C C   . ASP A 1 35  ? -44.712 2.521   -27.965 0.62 18.85 ? 41  ASP B C   1 
ATOM   306  O O   . ASP A 1 35  ? -45.931 2.266   -27.765 0.62 17.58 ? 41  ASP B O   1 
ATOM   307  C CB  . ASP A 1 35  ? -44.302 4.470   -26.371 0.62 22.72 ? 41  ASP B CB  1 
ATOM   308  C CG  . ASP A 1 35  ? -44.365 5.517   -27.467 0.62 23.43 ? 41  ASP B CG  1 
ATOM   309  O OD1 . ASP A 1 35  ? -43.673 5.370   -28.488 0.62 27.92 ? 41  ASP B OD1 1 
ATOM   310  O OD2 . ASP A 1 35  ? -45.113 6.508   -27.275 0.62 31.65 ? 41  ASP B OD2 1 
ATOM   311  N N   . THR A 1 36  ? -44.079 2.305   -29.119 1.00 16.48 ? 42  THR B N   1 
ATOM   312  C CA  . THR A 1 36  ? -44.777 1.928   -30.389 1.00 16.51 ? 42  THR B CA  1 
ATOM   313  C C   . THR A 1 36  ? -43.790 1.236   -31.333 1.00 14.81 ? 42  THR B C   1 
ATOM   314  O O   . THR A 1 36  ? -42.530 1.241   -31.100 1.00 13.36 ? 42  THR B O   1 
ATOM   315  C CB  . THR A 1 36  ? -45.396 3.167   -31.075 1.00 17.20 ? 42  THR B CB  1 
ATOM   316  O OG1 . THR A 1 36  ? -46.274 2.738   -32.110 1.00 23.19 ? 42  THR B OG1 1 
ATOM   317  C CG2 . THR A 1 36  ? -44.345 4.029   -31.737 1.00 18.92 ? 42  THR B CG2 1 
ATOM   318  N N   . HIS A 1 37  ? -44.287 0.723   -32.448 1.00 15.40 ? 43  HIS B N   1 
ATOM   319  C CA  . HIS A 1 37  ? -43.454 0.250   -33.591 1.00 15.37 ? 43  HIS B CA  1 
ATOM   320  C C   . HIS A 1 37  ? -42.513 1.370   -34.030 1.00 16.73 ? 43  HIS B C   1 
ATOM   321  O O   . HIS A 1 37  ? -42.986 2.514   -34.222 1.00 17.31 ? 43  HIS B O   1 
ATOM   322  C CB  . HIS A 1 37  ? -44.398 -0.272  -34.680 1.00 14.75 ? 43  HIS B CB  1 
ATOM   323  C CG  . HIS A 1 37  ? -43.777 -0.889  -35.886 1.00 13.98 ? 43  HIS B CG  1 
ATOM   324  N ND1 . HIS A 1 37  ? -43.045 -0.189  -36.815 1.00 13.94 ? 43  HIS B ND1 1 
ATOM   325  C CD2 . HIS A 1 37  ? -43.883 -2.148  -36.365 1.00 13.84 ? 43  HIS B CD2 1 
ATOM   326  C CE1 . HIS A 1 37  ? -42.693 -1.014  -37.776 1.00 14.47 ? 43  HIS B CE1 1 
ATOM   327  N NE2 . HIS A 1 37  ? -43.200 -2.245  -37.528 1.00 14.20 ? 43  HIS B NE2 1 
ATOM   328  N N   . GLN A 1 38  ? -41.228 1.059   -34.290 1.00 14.85 ? 44  GLN B N   1 
ATOM   329  C CA  . GLN A 1 38  ? -40.219 2.096   -34.570 1.00 15.34 ? 44  GLN B CA  1 
ATOM   330  C C   . GLN A 1 38  ? -40.056 2.341   -36.084 1.00 15.36 ? 44  GLN B C   1 
ATOM   331  O O   . GLN A 1 38  ? -39.047 2.958   -36.502 1.00 16.73 ? 44  GLN B O   1 
ATOM   332  C CB  . GLN A 1 38  ? -38.914 1.733   -33.845 1.00 14.60 ? 44  GLN B CB  1 
ATOM   333  C CG  . GLN A 1 38  ? -39.082 1.801   -32.355 1.00 14.91 ? 44  GLN B CG  1 
ATOM   334  C CD  . GLN A 1 38  ? -39.583 3.124   -31.856 1.00 15.63 ? 44  GLN B CD  1 
ATOM   335  O OE1 . GLN A 1 38  ? -40.528 3.228   -31.059 1.00 19.13 ? 44  GLN B OE1 1 
ATOM   336  N NE2 . GLN A 1 38  ? -38.955 4.186   -32.335 1.00 13.65 ? 44  GLN B NE2 1 
ATOM   337  N N   . ASN A 1 39  ? -41.024 1.949   -36.908 1.00 14.84 ? 45  ASN B N   1 
ATOM   338  C CA  . ASN A 1 39  ? -41.113 2.436   -38.323 1.00 14.44 ? 45  ASN B CA  1 
ATOM   339  C C   . ASN A 1 39  ? -40.029 1.808   -39.197 1.00 16.53 ? 45  ASN B C   1 
ATOM   340  O O   . ASN A 1 39  ? -39.637 2.394   -40.193 1.00 17.02 ? 45  ASN B O   1 
ATOM   341  C CB  . ASN A 1 39  ? -41.164 3.981   -38.421 1.00 14.21 ? 45  ASN B CB  1 
ATOM   342  C CG  . ASN A 1 39  ? -41.810 4.437   -39.721 1.00 14.67 ? 45  ASN B CG  1 
ATOM   343  O OD1 . ASN A 1 39  ? -42.702 3.780   -40.234 1.00 13.87 ? 45  ASN B OD1 1 
ATOM   344  N ND2 . ASN A 1 39  ? -41.375 5.565   -40.274 1.00 13.36 ? 45  ASN B ND2 1 
ATOM   345  N N   . VAL A 1 40  ? -39.640 0.566   -38.885 1.00 18.35 ? 46  VAL B N   1 
ATOM   346  C CA  . VAL A 1 40  ? -38.689 -0.237  -39.708 1.00 19.30 ? 46  VAL B CA  1 
ATOM   347  C C   . VAL A 1 40  ? -39.472 -1.286  -40.514 1.00 17.63 ? 46  VAL B C   1 
ATOM   348  O O   . VAL A 1 40  ? -40.488 -1.725  -40.029 1.00 16.77 ? 46  VAL B O   1 
ATOM   349  C CB  . VAL A 1 40  ? -37.654 -0.902  -38.781 1.00 20.20 ? 46  VAL B CB  1 
ATOM   350  C CG1 . VAL A 1 40  ? -36.753 0.132   -38.123 1.00 23.71 ? 46  VAL B CG1 1 
ATOM   351  C CG2 . VAL A 1 40  ? -38.306 -1.763  -37.695 1.00 23.27 ? 46  VAL B CG2 1 
ATOM   352  N N   . SER A 1 41  ? -38.968 -1.737  -41.663 1.00 18.54 ? 47  SER B N   1 
ATOM   353  C CA  . SER A 1 41  ? -39.545 -2.894  -42.384 1.00 19.45 ? 47  SER B CA  1 
ATOM   354  C C   . SER A 1 41  ? -39.287 -4.192  -41.610 1.00 17.77 ? 47  SER B C   1 
ATOM   355  O O   . SER A 1 41  ? -38.345 -4.257  -40.828 1.00 16.52 ? 47  SER B O   1 
ATOM   356  C CB  . SER A 1 41  ? -39.042 -2.993  -43.805 1.00 21.46 ? 47  SER B CB  1 
ATOM   357  O OG  . SER A 1 41  ? -37.644 -3.237  -43.794 1.00 24.52 ? 47  SER B OG  1 
ATOM   358  N N   . ASP A 1 42  ? -40.119 -5.207  -41.829 1.00 17.66 ? 48  ASP B N   1 
ATOM   359  C CA  . ASP A 1 42  ? -39.975 -6.552  -41.247 1.00 16.66 ? 48  ASP B CA  1 
ATOM   360  C C   . ASP A 1 42  ? -38.941 -7.302  -42.077 1.00 17.84 ? 48  ASP B C   1 
ATOM   361  O O   . ASP A 1 42  ? -38.675 -6.948  -43.246 1.00 17.84 ? 48  ASP B O   1 
ATOM   362  C CB  . ASP A 1 42  ? -41.291 -7.325  -41.131 1.00 19.09 ? 48  ASP B CB  1 
ATOM   363  C CG  . ASP A 1 42  ? -41.361 -8.312  -39.953 1.00 22.24 ? 48  ASP B CG  1 
ATOM   364  O OD1 . ASP A 1 42  ? -40.338 -8.491  -39.266 1.00 17.30 ? 48  ASP B OD1 1 
ATOM   365  O OD2 . ASP A 1 42  ? -42.485 -8.844  -39.617 1.00 25.34 ? 48  ASP B OD2 1 
ATOM   366  N N   . ASN A 1 43  ? -38.348 -8.311  -41.461 1.00 16.34 ? 49  ASN B N   1 
ATOM   367  C CA  . ASN A 1 43  ? -37.355 -9.198  -42.108 1.00 17.90 ? 49  ASN B CA  1 
ATOM   368  C C   . ASN A 1 43  ? -37.313 -10.502 -41.315 1.00 18.63 ? 49  ASN B C   1 
ATOM   369  O O   . ASN A 1 43  ? -37.903 -10.592 -40.197 1.00 18.22 ? 49  ASN B O   1 
ATOM   370  C CB  . ASN A 1 43  ? -36.002 -8.515  -42.291 1.00 16.85 ? 49  ASN B CB  1 
ATOM   371  C CG  . ASN A 1 43  ? -35.246 -8.317  -40.989 1.00 18.72 ? 49  ASN B CG  1 
ATOM   372  O OD1 . ASN A 1 43  ? -35.092 -9.258  -40.225 1.00 20.19 ? 49  ASN B OD1 1 
ATOM   373  N ND2 . ASN A 1 43  ? -34.833 -7.123  -40.690 1.00 18.14 ? 49  ASN B ND2 1 
ATOM   374  N N   . LYS A 1 44  ? -36.703 -11.539 -41.873 1.00 19.09 ? 50  LYS B N   1 
ATOM   375  C CA  . LYS A 1 44  ? -36.751 -12.880 -41.250 1.00 20.28 ? 50  LYS B CA  1 
ATOM   376  C C   . LYS A 1 44  ? -35.840 -12.936 -40.012 1.00 17.33 ? 50  LYS B C   1 
ATOM   377  O O   . LYS A 1 44  ? -36.026 -13.896 -39.232 1.00 19.06 ? 50  LYS B O   1 
ATOM   378  C CB  . LYS A 1 44  ? -36.299 -13.956 -42.250 1.00 24.49 ? 50  LYS B CB  1 
ATOM   379  C CG  . LYS A 1 44  ? -34.878 -13.773 -42.747 1.00 30.00 ? 50  LYS B CG  1 
ATOM   380  C CD  . LYS A 1 44  ? -34.355 -14.908 -43.622 1.00 39.27 ? 50  LYS B CD  1 
ATOM   381  C CE  . LYS A 1 44  ? -32.890 -14.715 -43.954 1.00 43.44 ? 50  LYS B CE  1 
ATOM   382  N NZ  . LYS A 1 44  ? -32.428 -15.744 -44.913 1.00 50.16 ? 50  LYS B NZ  1 
ATOM   383  N N   . GLU A 1 45  ? -34.928 -11.986 -39.846 1.00 17.38 ? 51  GLU B N   1 
ATOM   384  C CA  . GLU A 1 45  ? -34.012 -11.973 -38.663 1.00 18.04 ? 51  GLU B CA  1 
ATOM   385  C C   . GLU A 1 45  ? -34.696 -11.412 -37.400 1.00 16.16 ? 51  GLU B C   1 
ATOM   386  O O   . GLU A 1 45  ? -34.233 -11.727 -36.270 1.00 17.11 ? 51  GLU B O   1 
ATOM   387  C CB  . GLU A 1 45  ? -32.787 -11.132 -38.946 1.00 20.67 ? 51  GLU B CB  1 
ATOM   388  C CG  . GLU A 1 45  ? -31.913 -11.595 -40.114 1.00 24.98 ? 51  GLU B CG  1 
ATOM   389  C CD  . GLU A 1 45  ? -30.726 -10.638 -40.251 1.00 34.33 ? 51  GLU B CD  1 
ATOM   390  O OE1 . GLU A 1 45  ? -30.717 -9.820  -41.210 1.00 48.50 ? 51  GLU B OE1 1 
ATOM   391  O OE2 . GLU A 1 45  ? -29.852 -10.620 -39.360 1.00 44.92 ? 51  GLU B OE2 1 
ATOM   392  N N   . ARG A 1 46  ? -35.726 -10.567 -37.509 1.00 14.44 ? 52  ARG B N   1 
ATOM   393  C CA  . ARG A 1 46  ? -36.231 -9.838  -36.313 1.00 14.11 ? 52  ARG B CA  1 
ATOM   394  C C   . ARG A 1 46  ? -36.949 -10.771 -35.348 1.00 13.70 ? 52  ARG B C   1 
ATOM   395  O O   . ARG A 1 46  ? -37.825 -11.600 -35.738 1.00 14.41 ? 52  ARG B O   1 
ATOM   396  C CB  . ARG A 1 46  ? -37.198 -8.721  -36.725 1.00 14.16 ? 52  ARG B CB  1 
ATOM   397  C CG  . ARG A 1 46  ? -36.576 -7.604  -37.519 1.00 14.80 ? 52  ARG B CG  1 
ATOM   398  C CD  . ARG A 1 46  ? -37.520 -6.380  -37.512 1.00 14.64 ? 52  ARG B CD  1 
ATOM   399  N NE  . ARG A 1 46  ? -36.988 -5.381  -38.395 1.00 15.66 ? 52  ARG B NE  1 
ATOM   400  C CZ  . ARG A 1 46  ? -35.898 -4.672  -38.142 1.00 16.20 ? 52  ARG B CZ  1 
ATOM   401  N NH1 . ARG A 1 46  ? -35.310 -4.699  -36.945 1.00 14.40 ? 52  ARG B NH1 1 
ATOM   402  N NH2 . ARG A 1 46  ? -35.422 -3.837  -39.051 1.00 19.45 ? 52  ARG B NH2 1 
ATOM   403  N N   . PHE A 1 47  ? -36.635 -10.676 -34.060 1.00 13.00 ? 53  PHE B N   1 
ATOM   404  C CA  . PHE A 1 47  ? -37.430 -11.377 -33.037 1.00 12.44 ? 53  PHE B CA  1 
ATOM   405  C C   . PHE A 1 47  ? -38.852 -10.770 -33.068 1.00 14.19 ? 53  PHE B C   1 
ATOM   406  O O   . PHE A 1 47  ? -38.989 -9.575  -32.799 1.00 15.05 ? 53  PHE B O   1 
ATOM   407  C CB  . PHE A 1 47  ? -36.812 -11.301 -31.653 1.00 12.43 ? 53  PHE B CB  1 
ATOM   408  C CG  . PHE A 1 47  ? -35.562 -12.134 -31.528 1.00 11.56 ? 53  PHE B CG  1 
ATOM   409  C CD1 . PHE A 1 47  ? -35.675 -13.491 -31.263 1.00 11.91 ? 53  PHE B CD1 1 
ATOM   410  C CD2 . PHE A 1 47  ? -34.299 -11.576 -31.602 1.00 12.44 ? 53  PHE B CD2 1 
ATOM   411  C CE1 . PHE A 1 47  ? -34.546 -14.303 -31.136 1.00 12.59 ? 53  PHE B CE1 1 
ATOM   412  C CE2 . PHE A 1 47  ? -33.174 -12.395 -31.466 1.00 12.97 ? 53  PHE B CE2 1 
ATOM   413  C CZ  . PHE A 1 47  ? -33.306 -13.755 -31.251 1.00 11.68 ? 53  PHE B CZ  1 
ATOM   414  N N   . SER A 1 48  ? -39.876 -11.582 -33.261 1.00 15.07 ? 54  SER B N   1 
ATOM   415  C CA  . SER A 1 48  ? -41.266 -11.060 -33.436 1.00 15.60 ? 54  SER B CA  1 
ATOM   416  C C   . SER A 1 48  ? -42.004 -10.980 -32.104 1.00 15.97 ? 54  SER B C   1 
ATOM   417  O O   . SER A 1 48  ? -42.790 -10.011 -31.911 1.00 18.41 ? 54  SER B O   1 
ATOM   418  C CB  . SER A 1 48  ? -42.004 -11.931 -34.435 1.00 15.69 ? 54  SER B CB  1 
ATOM   419  O OG  . SER A 1 48  ? -42.142 -13.267 -34.008 1.00 16.38 ? 54  SER B OG  1 
ATOM   420  N N   . ASN A 1 49  ? -41.856 -11.932 -31.219 1.00 14.47 ? 55  ASN B N   1 
ATOM   421  C CA  . ASN A 1 49  ? -42.783 -12.105 -30.075 1.00 14.86 ? 55  ASN B CA  1 
ATOM   422  C C   . ASN A 1 49  ? -42.298 -11.390 -28.814 1.00 14.23 ? 55  ASN B C   1 
ATOM   423  O O   . ASN A 1 49  ? -43.082 -11.232 -27.842 1.00 15.18 ? 55  ASN B O   1 
ATOM   424  C CB  . ASN A 1 49  ? -43.072 -13.557 -29.754 1.00 16.69 ? 55  ASN B CB  1 
ATOM   425  C CG  . ASN A 1 49  ? -43.996 -14.230 -30.763 1.00 20.37 ? 55  ASN B CG  1 
ATOM   426  O OD1 . ASN A 1 49  ? -43.828 -14.097 -31.981 1.00 21.60 ? 55  ASN B OD1 1 
ATOM   427  N ND2 . ASN A 1 49  ? -44.916 -15.026 -30.236 1.00 23.58 ? 55  ASN B ND2 1 
ATOM   428  N N   . TYR A 1 50  ? -41.009 -11.045 -28.762 1.00 12.73 ? 56  TYR B N   1 
ATOM   429  C CA  . TYR A 1 50  ? -40.404 -10.550 -27.504 1.00 12.23 ? 56  TYR B CA  1 
ATOM   430  C C   . TYR A 1 50  ? -39.444 -9.419  -27.843 1.00 11.86 ? 56  TYR B C   1 
ATOM   431  O O   . TYR A 1 50  ? -38.903 -9.362  -28.961 1.00 12.46 ? 56  TYR B O   1 
ATOM   432  C CB  . TYR A 1 50  ? -39.582 -11.671 -26.867 1.00 12.58 ? 56  TYR B CB  1 
ATOM   433  C CG  . TYR A 1 50  ? -40.273 -13.003 -26.736 1.00 13.92 ? 56  TYR B CG  1 
ATOM   434  C CD1 . TYR A 1 50  ? -41.291 -13.199 -25.809 1.00 15.27 ? 56  TYR B CD1 1 
ATOM   435  C CD2 . TYR A 1 50  ? -39.971 -14.064 -27.568 1.00 15.23 ? 56  TYR B CD2 1 
ATOM   436  C CE1 . TYR A 1 50  ? -41.966 -14.414 -25.690 1.00 17.82 ? 56  TYR B CE1 1 
ATOM   437  C CE2 . TYR A 1 50  ? -40.666 -15.253 -27.507 1.00 16.26 ? 56  TYR B CE2 1 
ATOM   438  C CZ  . TYR A 1 50  ? -41.650 -15.447 -26.549 1.00 16.91 ? 56  TYR B CZ  1 
ATOM   439  O OH  . TYR A 1 50  ? -42.275 -16.674 -26.485 1.00 17.73 ? 56  TYR B OH  1 
ATOM   440  N N   . PRO A 1 51  ? -39.110 -8.539  -26.876 1.00 11.47 ? 57  PRO B N   1 
ATOM   441  C CA  . PRO A 1 51  ? -38.257 -7.374  -27.109 1.00 11.59 ? 57  PRO B CA  1 
ATOM   442  C C   . PRO A 1 51  ? -36.751 -7.703  -27.079 1.00 11.55 ? 57  PRO B C   1 
ATOM   443  O O   . PRO A 1 51  ? -35.979 -7.186  -26.272 1.00 11.70 ? 57  PRO B O   1 
ATOM   444  C CB  . PRO A 1 51  ? -38.642 -6.388  -25.974 1.00 13.80 ? 57  PRO B CB  1 
ATOM   445  C CG  . PRO A 1 51  ? -39.808 -7.029  -25.288 1.00 13.19 ? 57  PRO B CG  1 
ATOM   446  C CD  . PRO A 1 51  ? -39.745 -8.482  -25.565 1.00 12.05 ? 57  PRO B CD  1 
ATOM   447  N N   . MET A 1 52  ? -36.358 -8.559  -28.034 1.00 10.95 ? 58  MET B N   1 
ATOM   448  C CA  . MET A 1 52  ? -35.016 -9.175  -28.100 1.00 10.47 ? 58  MET B CA  1 
ATOM   449  C C   . MET A 1 52  ? -34.190 -8.596  -29.251 1.00 10.48 ? 58  MET B C   1 
ATOM   450  O O   . MET A 1 52  ? -34.713 -8.126  -30.300 1.00 10.95 ? 58  MET B O   1 
ATOM   451  C CB  . MET A 1 52  ? -35.131 -10.698 -28.268 1.00 10.69 ? 58  MET B CB  1 
ATOM   452  C CG  . MET A 1 52  ? -35.688 -11.366 -27.075 1.00 10.56 ? 58  MET B CG  1 
ATOM   453  S SD  . MET A 1 52  ? -36.190 -13.082 -27.464 1.00 12.64 ? 58  MET B SD  1 
ATOM   454  C CE  . MET A 1 52  ? -36.762 -13.705 -25.892 1.00 12.48 ? 58  MET B CE  1 
ATOM   455  N N   . VAL A 1 53  ? -32.861 -8.673  -29.093 1.00 10.78 ? 59  VAL B N   1 
ATOM   456  C CA  . VAL A 1 53  ? -31.898 -8.214  -30.134 1.00 11.03 ? 59  VAL B CA  1 
ATOM   457  C C   . VAL A 1 53  ? -30.600 -8.995  -29.922 1.00 11.39 ? 59  VAL B C   1 
ATOM   458  O O   . VAL A 1 53  ? -30.327 -9.393  -28.743 1.00 11.69 ? 59  VAL B O   1 
ATOM   459  C CB  . VAL A 1 53  ? -31.698 -6.681  -30.080 1.00 11.59 ? 59  VAL B CB  1 
ATOM   460  C CG1 . VAL A 1 53  ? -31.167 -6.190  -28.769 1.00 11.75 ? 59  VAL B CG1 1 
ATOM   461  C CG2 . VAL A 1 53  ? -30.818 -6.160  -31.219 1.00 11.60 ? 59  VAL B CG2 1 
ATOM   462  N N   . LEU A 1 54  ? -29.821 -9.154  -30.966 1.00 11.89 ? 60  LEU B N   1 
ATOM   463  C CA  . LEU A 1 54  ? -28.504 -9.834  -30.905 1.00 11.33 ? 60  LEU B CA  1 
ATOM   464  C C   . LEU A 1 54  ? -27.372 -8.833  -31.031 1.00 12.56 ? 60  LEU B C   1 
ATOM   465  O O   . LEU A 1 54  ? -27.497 -7.779  -31.756 1.00 12.70 ? 60  LEU B O   1 
ATOM   466  C CB  . LEU A 1 54  ? -28.348 -10.906 -31.992 1.00 11.92 ? 60  LEU B CB  1 
ATOM   467  C CG  . LEU A 1 54  ? -29.421 -11.966 -32.041 1.00 12.51 ? 60  LEU B CG  1 
ATOM   468  C CD1 . LEU A 1 54  ? -29.130 -13.079 -33.043 1.00 14.72 ? 60  LEU B CD1 1 
ATOM   469  C CD2 . LEU A 1 54  ? -29.640 -12.595 -30.675 1.00 12.98 ? 60  LEU B CD2 1 
ATOM   470  N N   . GLY A 1 55  ? -26.228 -9.168  -30.437 1.00 11.52 ? 61  GLY B N   1 
ATOM   471  C CA  . GLY A 1 55  ? -24.982 -8.469  -30.811 1.00 11.83 ? 61  GLY B CA  1 
ATOM   472  C C   . GLY A 1 55  ? -24.574 -8.808  -32.246 1.00 11.70 ? 61  GLY B C   1 
ATOM   473  O O   . GLY A 1 55  ? -24.892 -9.893  -32.726 1.00 12.38 ? 61  GLY B O   1 
ATOM   474  N N   . ALA A 1 56  ? -23.811 -7.936  -32.873 1.00 12.69 ? 62  ALA B N   1 
ATOM   475  C CA  . ALA A 1 56  ? -23.316 -8.130  -34.255 1.00 14.52 ? 62  ALA B CA  1 
ATOM   476  C C   . ALA A 1 56  ? -22.210 -9.196  -34.274 1.00 15.12 ? 62  ALA B C   1 
ATOM   477  O O   . ALA A 1 56  ? -22.052 -9.914  -35.299 1.00 18.34 ? 62  ALA B O   1 
ATOM   478  C CB  . ALA A 1 56  ? -22.826 -6.795  -34.729 1.00 15.57 ? 62  ALA B CB  1 
ATOM   479  N N   . GLN A 1 57  ? -21.445 -9.274  -33.193 1.00 15.54 ? 63  GLN B N   1 
ATOM   480  C CA  . GLN A 1 57  ? -20.226 -10.133 -33.165 1.00 14.95 ? 63  GLN B CA  1 
ATOM   481  C C   . GLN A 1 57  ? -20.645 -11.608 -33.156 1.00 16.47 ? 63  GLN B C   1 
ATOM   482  O O   . GLN A 1 57  ? -21.638 -11.993 -32.487 1.00 15.07 ? 63  GLN B O   1 
ATOM   483  C CB  . GLN A 1 57  ? -19.378 -9.768  -31.943 1.00 17.00 ? 63  GLN B CB  1 
ATOM   484  C CG  . GLN A 1 57  ? -18.686 -8.412  -32.028 1.00 17.95 ? 63  GLN B CG  1 
ATOM   485  C CD  . GLN A 1 57  ? -19.652 -7.248  -31.913 1.00 18.89 ? 63  GLN B CD  1 
ATOM   486  O OE1 . GLN A 1 57  ? -20.610 -7.303  -31.160 1.00 17.39 ? 63  GLN B OE1 1 
ATOM   487  N NE2 . GLN A 1 57  ? -19.399 -6.175  -32.632 1.00 20.70 ? 63  GLN B NE2 1 
ATOM   488  N N   . ARG A 1 58  ? -19.907 -12.454 -33.882 1.00 15.92 ? 64  ARG B N   1 
ATOM   489  C CA  . ARG A 1 58  ? -20.070 -13.922 -33.881 1.00 15.81 ? 64  ARG B CA  1 
ATOM   490  C C   . ARG A 1 58  ? -18.796 -14.545 -33.321 1.00 14.95 ? 64  ARG B C   1 
ATOM   491  O O   . ARG A 1 58  ? -17.695 -14.112 -33.672 1.00 17.24 ? 64  ARG B O   1 
ATOM   492  C CB  . ARG A 1 58  ? -20.233 -14.504 -35.293 1.00 20.10 ? 64  ARG B CB  1 
ATOM   493  C CG  . ARG A 1 58  ? -21.591 -14.305 -35.966 1.00 28.96 ? 64  ARG B CG  1 
ATOM   494  C CD  . ARG A 1 58  ? -22.142 -12.907 -35.773 1.00 30.31 ? 64  ARG B CD  1 
ATOM   495  N NE  . ARG A 1 58  ? -22.984 -12.175 -36.732 1.00 35.36 ? 64  ARG B NE  1 
ATOM   496  C CZ  . ARG A 1 58  ? -23.677 -12.652 -37.753 1.00 31.68 ? 64  ARG B CZ  1 
ATOM   497  N NH1 . ARG A 1 58  ? -24.373 -11.805 -38.496 1.00 36.14 ? 64  ARG B NH1 1 
ATOM   498  N NH2 . ARG A 1 58  ? -23.674 -13.929 -38.057 1.00 31.48 ? 64  ARG B NH2 1 
ATOM   499  N N   . PHE A 1 59  ? -18.941 -15.460 -32.379 1.00 14.46 ? 65  PHE B N   1 
ATOM   500  C CA  . PHE A 1 59  ? -17.780 -16.131 -31.729 1.00 14.16 ? 65  PHE B CA  1 
ATOM   501  C C   . PHE A 1 59  ? -17.835 -17.624 -32.023 1.00 12.99 ? 65  PHE B C   1 
ATOM   502  O O   . PHE A 1 59  ? -18.866 -18.277 -31.809 1.00 12.68 ? 65  PHE B O   1 
ATOM   503  C CB  . PHE A 1 59  ? -17.874 -15.891 -30.209 1.00 15.20 ? 65  PHE B CB  1 
ATOM   504  C CG  . PHE A 1 59  ? -17.893 -14.424 -29.832 1.00 17.11 ? 65  PHE B CG  1 
ATOM   505  C CD1 . PHE A 1 59  ? -16.909 -13.576 -30.310 1.00 19.46 ? 65  PHE B CD1 1 
ATOM   506  C CD2 . PHE A 1 59  ? -18.882 -13.902 -29.035 1.00 24.38 ? 65  PHE B CD2 1 
ATOM   507  C CE1 . PHE A 1 59  ? -16.903 -12.221 -29.991 1.00 22.15 ? 65  PHE B CE1 1 
ATOM   508  C CE2 . PHE A 1 59  ? -18.858 -12.553 -28.683 1.00 19.58 ? 65  PHE B CE2 1 
ATOM   509  C CZ  . PHE A 1 59  ? -17.914 -11.727 -29.210 1.00 20.71 ? 65  PHE B CZ  1 
ATOM   510  N N   A SER A 1 60  ? -16.716 -18.198 -32.478 0.25 13.63 ? 66  SER B N   1 
ATOM   511  N N   B SER A 1 60  ? -16.716 -18.190 -32.496 0.25 13.44 ? 66  SER B N   1 
ATOM   512  C CA  A SER A 1 60  ? -16.619 -19.649 -32.780 0.25 14.33 ? 66  SER B CA  1 
ATOM   513  C CA  B SER A 1 60  ? -16.585 -19.636 -32.819 0.25 14.05 ? 66  SER B CA  1 
ATOM   514  C C   A SER A 1 60  ? -15.397 -20.277 -32.093 0.25 14.29 ? 66  SER B C   1 
ATOM   515  C C   B SER A 1 60  ? -15.314 -20.224 -32.205 0.25 14.47 ? 66  SER B C   1 
ATOM   516  O O   A SER A 1 60  ? -15.245 -21.511 -32.182 0.25 14.00 ? 66  SER B O   1 
ATOM   517  O O   B SER A 1 60  ? -14.894 -21.299 -32.662 0.25 13.59 ? 66  SER B O   1 
ATOM   518  C CB  A SER A 1 60  ? -16.641 -19.880 -34.280 0.25 15.09 ? 66  SER B CB  1 
ATOM   519  C CB  B SER A 1 60  ? -16.562 -19.854 -34.303 0.25 14.23 ? 66  SER B CB  1 
ATOM   520  O OG  A SER A 1 60  ? -17.965 -19.671 -34.791 0.25 16.28 ? 66  SER B OG  1 
ATOM   521  O OG  B SER A 1 60  ? -15.526 -19.092 -34.875 0.25 14.47 ? 66  SER B OG  1 
ATOM   522  N N   A SER A 1 61  ? -14.593 -19.468 -31.392 0.25 13.81 ? 67  SER B N   1 
ATOM   523  N N   B SER A 1 61  ? -14.716 -19.530 -31.237 0.25 14.98 ? 67  SER B N   1 
ATOM   524  C CA  A SER A 1 61  ? -13.415 -19.934 -30.623 0.25 14.12 ? 67  SER B CA  1 
ATOM   525  C CA  B SER A 1 61  ? -13.436 -19.933 -30.619 0.25 16.04 ? 67  SER B CA  1 
ATOM   526  C C   A SER A 1 61  ? -13.123 -18.963 -29.479 0.25 14.61 ? 67  SER B C   1 
ATOM   527  C C   B SER A 1 61  ? -13.018 -18.909 -29.565 0.25 15.70 ? 67  SER B C   1 
ATOM   528  O O   A SER A 1 61  ? -13.777 -17.914 -29.407 0.25 14.56 ? 67  SER B O   1 
ATOM   529  O O   B SER A 1 61  ? -13.431 -17.732 -29.686 0.25 15.44 ? 67  SER B O   1 
ATOM   530  C CB  A SER A 1 61  ? -12.207 -20.085 -31.534 0.25 13.89 ? 67  SER B CB  1 
ATOM   531  C CB  B SER A 1 61  ? -12.381 -20.072 -31.692 0.25 17.23 ? 67  SER B CB  1 
ATOM   532  O OG  A SER A 1 61  ? -11.741 -18.822 -31.973 0.25 13.28 ? 67  SER B OG  1 
ATOM   533  O OG  B SER A 1 61  ? -11.165 -20.523 -31.127 0.25 19.79 ? 67  SER B OG  1 
ATOM   534  N N   . GLY A 1 62  ? -12.187 -19.326 -28.606 1.00 16.19 ? 68  GLY B N   1 
ATOM   535  C CA  . GLY A 1 62  ? -11.589 -18.364 -27.676 1.00 16.43 ? 68  GLY B CA  1 
ATOM   536  C C   . GLY A 1 62  ? -12.429 -18.064 -26.453 1.00 14.24 ? 68  GLY B C   1 
ATOM   537  O O   . GLY A 1 62  ? -13.423 -18.755 -26.185 1.00 14.67 ? 68  GLY B O   1 
ATOM   538  N N   . LYS A 1 63  ? -11.920 -17.088 -25.734 1.00 14.12 ? 69  LYS B N   1 
ATOM   539  C CA  . LYS A 1 63  ? -12.489 -16.607 -24.475 1.00 15.12 ? 69  LYS B CA  1 
ATOM   540  C C   . LYS A 1 63  ? -12.926 -15.160 -24.735 1.00 14.53 ? 69  LYS B C   1 
ATOM   541  O O   . LYS A 1 63  ? -12.128 -14.353 -25.218 1.00 16.08 ? 69  LYS B O   1 
ATOM   542  C CB  . LYS A 1 63  ? -11.480 -16.767 -23.342 1.00 17.00 ? 69  LYS B CB  1 
ATOM   543  C CG  . LYS A 1 63  ? -11.082 -18.208 -23.020 1.00 16.82 ? 69  LYS B CG  1 
ATOM   544  C CD  . LYS A 1 63  ? -9.954  -18.290 -21.948 1.00 19.63 ? 69  LYS B CD  1 
ATOM   545  C CE  . LYS A 1 63  ? -9.557  -19.707 -21.603 1.00 23.29 ? 69  LYS B CE  1 
ATOM   546  N NZ  . LYS A 1 63  ? -8.512  -19.696 -20.555 1.00 26.19 ? 69  LYS B NZ  1 
ATOM   547  N N   . MET A 1 64  ? -14.146 -14.818 -24.326 1.00 13.48 ? 70  MET B N   1 
ATOM   548  C CA  . MET A 1 64  ? -14.779 -13.491 -24.513 1.00 13.57 ? 70  MET B CA  1 
ATOM   549  C C   . MET A 1 64  ? -15.426 -13.039 -23.204 1.00 12.69 ? 70  MET B C   1 
ATOM   550  O O   . MET A 1 64  ? -15.988 -13.871 -22.493 1.00 13.05 ? 70  MET B O   1 
ATOM   551  C CB  . MET A 1 64  ? -15.895 -13.611 -25.537 1.00 13.68 ? 70  MET B CB  1 
ATOM   552  C CG  . MET A 1 64  ? -15.462 -13.761 -26.964 1.00 14.39 ? 70  MET B CG  1 
ATOM   553  S SD  . MET A 1 64  ? -14.693 -15.325 -27.480 1.00 16.08 ? 70  MET B SD  1 
ATOM   554  C CE  . MET A 1 64  ? -15.917 -16.544 -27.055 1.00 15.23 ? 70  MET B CE  1 
ATOM   555  N N   . TYR A 1 65  ? -15.387 -11.755 -22.917 1.00 12.71 ? 71  TYR B N   1 
ATOM   556  C CA  . TYR A 1 65  ? -15.969 -11.187 -21.674 1.00 12.82 ? 71  TYR B CA  1 
ATOM   557  C C   . TYR A 1 65  ? -16.607 -9.866  -22.067 1.00 14.16 ? 71  TYR B C   1 
ATOM   558  O O   . TYR A 1 65  ? -15.975 -9.047  -22.811 1.00 14.63 ? 71  TYR B O   1 
ATOM   559  C CB  . TYR A 1 65  ? -14.924 -11.002 -20.569 1.00 14.64 ? 71  TYR B CB  1 
ATOM   560  C CG  . TYR A 1 65  ? -15.470 -10.369 -19.318 1.00 13.79 ? 71  TYR B CG  1 
ATOM   561  C CD1 . TYR A 1 65  ? -16.198 -11.134 -18.432 1.00 13.91 ? 71  TYR B CD1 1 
ATOM   562  C CD2 . TYR A 1 65  ? -15.283 -9.017  -19.041 1.00 14.04 ? 71  TYR B CD2 1 
ATOM   563  C CE1 . TYR A 1 65  ? -16.724 -10.586 -17.263 1.00 14.67 ? 71  TYR B CE1 1 
ATOM   564  C CE2 . TYR A 1 65  ? -15.808 -8.448  -17.887 1.00 13.94 ? 71  TYR B CE2 1 
ATOM   565  C CZ  . TYR A 1 65  ? -16.506 -9.232  -17.000 1.00 14.17 ? 71  TYR B CZ  1 
ATOM   566  O OH  . TYR A 1 65  ? -17.006 -8.623  -15.872 1.00 16.47 ? 71  TYR B OH  1 
ATOM   567  N N   . TRP A 1 66  ? -17.803 -9.591  -21.556 1.00 12.20 ? 72  TRP B N   1 
ATOM   568  C CA  . TRP A 1 66  ? -18.403 -8.238  -21.692 1.00 12.98 ? 72  TRP B CA  1 
ATOM   569  C C   . TRP A 1 66  ? -19.299 -7.959  -20.476 1.00 13.33 ? 72  TRP B C   1 
ATOM   570  O O   . TRP A 1 66  ? -19.627 -8.897  -19.713 1.00 13.00 ? 72  TRP B O   1 
ATOM   571  C CB  . TRP A 1 66  ? -19.143 -8.044  -23.048 1.00 12.18 ? 72  TRP B CB  1 
ATOM   572  C CG  . TRP A 1 66  ? -20.324 -8.919  -23.282 1.00 11.86 ? 72  TRP B CG  1 
ATOM   573  C CD1 . TRP A 1 66  ? -21.657 -8.610  -23.087 1.00 11.78 ? 72  TRP B CD1 1 
ATOM   574  C CD2 . TRP A 1 66  ? -20.322 -10.231 -23.810 1.00 12.49 ? 72  TRP B CD2 1 
ATOM   575  N NE1 . TRP A 1 66  ? -22.456 -9.651  -23.510 1.00 12.19 ? 72  TRP B NE1 1 
ATOM   576  C CE2 . TRP A 1 66  ? -21.655 -10.677 -23.909 1.00 12.35 ? 72  TRP B CE2 1 
ATOM   577  C CE3 . TRP A 1 66  ? -19.301 -11.104 -24.195 1.00 13.95 ? 72  TRP B CE3 1 
ATOM   578  C CZ2 . TRP A 1 66  ? -22.004 -11.913 -24.415 1.00 13.94 ? 72  TRP B CZ2 1 
ATOM   579  C CZ3 . TRP A 1 66  ? -19.640 -12.350 -24.659 1.00 16.63 ? 72  TRP B CZ3 1 
ATOM   580  C CH2 . TRP A 1 66  ? -20.964 -12.764 -24.755 1.00 14.72 ? 72  TRP B CH2 1 
ATOM   581  N N   . GLU A 1 67  ? -19.724 -6.701  -20.311 1.00 12.80 ? 73  GLU B N   1 
ATOM   582  C CA  . GLU A 1 67  ? -20.545 -6.268  -19.156 1.00 12.75 ? 73  GLU B CA  1 
ATOM   583  C C   . GLU A 1 67  ? -21.760 -5.497  -19.647 1.00 12.43 ? 73  GLU B C   1 
ATOM   584  O O   . GLU A 1 67  ? -21.669 -4.798  -20.648 1.00 12.97 ? 73  GLU B O   1 
ATOM   585  C CB  . GLU A 1 67  ? -19.733 -5.411  -18.189 1.00 14.07 ? 73  GLU B CB  1 
ATOM   586  C CG  . GLU A 1 67  ? -18.614 -6.239  -17.540 1.00 16.63 ? 73  GLU B CG  1 
ATOM   587  C CD  . GLU A 1 67  ? -17.769 -5.472  -16.545 1.00 20.27 ? 73  GLU B CD  1 
ATOM   588  O OE1 . GLU A 1 67  ? -17.978 -4.210  -16.451 1.00 25.66 ? 73  GLU B OE1 1 
ATOM   589  O OE2 . GLU A 1 67  ? -16.952 -6.130  -15.795 1.00 18.42 ? 73  GLU B OE2 1 
ATOM   590  N N   . VAL A 1 68  ? -22.867 -5.707  -18.955 1.00 12.51 ? 74  VAL B N   1 
ATOM   591  C CA  . VAL A 1 68  ? -24.151 -5.059  -19.288 1.00 11.61 ? 74  VAL B CA  1 
ATOM   592  C C   . VAL A 1 68  ? -24.729 -4.381  -18.047 1.00 11.85 ? 74  VAL B C   1 
ATOM   593  O O   . VAL A 1 68  ? -24.826 -5.022  -16.969 1.00 12.70 ? 74  VAL B O   1 
ATOM   594  C CB  . VAL A 1 68  ? -25.157 -6.072  -19.843 1.00 11.79 ? 74  VAL B CB  1 
ATOM   595  C CG1 . VAL A 1 68  ? -26.407 -5.348  -20.296 1.00 13.53 ? 74  VAL B CG1 1 
ATOM   596  C CG2 . VAL A 1 68  ? -24.531 -6.946  -20.922 1.00 12.48 ? 74  VAL B CG2 1 
ATOM   597  N N   . ASP A 1 69  ? -25.170 -3.136  -18.240 1.00 12.15 ? 75  ASP B N   1 
ATOM   598  C CA  . ASP A 1 69  ? -25.818 -2.322  -17.180 1.00 13.45 ? 75  ASP B CA  1 
ATOM   599  C C   . ASP A 1 69  ? -27.309 -2.608  -17.210 1.00 12.22 ? 75  ASP B C   1 
ATOM   600  O O   . ASP A 1 69  ? -27.912 -2.493  -18.324 1.00 12.94 ? 75  ASP B O   1 
ATOM   601  C CB  . ASP A 1 69  ? -25.516 -0.825  -17.353 1.00 14.97 ? 75  ASP B CB  1 
ATOM   602  C CG  . ASP A 1 69  ? -25.919 -0.014  -16.120 1.00 17.08 ? 75  ASP B CG  1 
ATOM   603  O OD1 . ASP A 1 69  ? -27.076 -0.015  -15.764 1.00 17.37 ? 75  ASP B OD1 1 
ATOM   604  O OD2 . ASP A 1 69  ? -25.010 0.480   -15.432 1.00 21.54 ? 75  ASP B OD2 1 
ATOM   605  N N   . VAL A 1 70  ? -27.888 -2.996  -16.077 1.00 12.47 ? 76  VAL B N   1 
ATOM   606  C CA  . VAL A 1 70  ? -29.327 -3.341  -15.920 1.00 12.97 ? 76  VAL B CA  1 
ATOM   607  C C   . VAL A 1 70  ? -30.003 -2.441  -14.860 1.00 13.40 ? 76  VAL B C   1 
ATOM   608  O O   . VAL A 1 70  ? -31.058 -2.786  -14.367 1.00 13.51 ? 76  VAL B O   1 
ATOM   609  C CB  . VAL A 1 70  ? -29.477 -4.853  -15.585 1.00 12.58 ? 76  VAL B CB  1 
ATOM   610  C CG1 . VAL A 1 70  ? -28.913 -5.774  -16.689 1.00 12.29 ? 76  VAL B CG1 1 
ATOM   611  C CG2 . VAL A 1 70  ? -28.851 -5.226  -14.233 1.00 12.63 ? 76  VAL B CG2 1 
ATOM   612  N N   . THR A 1 71  ? -29.373 -1.333  -14.493 1.00 13.62 ? 77  THR B N   1 
ATOM   613  C CA  . THR A 1 71  ? -29.849 -0.414  -13.437 1.00 14.77 ? 77  THR B CA  1 
ATOM   614  C C   . THR A 1 71  ? -31.347 -0.107  -13.628 1.00 15.33 ? 77  THR B C   1 
ATOM   615  O O   . THR A 1 71  ? -31.768 0.287   -14.727 1.00 15.23 ? 77  THR B O   1 
ATOM   616  C CB  . THR A 1 71  ? -29.054 0.889   -13.487 1.00 15.48 ? 77  THR B CB  1 
ATOM   617  O OG1 . THR A 1 71  ? -27.671 0.618   -13.194 1.00 17.64 ? 77  THR B OG1 1 
ATOM   618  C CG2 . THR A 1 71  ? -29.625 1.853   -12.476 1.00 18.97 ? 77  THR B CG2 1 
ATOM   619  N N   . GLN A 1 72  ? -32.086 -0.300  -12.539 1.00 19.41 ? 78  GLN B N   1 
ATOM   620  C CA  . GLN A 1 72  ? -33.522 0.022   -12.285 1.00 22.06 ? 78  GLN B CA  1 
ATOM   621  C C   . GLN A 1 72  ? -34.456 -0.750  -13.213 1.00 23.15 ? 78  GLN B C   1 
ATOM   622  O O   . GLN A 1 72  ? -35.673 -0.445  -13.241 1.00 26.08 ? 78  GLN B O   1 
ATOM   623  C CB  . GLN A 1 72  ? -33.746 1.532   -12.330 1.00 29.10 ? 78  GLN B CB  1 
ATOM   624  C CG  . GLN A 1 72  ? -33.552 2.169   -13.701 1.00 38.24 ? 78  GLN B CG  1 
ATOM   625  C CD  . GLN A 1 72  ? -34.597 3.214   -14.037 1.00 44.00 ? 78  GLN B CD  1 
ATOM   626  O OE1 . GLN A 1 72  ? -34.301 4.230   -14.674 1.00 48.53 ? 78  GLN B OE1 1 
ATOM   627  N NE2 . GLN A 1 72  ? -35.845 2.931   -13.667 1.00 46.81 ? 78  GLN B NE2 1 
ATOM   628  N N   . LYS A 1 73  ? -33.994 -1.768  -13.922 1.00 15.24 ? 79  LYS B N   1 
ATOM   629  C CA  . LYS A 1 73  ? -34.948 -2.625  -14.637 1.00 13.90 ? 79  LYS B CA  1 
ATOM   630  C C   . LYS A 1 73  ? -35.615 -3.665  -13.724 1.00 13.08 ? 79  LYS B C   1 
ATOM   631  O O   . LYS A 1 73  ? -34.977 -4.169  -12.744 1.00 14.84 ? 79  LYS B O   1 
ATOM   632  C CB  . LYS A 1 73  ? -34.238 -3.308  -15.800 1.00 13.79 ? 79  LYS B CB  1 
ATOM   633  C CG  . LYS A 1 73  ? -33.768 -2.333  -16.883 1.00 13.64 ? 79  LYS B CG  1 
ATOM   634  C CD  . LYS A 1 73  ? -33.285 -2.951  -18.179 1.00 14.08 ? 79  LYS B CD  1 
ATOM   635  C CE  . LYS A 1 73  ? -34.356 -3.673  -18.963 1.00 13.51 ? 79  LYS B CE  1 
ATOM   636  N NZ  . LYS A 1 73  ? -35.573 -2.848  -19.259 1.00 12.10 ? 79  LYS B NZ  1 
ATOM   637  N N   . GLU A 1 74  ? -36.864 -3.974  -14.030 1.00 11.65 ? 80  GLU B N   1 
ATOM   638  C CA  . GLU A 1 74  ? -37.683 -4.989  -13.332 1.00 12.09 ? 80  GLU B CA  1 
ATOM   639  C C   . GLU A 1 74  ? -37.628 -6.346  -14.036 1.00 11.83 ? 80  GLU B C   1 
ATOM   640  O O   . GLU A 1 74  ? -38.024 -7.366  -13.471 1.00 12.82 ? 80  GLU B O   1 
ATOM   641  C CB  . GLU A 1 74  ? -39.156 -4.548  -13.242 1.00 13.36 ? 80  GLU B CB  1 
ATOM   642  C CG  . GLU A 1 74  ? -39.367 -3.275  -12.456 1.00 14.62 ? 80  GLU B CG  1 
ATOM   643  C CD  . GLU A 1 74  ? -40.842 -2.833  -12.505 1.00 15.96 ? 80  GLU B CD  1 
ATOM   644  O OE1 . GLU A 1 74  ? -41.206 -1.978  -11.717 1.00 18.38 ? 80  GLU B OE1 1 
ATOM   645  O OE2 . GLU A 1 74  ? -41.599 -3.351  -13.371 1.00 18.64 ? 80  GLU B OE2 1 
ATOM   646  N N   . ALA A 1 75  ? -37.254 -6.369  -15.313 1.00 11.78 ? 81  ALA B N   1 
ATOM   647  C CA  . ALA A 1 75  ? -37.309 -7.615  -16.101 1.00 11.87 ? 81  ALA B CA  1 
ATOM   648  C C   . ALA A 1 75  ? -36.313 -7.506  -17.250 1.00 11.93 ? 81  ALA B C   1 
ATOM   649  O O   . ALA A 1 75  ? -36.239 -6.454  -17.914 1.00 11.84 ? 81  ALA B O   1 
ATOM   650  C CB  . ALA A 1 75  ? -38.686 -7.906  -16.674 1.00 12.86 ? 81  ALA B CB  1 
ATOM   651  N N   . TRP A 1 76  ? -35.587 -8.593  -17.515 1.00 10.77 ? 82  TRP B N   1 
ATOM   652  C CA  . TRP A 1 76  ? -34.603 -8.669  -18.632 1.00 10.75 ? 82  TRP B CA  1 
ATOM   653  C C   . TRP A 1 76  ? -34.092 -10.095 -18.730 1.00 11.15 ? 82  TRP B C   1 
ATOM   654  O O   . TRP A 1 76  ? -34.224 -10.843 -17.763 1.00 11.30 ? 82  TRP B O   1 
ATOM   655  C CB  . TRP A 1 76  ? -33.423 -7.701  -18.446 1.00 11.20 ? 82  TRP B CB  1 
ATOM   656  C CG  . TRP A 1 76  ? -32.762 -7.739  -17.098 1.00 10.79 ? 82  TRP B CG  1 
ATOM   657  C CD1 . TRP A 1 76  ? -32.942 -6.867  -16.070 1.00 12.88 ? 82  TRP B CD1 1 
ATOM   658  C CD2 . TRP A 1 76  ? -31.801 -8.690  -16.590 1.00 10.95 ? 82  TRP B CD2 1 
ATOM   659  N NE1 . TRP A 1 76  ? -32.180 -7.174  -14.987 1.00 12.60 ? 82  TRP B NE1 1 
ATOM   660  C CE2 . TRP A 1 76  ? -31.470 -8.311  -15.274 1.00 12.08 ? 82  TRP B CE2 1 
ATOM   661  C CE3 . TRP A 1 76  ? -31.177 -9.832  -17.131 1.00 12.12 ? 82  TRP B CE3 1 
ATOM   662  C CZ2 . TRP A 1 76  ? -30.542 -8.969  -14.483 1.00 11.83 ? 82  TRP B CZ2 1 
ATOM   663  C CZ3 . TRP A 1 76  ? -30.289 -10.522 -16.332 1.00 11.70 ? 82  TRP B CZ3 1 
ATOM   664  C CH2 . TRP A 1 76  ? -29.998 -10.104 -15.026 1.00 12.42 ? 82  TRP B CH2 1 
ATOM   665  N N   . ASP A 1 77  ? -33.580 -10.446 -19.906 1.00 10.66 ? 83  ASP B N   1 
ATOM   666  C CA  . ASP A 1 77  ? -32.826 -11.714 -20.123 1.00 11.11 ? 83  ASP B CA  1 
ATOM   667  C C   . ASP A 1 77  ? -31.463 -11.319 -20.716 1.00 11.22 ? 83  ASP B C   1 
ATOM   668  O O   . ASP A 1 77  ? -31.437 -10.420 -21.589 1.00 10.96 ? 83  ASP B O   1 
ATOM   669  C CB  . ASP A 1 77  ? -33.519 -12.672 -21.090 1.00 12.69 ? 83  ASP B CB  1 
ATOM   670  C CG  . ASP A 1 77  ? -35.019 -12.863 -20.934 1.00 15.91 ? 83  ASP B CG  1 
ATOM   671  O OD1 . ASP A 1 77  ? -35.440 -12.941 -19.819 1.00 18.42 ? 83  ASP B OD1 1 
ATOM   672  O OD2 . ASP A 1 77  ? -35.713 -13.045 -21.940 1.00 17.77 ? 83  ASP B OD2 1 
ATOM   673  N N   . LEU A 1 78  ? -30.386 -11.997 -20.331 1.00 10.19 ? 84  LEU B N   1 
ATOM   674  C CA  . LEU A 1 78  ? -29.025 -11.748 -20.875 1.00 10.43 ? 84  LEU B CA  1 
ATOM   675  C C   . LEU A 1 78  ? -28.285 -13.068 -21.044 1.00 10.00 ? 84  LEU B C   1 
ATOM   676  O O   . LEU A 1 78  ? -28.445 -13.980 -20.238 1.00 9.73  ? 84  LEU B O   1 
ATOM   677  C CB  . LEU A 1 78  ? -28.191 -10.886 -19.946 1.00 11.01 ? 84  LEU B CB  1 
ATOM   678  C CG  . LEU A 1 78  ? -28.582 -9.424  -19.831 1.00 12.22 ? 84  LEU B CG  1 
ATOM   679  C CD1 . LEU A 1 78  ? -27.758 -8.796  -18.701 1.00 13.76 ? 84  LEU B CD1 1 
ATOM   680  C CD2 . LEU A 1 78  ? -28.386 -8.728  -21.155 1.00 12.61 ? 84  LEU B CD2 1 
ATOM   681  N N   . GLY A 1 79  ? -27.478 -13.108 -22.104 1.00 9.42  ? 85  GLY B N   1 
ATOM   682  C CA  . GLY A 1 79  ? -26.489 -14.188 -22.221 1.00 10.31 ? 85  GLY B CA  1 
ATOM   683  C C   . GLY A 1 79  ? -25.969 -14.287 -23.629 1.00 9.29  ? 85  GLY B C   1 
ATOM   684  O O   . GLY A 1 79  ? -25.573 -13.280 -24.193 1.00 9.93  ? 85  GLY B O   1 
ATOM   685  N N   A VAL A 1 80  ? -25.885 -15.524 -24.134 0.25 9.51  ? 86  VAL B N   1 
ATOM   686  N N   B VAL A 1 80  ? -25.993 -15.495 -24.178 0.25 10.03 ? 86  VAL B N   1 
ATOM   687  C CA  A VAL A 1 80  ? -25.461 -15.845 -25.528 0.25 9.64  ? 86  VAL B CA  1 
ATOM   688  C CA  B VAL A 1 80  ? -25.423 -15.779 -25.521 0.25 10.46 ? 86  VAL B CA  1 
ATOM   689  C C   A VAL A 1 80  ? -26.471 -16.795 -26.156 0.25 9.92  ? 86  VAL B C   1 
ATOM   690  C C   B VAL A 1 80  ? -26.288 -16.877 -26.154 0.25 10.35 ? 86  VAL B C   1 
ATOM   691  O O   A VAL A 1 80  ? -27.226 -17.476 -25.447 0.25 10.38 ? 86  VAL B O   1 
ATOM   692  O O   B VAL A 1 80  ? -26.845 -17.694 -25.421 0.25 10.78 ? 86  VAL B O   1 
ATOM   693  C CB  A VAL A 1 80  ? -24.070 -16.496 -25.619 0.25 9.78  ? 86  VAL B CB  1 
ATOM   694  C CB  B VAL A 1 80  ? -23.932 -16.148 -25.384 0.25 11.55 ? 86  VAL B CB  1 
ATOM   695  C CG1 A VAL A 1 80  ? -22.993 -15.476 -25.337 0.25 9.50  ? 86  VAL B CG1 1 
ATOM   696  C CG1 B VAL A 1 80  ? -23.745 -17.523 -24.768 0.25 11.73 ? 86  VAL B CG1 1 
ATOM   697  C CG2 A VAL A 1 80  ? -23.944 -17.699 -24.700 0.25 9.97  ? 86  VAL B CG2 1 
ATOM   698  C CG2 B VAL A 1 80  ? -23.175 -16.036 -26.690 0.25 11.96 ? 86  VAL B CG2 1 
ATOM   699  N N   . CYS A 1 81  ? -26.446 -16.880 -27.480 1.00 10.20 ? 87  CYS B N   1 
ATOM   700  C CA  . CYS A 1 81  ? -27.268 -17.871 -28.176 1.00 11.04 ? 87  CYS B CA  1 
ATOM   701  C C   . CYS A 1 81  ? -26.584 -18.257 -29.477 1.00 11.17 ? 87  CYS B C   1 
ATOM   702  O O   . CYS A 1 81  ? -25.701 -17.526 -29.976 1.00 10.93 ? 87  CYS B O   1 
ATOM   703  C CB  . CYS A 1 81  ? -28.672 -17.329 -28.437 1.00 12.77 ? 87  CYS B CB  1 
ATOM   704  S SG  . CYS A 1 81  ? -28.749 -15.904 -29.568 1.00 12.67 ? 87  CYS B SG  1 
ATOM   705  N N   A ARG A 1 82  ? -26.995 -19.392 -30.014 0.25 11.87 ? 88  ARG B N   1 
ATOM   706  N N   B ARG A 1 82  ? -26.990 -19.396 -30.018 0.25 10.59 ? 88  ARG B N   1 
ATOM   707  C CA  A ARG A 1 82  ? -26.593 -19.808 -31.375 0.25 12.77 ? 88  ARG B CA  1 
ATOM   708  C CA  B ARG A 1 82  ? -26.551 -19.859 -31.359 0.25 10.57 ? 88  ARG B CA  1 
ATOM   709  C C   A ARG A 1 82  ? -27.030 -18.752 -32.385 0.25 12.30 ? 88  ARG B C   1 
ATOM   710  C C   B ARG A 1 82  ? -27.071 -18.880 -32.426 0.25 11.16 ? 88  ARG B C   1 
ATOM   711  O O   A ARG A 1 82  ? -28.092 -18.123 -32.225 0.25 11.94 ? 88  ARG B O   1 
ATOM   712  O O   B ARG A 1 82  ? -28.248 -18.434 -32.344 0.25 11.06 ? 88  ARG B O   1 
ATOM   713  C CB  A ARG A 1 82  ? -27.242 -21.142 -31.727 0.25 14.55 ? 88  ARG B CB  1 
ATOM   714  C CB  B ARG A 1 82  ? -27.057 -21.290 -31.581 0.25 10.40 ? 88  ARG B CB  1 
ATOM   715  C CG  A ARG A 1 82  ? -26.719 -22.276 -30.870 0.25 16.25 ? 88  ARG B CG  1 
ATOM   716  C CG  B ARG A 1 82  ? -26.374 -22.025 -32.725 0.25 10.01 ? 88  ARG B CG  1 
ATOM   717  C CD  A ARG A 1 82  ? -27.214 -23.615 -31.365 0.25 18.03 ? 88  ARG B CD  1 
ATOM   718  C CD  B ARG A 1 82  ? -26.985 -23.381 -33.001 0.25 9.77  ? 88  ARG B CD  1 
ATOM   719  N NE  A ARG A 1 82  ? -26.947 -24.643 -30.374 0.25 17.91 ? 88  ARG B NE  1 
ATOM   720  N NE  B ARG A 1 82  ? -26.837 -24.216 -31.833 0.25 9.80  ? 88  ARG B NE  1 
ATOM   721  C CZ  A ARG A 1 82  ? -27.819 -25.574 -30.032 0.25 18.73 ? 88  ARG B CZ  1 
ATOM   722  C CZ  B ARG A 1 82  ? -27.845 -24.788 -31.165 0.25 9.59  ? 88  ARG B CZ  1 
ATOM   723  N NH1 A ARG A 1 82  ? -29.012 -25.590 -30.594 0.25 18.63 ? 88  ARG B NH1 1 
ATOM   724  N NH1 B ARG A 1 82  ? -29.074 -24.695 -31.611 0.25 10.52 ? 88  ARG B NH1 1 
ATOM   725  N NH2 A ARG A 1 82  ? -27.494 -26.485 -29.139 0.25 21.23 ? 88  ARG B NH2 1 
ATOM   726  N NH2 B ARG A 1 82  ? -27.611 -25.471 -30.056 0.25 9.57  ? 88  ARG B NH2 1 
ATOM   727  N N   . ASP A 1 83  ? -26.250 -18.601 -33.440 1.00 12.80 ? 89  ASP B N   1 
ATOM   728  C CA  . ASP A 1 83  ? -26.641 -17.671 -34.527 1.00 13.85 ? 89  ASP B CA  1 
ATOM   729  C C   . ASP A 1 83  ? -27.960 -18.146 -35.137 1.00 15.87 ? 89  ASP B C   1 
ATOM   730  O O   . ASP A 1 83  ? -28.704 -17.284 -35.623 1.00 17.00 ? 89  ASP B O   1 
ATOM   731  C CB  . ASP A 1 83  ? -25.517 -17.571 -35.554 1.00 15.67 ? 89  ASP B CB  1 
ATOM   732  C CG  . ASP A 1 83  ? -25.146 -18.852 -36.275 1.00 17.00 ? 89  ASP B CG  1 
ATOM   733  O OD1 . ASP A 1 83  ? -25.618 -19.970 -35.892 1.00 19.15 ? 89  ASP B OD1 1 
ATOM   734  O OD2 . ASP A 1 83  ? -24.364 -18.715 -37.254 1.00 20.30 ? 89  ASP B OD2 1 
ATOM   735  N N   . SER A 1 84  ? -28.288 -19.443 -35.108 1.00 13.57 ? 90  SER B N   1 
ATOM   736  C CA  . SER A 1 84  ? -29.467 -19.987 -35.826 1.00 15.18 ? 90  SER B CA  1 
ATOM   737  C C   . SER A 1 84  ? -30.706 -20.164 -34.932 1.00 13.44 ? 90  SER B C   1 
ATOM   738  O O   . SER A 1 84  ? -31.602 -20.906 -35.321 1.00 14.98 ? 90  SER B O   1 
ATOM   739  C CB  . SER A 1 84  ? -29.086 -21.263 -36.504 1.00 17.27 ? 90  SER B CB  1 
ATOM   740  O OG  . SER A 1 84  ? -28.568 -22.169 -35.572 1.00 16.45 ? 90  SER B OG  1 
ATOM   741  N N   . VAL A 1 85  ? -30.759 -19.528 -33.766 1.00 13.03 ? 91  VAL B N   1 
ATOM   742  C CA  . VAL A 1 85  ? -31.988 -19.636 -32.935 1.00 13.89 ? 91  VAL B CA  1 
ATOM   743  C C   . VAL A 1 85  ? -33.203 -19.141 -33.733 1.00 13.39 ? 91  VAL B C   1 
ATOM   744  O O   . VAL A 1 85  ? -33.096 -18.220 -34.584 1.00 14.51 ? 91  VAL B O   1 
ATOM   745  C CB  . VAL A 1 85  ? -31.884 -18.902 -31.581 1.00 12.64 ? 91  VAL B CB  1 
ATOM   746  C CG1 . VAL A 1 85  ? -30.876 -19.591 -30.693 1.00 12.55 ? 91  VAL B CG1 1 
ATOM   747  C CG2 . VAL A 1 85  ? -31.598 -17.423 -31.696 1.00 12.22 ? 91  VAL B CG2 1 
ATOM   748  N N   . GLN A 1 86  ? -34.332 -19.753 -33.401 1.00 14.53 ? 92  GLN B N   1 
ATOM   749  C CA  . GLN A 1 86  ? -35.686 -19.334 -33.886 1.00 16.16 ? 92  GLN B CA  1 
ATOM   750  C C   . GLN A 1 86  ? -35.881 -17.840 -33.590 1.00 14.92 ? 92  GLN B C   1 
ATOM   751  O O   . GLN A 1 86  ? -35.572 -17.391 -32.499 1.00 14.65 ? 92  GLN B O   1 
ATOM   752  C CB  . GLN A 1 86  ? -36.709 -20.235 -33.182 1.00 18.54 ? 92  GLN B CB  1 
ATOM   753  C CG  . GLN A 1 86  ? -38.182 -19.950 -33.457 1.00 20.73 ? 92  GLN B CG  1 
ATOM   754  C CD  . GLN A 1 86  ? -39.090 -20.788 -32.567 1.00 23.14 ? 92  GLN B CD  1 
ATOM   755  O OE1 . GLN A 1 86  ? -38.679 -21.777 -31.931 1.00 25.08 ? 92  GLN B OE1 1 
ATOM   756  N NE2 . GLN A 1 86  ? -40.360 -20.393 -32.467 1.00 24.69 ? 92  GLN B NE2 1 
ATOM   757  N N   . ARG A 1 87  ? -36.504 -17.118 -34.511 1.00 13.73 ? 93  ARG B N   1 
ATOM   758  C CA  . ARG A 1 87  ? -36.760 -15.653 -34.398 1.00 13.25 ? 93  ARG B CA  1 
ATOM   759  C C   . ARG A 1 87  ? -38.269 -15.419 -34.263 1.00 14.31 ? 93  ARG B C   1 
ATOM   760  O O   . ARG A 1 87  ? -38.608 -14.431 -33.647 1.00 14.97 ? 93  ARG B O   1 
ATOM   761  C CB  . ARG A 1 87  ? -36.207 -14.863 -35.579 1.00 13.55 ? 93  ARG B CB  1 
ATOM   762  C CG  . ARG A 1 87  ? -34.738 -15.103 -35.886 1.00 13.14 ? 93  ARG B CG  1 
ATOM   763  C CD  . ARG A 1 87  ? -33.844 -14.847 -34.679 1.00 14.17 ? 93  ARG B CD  1 
ATOM   764  N NE  . ARG A 1 87  ? -32.467 -15.289 -34.992 1.00 15.93 ? 93  ARG B NE  1 
ATOM   765  C CZ  . ARG A 1 87  ? -31.556 -14.571 -35.629 1.00 15.20 ? 93  ARG B CZ  1 
ATOM   766  N NH1 . ARG A 1 87  ? -31.827 -13.342 -36.014 1.00 16.56 ? 93  ARG B NH1 1 
ATOM   767  N NH2 . ARG A 1 87  ? -30.384 -15.111 -35.931 1.00 16.47 ? 93  ARG B NH2 1 
ATOM   768  N N   . LYS A 1 88  ? -39.114 -16.251 -34.871 1.00 14.06 ? 94  LYS B N   1 
ATOM   769  C CA  . LYS A 1 88  ? -40.574 -16.002 -34.981 1.00 14.81 ? 94  LYS B CA  1 
ATOM   770  C C   . LYS A 1 88  ? -41.365 -16.937 -34.088 1.00 17.31 ? 94  LYS B C   1 
ATOM   771  O O   . LYS A 1 88  ? -40.980 -18.114 -33.949 1.00 18.49 ? 94  LYS B O   1 
ATOM   772  C CB  . LYS A 1 88  ? -41.004 -16.170 -36.439 1.00 15.26 ? 94  LYS B CB  1 
ATOM   773  C CG  . LYS A 1 88  ? -40.190 -15.400 -37.445 1.00 16.34 ? 94  LYS B CG  1 
ATOM   774  C CD  . LYS A 1 88  ? -40.157 -13.901 -37.233 1.00 16.78 ? 94  LYS B CD  1 
ATOM   775  C CE  . LYS A 1 88  ? -39.394 -13.207 -38.318 1.00 17.60 ? 94  LYS B CE  1 
ATOM   776  N NZ  . LYS A 1 88  ? -39.344 -11.745 -38.096 1.00 19.23 ? 94  LYS B NZ  1 
ATOM   777  N N   . GLY A 1 89  ? -42.437 -16.434 -33.509 1.00 17.22 ? 95  GLY B N   1 
ATOM   778  C CA  . GLY A 1 89  ? -43.304 -17.245 -32.651 1.00 18.10 ? 95  GLY B CA  1 
ATOM   779  C C   . GLY A 1 89  ? -42.798 -17.399 -31.236 1.00 18.88 ? 95  GLY B C   1 
ATOM   780  O O   . GLY A 1 89  ? -41.835 -16.648 -30.826 1.00 17.79 ? 95  GLY B O   1 
ATOM   781  N N   . GLN A 1 90  ? -43.448 -18.296 -30.497 1.00 18.93 ? 96  GLN B N   1 
ATOM   782  C CA  . GLN A 1 90  ? -43.212 -18.517 -29.060 1.00 20.87 ? 96  GLN B CA  1 
ATOM   783  C C   . GLN A 1 90  ? -42.136 -19.580 -28.882 1.00 19.41 ? 96  GLN B C   1 
ATOM   784  O O   . GLN A 1 90  ? -42.051 -20.510 -29.699 1.00 20.10 ? 96  GLN B O   1 
ATOM   785  C CB  . GLN A 1 90  ? -44.508 -18.945 -28.372 1.00 24.50 ? 96  GLN B CB  1 
ATOM   786  C CG  . GLN A 1 90  ? -45.535 -17.837 -28.370 1.00 32.87 ? 96  GLN B CG  1 
ATOM   787  C CD  . GLN A 1 90  ? -46.880 -18.369 -27.967 1.00 43.04 ? 96  GLN B CD  1 
ATOM   788  O OE1 . GLN A 1 90  ? -47.156 -18.540 -26.778 1.00 51.72 ? 96  GLN B OE1 1 
ATOM   789  N NE2 . GLN A 1 90  ? -47.702 -18.656 -28.971 1.00 46.62 ? 96  GLN B NE2 1 
ATOM   790  N N   . PHE A 1 91  ? -41.262 -19.371 -27.908 1.00 17.31 ? 97  PHE B N   1 
ATOM   791  C CA  . PHE A 1 91  ? -40.205 -20.345 -27.563 1.00 16.92 ? 97  PHE B CA  1 
ATOM   792  C C   . PHE A 1 91  ? -39.709 -20.048 -26.158 1.00 16.96 ? 97  PHE B C   1 
ATOM   793  O O   . PHE A 1 91  ? -39.869 -18.934 -25.645 1.00 18.53 ? 97  PHE B O   1 
ATOM   794  C CB  . PHE A 1 91  ? -39.055 -20.274 -28.571 1.00 16.68 ? 97  PHE B CB  1 
ATOM   795  C CG  . PHE A 1 91  ? -38.428 -18.913 -28.698 1.00 16.17 ? 97  PHE B CG  1 
ATOM   796  C CD1 . PHE A 1 91  ? -37.427 -18.523 -27.825 1.00 17.28 ? 97  PHE B CD1 1 
ATOM   797  C CD2 . PHE A 1 91  ? -38.790 -18.048 -29.709 1.00 17.93 ? 97  PHE B CD2 1 
ATOM   798  C CE1 . PHE A 1 91  ? -36.805 -17.297 -27.973 1.00 16.25 ? 97  PHE B CE1 1 
ATOM   799  C CE2 . PHE A 1 91  ? -38.154 -16.829 -29.861 1.00 16.71 ? 97  PHE B CE2 1 
ATOM   800  C CZ  . PHE A 1 91  ? -37.157 -16.464 -28.994 1.00 16.80 ? 97  PHE B CZ  1 
ATOM   801  N N   A SER A 1 92  ? -39.131 -21.061 -25.516 0.25 17.83 ? 98  SER B N   1 
ATOM   802  N N   B SER A 1 92  ? -39.127 -21.074 -25.535 0.25 16.94 ? 98  SER B N   1 
ATOM   803  C CA  A SER A 1 92  ? -38.489 -20.944 -24.184 0.25 17.91 ? 98  SER B CA  1 
ATOM   804  C CA  B SER A 1 92  ? -38.473 -21.010 -24.205 0.25 16.53 ? 98  SER B CA  1 
ATOM   805  C C   A SER A 1 92  ? -36.985 -20.743 -24.360 0.25 16.39 ? 98  SER B C   1 
ATOM   806  C C   B SER A 1 92  ? -36.980 -20.725 -24.387 0.25 15.66 ? 98  SER B C   1 
ATOM   807  O O   A SER A 1 92  ? -36.402 -21.312 -25.316 0.25 16.34 ? 98  SER B O   1 
ATOM   808  O O   B SER A 1 92  ? -36.396 -21.198 -25.400 0.25 15.78 ? 98  SER B O   1 
ATOM   809  C CB  A SER A 1 92  ? -38.752 -22.153 -23.350 0.25 20.76 ? 98  SER B CB  1 
ATOM   810  C CB  B SER A 1 92  ? -38.680 -22.291 -23.441 0.25 17.98 ? 98  SER B CB  1 
ATOM   811  O OG  A SER A 1 92  ? -38.795 -23.300 -24.177 0.25 23.53 ? 98  SER B OG  1 
ATOM   812  O OG  B SER A 1 92  ? -40.040 -22.413 -23.032 0.25 18.62 ? 98  SER B OG  1 
ATOM   813  N N   . LEU A 1 93  ? -36.386 -19.986 -23.446 1.00 15.04 ? 99  LEU B N   1 
ATOM   814  C CA  . LEU A 1 93  ? -34.926 -19.810 -23.401 1.00 15.08 ? 99  LEU B CA  1 
ATOM   815  C C   . LEU A 1 93  ? -34.325 -21.027 -22.695 1.00 14.96 ? 99  LEU B C   1 
ATOM   816  O O   . LEU A 1 93  ? -34.455 -21.187 -21.493 1.00 16.45 ? 99  LEU B O   1 
ATOM   817  C CB  . LEU A 1 93  ? -34.578 -18.523 -22.661 1.00 15.67 ? 99  LEU B CB  1 
ATOM   818  C CG  . LEU A 1 93  ? -35.071 -17.238 -23.308 1.00 17.47 ? 99  LEU B CG  1 
ATOM   819  C CD1 . LEU A 1 93  ? -34.699 -16.045 -22.432 1.00 19.10 ? 99  LEU B CD1 1 
ATOM   820  C CD2 . LEU A 1 93  ? -34.553 -17.049 -24.723 1.00 17.94 ? 99  LEU B CD2 1 
ATOM   821  N N   . SER A 1 94  ? -33.661 -21.927 -23.425 1.00 13.64 ? 100 SER B N   1 
ATOM   822  C CA  . SER A 1 94  ? -33.076 -23.170 -22.890 1.00 13.72 ? 100 SER B CA  1 
ATOM   823  C C   . SER A 1 94  ? -31.901 -23.546 -23.761 1.00 12.32 ? 100 SER B C   1 
ATOM   824  O O   . SER A 1 94  ? -31.886 -23.216 -24.948 1.00 12.16 ? 100 SER B O   1 
ATOM   825  C CB  . SER A 1 94  ? -34.042 -24.345 -22.874 1.00 15.26 ? 100 SER B CB  1 
ATOM   826  O OG  . SER A 1 94  ? -34.399 -24.686 -24.205 1.00 18.61 ? 100 SER B OG  1 
ATOM   827  N N   . PRO A 1 95  ? -30.940 -24.294 -23.244 1.00 12.22 ? 101 PRO B N   1 
ATOM   828  C CA  . PRO A 1 95  ? -29.858 -24.806 -24.084 1.00 13.35 ? 101 PRO B CA  1 
ATOM   829  C C   . PRO A 1 95  ? -30.356 -25.695 -25.237 1.00 13.57 ? 101 PRO B C   1 
ATOM   830  O O   . PRO A 1 95  ? -29.813 -25.596 -26.354 1.00 13.50 ? 101 PRO B O   1 
ATOM   831  C CB  . PRO A 1 95  ? -28.983 -25.563 -23.073 1.00 14.15 ? 101 PRO B CB  1 
ATOM   832  C CG  . PRO A 1 95  ? -29.221 -24.830 -21.754 1.00 14.17 ? 101 PRO B CG  1 
ATOM   833  C CD  . PRO A 1 95  ? -30.709 -24.562 -21.816 1.00 13.73 ? 101 PRO B CD  1 
ATOM   834  N N   . GLU A 1 96  ? -31.439 -26.449 -25.019 1.00 14.92 ? 102 GLU B N   1 
ATOM   835  C CA  . GLU A 1 96  ? -32.049 -27.276 -26.105 1.00 17.30 ? 102 GLU B CA  1 
ATOM   836  C C   . GLU A 1 96  ? -32.445 -26.386 -27.294 1.00 16.95 ? 102 GLU B C   1 
ATOM   837  O O   . GLU A 1 96  ? -32.380 -26.817 -28.453 1.00 17.72 ? 102 GLU B O   1 
ATOM   838  C CB  . GLU A 1 96  ? -33.245 -28.059 -25.570 1.00 21.35 ? 102 GLU B CB  1 
ATOM   839  C CG  . GLU A 1 96  ? -32.875 -28.949 -24.399 1.00 30.89 ? 102 GLU B CG  1 
ATOM   840  C CD  . GLU A 1 96  ? -33.237 -28.419 -23.007 1.00 38.31 ? 102 GLU B CD  1 
ATOM   841  O OE1 . GLU A 1 96  ? -32.443 -27.569 -22.412 1.00 25.53 ? 102 GLU B OE1 1 
ATOM   842  O OE2 . GLU A 1 96  ? -34.322 -28.883 -22.493 1.00 42.92 ? 102 GLU B OE2 1 
ATOM   843  N N   . ASN A 1 97  ? -32.909 -25.155 -27.032 1.00 15.19 ? 103 ASN B N   1 
ATOM   844  C CA  . ASN A 1 97  ? -33.295 -24.200 -28.093 1.00 14.10 ? 103 ASN B CA  1 
ATOM   845  C C   . ASN A 1 97  ? -32.137 -23.290 -28.493 1.00 13.66 ? 103 ASN B C   1 
ATOM   846  O O   . ASN A 1 97  ? -32.347 -22.452 -29.375 1.00 15.05 ? 103 ASN B O   1 
ATOM   847  C CB  . ASN A 1 97  ? -34.508 -23.351 -27.685 1.00 15.37 ? 103 ASN B CB  1 
ATOM   848  C CG  . ASN A 1 97  ? -35.794 -24.136 -27.635 1.00 17.16 ? 103 ASN B CG  1 
ATOM   849  O OD1 . ASN A 1 97  ? -35.928 -25.187 -28.284 1.00 19.02 ? 103 ASN B OD1 1 
ATOM   850  N ND2 . ASN A 1 97  ? -36.738 -23.669 -26.823 1.00 19.64 ? 103 ASN B ND2 1 
ATOM   851  N N   . GLY A 1 98  ? -30.918 -23.488 -27.995 1.00 12.27 ? 104 GLY B N   1 
ATOM   852  C CA  . GLY A 1 98  ? -29.755 -22.688 -28.395 1.00 11.59 ? 104 GLY B CA  1 
ATOM   853  C C   . GLY A 1 98  ? -29.512 -21.425 -27.605 1.00 11.12 ? 104 GLY B C   1 
ATOM   854  O O   . GLY A 1 98  ? -28.828 -20.547 -28.121 1.00 11.29 ? 104 GLY B O   1 
ATOM   855  N N   . PHE A 1 99  ? -29.959 -21.375 -26.343 1.00 11.44 ? 105 PHE B N   1 
ATOM   856  C CA  . PHE A 1 99  ? -29.755 -20.180 -25.481 1.00 10.91 ? 105 PHE B CA  1 
ATOM   857  C C   . PHE A 1 99  ? -29.048 -20.553 -24.173 1.00 10.67 ? 105 PHE B C   1 
ATOM   858  O O   . PHE A 1 99  ? -29.506 -21.536 -23.528 1.00 11.82 ? 105 PHE B O   1 
ATOM   859  C CB  . PHE A 1 99  ? -31.091 -19.506 -25.119 1.00 11.46 ? 105 PHE B CB  1 
ATOM   860  C CG  . PHE A 1 99  ? -31.882 -19.011 -26.301 1.00 10.90 ? 105 PHE B CG  1 
ATOM   861  C CD1 . PHE A 1 99  ? -32.793 -19.838 -26.930 1.00 11.80 ? 105 PHE B CD1 1 
ATOM   862  C CD2 . PHE A 1 99  ? -31.733 -17.715 -26.755 1.00 10.46 ? 105 PHE B CD2 1 
ATOM   863  C CE1 . PHE A 1 99  ? -33.513 -19.384 -28.024 1.00 12.96 ? 105 PHE B CE1 1 
ATOM   864  C CE2 . PHE A 1 99  ? -32.480 -17.249 -27.826 1.00 12.39 ? 105 PHE B CE2 1 
ATOM   865  C CZ  . PHE A 1 99  ? -33.369 -18.087 -28.443 1.00 11.61 ? 105 PHE B CZ  1 
ATOM   866  N N   . TRP A 1 100 ? -28.115 -19.718 -23.717 1.00 9.76  ? 106 TRP B N   1 
ATOM   867  C CA  . TRP A 1 100 ? -27.426 -19.822 -22.403 1.00 10.17 ? 106 TRP B CA  1 
ATOM   868  C C   . TRP A 1 100 ? -27.585 -18.463 -21.739 1.00 8.97  ? 106 TRP B C   1 
ATOM   869  O O   . TRP A 1 100 ? -26.833 -17.507 -22.056 1.00 9.47  ? 106 TRP B O   1 
ATOM   870  C CB  . TRP A 1 100 ? -25.964 -20.271 -22.586 1.00 9.85  ? 106 TRP B CB  1 
ATOM   871  C CG  . TRP A 1 100 ? -25.893 -21.648 -23.195 1.00 10.57 ? 106 TRP B CG  1 
ATOM   872  C CD1 . TRP A 1 100 ? -25.807 -22.844 -22.535 1.00 12.36 ? 106 TRP B CD1 1 
ATOM   873  C CD2 . TRP A 1 100 ? -25.922 -21.967 -24.606 1.00 10.86 ? 106 TRP B CD2 1 
ATOM   874  N NE1 . TRP A 1 100 ? -25.834 -23.886 -23.442 1.00 12.10 ? 106 TRP B NE1 1 
ATOM   875  C CE2 . TRP A 1 100 ? -25.884 -23.381 -24.710 1.00 12.06 ? 106 TRP B CE2 1 
ATOM   876  C CE3 . TRP A 1 100 ? -25.958 -21.194 -25.775 1.00 11.15 ? 106 TRP B CE3 1 
ATOM   877  C CZ2 . TRP A 1 100 ? -25.937 -24.027 -25.957 1.00 12.98 ? 106 TRP B CZ2 1 
ATOM   878  C CZ3 . TRP A 1 100 ? -25.988 -21.843 -26.996 1.00 12.31 ? 106 TRP B CZ3 1 
ATOM   879  C CH2 . TRP A 1 100 ? -26.026 -23.231 -27.067 1.00 12.81 ? 106 TRP B CH2 1 
ATOM   880  N N   . THR A 1 101 ? -28.588 -18.375 -20.845 1.00 10.13 ? 107 THR B N   1 
ATOM   881  C CA  . THR A 1 101 ? -29.099 -17.068 -20.381 1.00 9.94  ? 107 THR B CA  1 
ATOM   882  C C   . THR A 1 101 ? -29.435 -17.134 -18.886 1.00 10.20 ? 107 THR B C   1 
ATOM   883  O O   . THR A 1 101 ? -29.703 -18.211 -18.351 1.00 10.05 ? 107 THR B O   1 
ATOM   884  C CB  . THR A 1 101 ? -30.350 -16.612 -21.143 1.00 10.61 ? 107 THR B CB  1 
ATOM   885  O OG1 . THR A 1 101 ? -31.397 -17.540 -20.933 1.00 10.92 ? 107 THR B OG1 1 
ATOM   886  C CG2 . THR A 1 101 ? -30.051 -16.441 -22.621 1.00 11.21 ? 107 THR B CG2 1 
ATOM   887  N N   . ILE A 1 102 ? -29.483 -15.953 -18.279 1.00 10.16 ? 108 ILE B N   1 
ATOM   888  C CA  . ILE A 1 102 ? -30.135 -15.727 -16.957 1.00 10.30 ? 108 ILE B CA  1 
ATOM   889  C C   . ILE A 1 102 ? -31.151 -14.599 -17.150 1.00 10.54 ? 108 ILE B C   1 
ATOM   890  O O   . ILE A 1 102 ? -31.068 -13.825 -18.120 1.00 10.31 ? 108 ILE B O   1 
ATOM   891  C CB  . ILE A 1 102 ? -29.119 -15.423 -15.826 1.00 11.02 ? 108 ILE B CB  1 
ATOM   892  C CG1 . ILE A 1 102 ? -28.434 -14.073 -16.010 1.00 11.85 ? 108 ILE B CG1 1 
ATOM   893  C CG2 . ILE A 1 102 ? -28.086 -16.539 -15.708 1.00 11.82 ? 108 ILE B CG2 1 
ATOM   894  C CD1 . ILE A 1 102 ? -27.626 -13.588 -14.809 1.00 12.38 ? 108 ILE B CD1 1 
ATOM   895  N N   . TRP A 1 103 ? -31.994 -14.445 -16.150 1.00 10.58 ? 109 TRP B N   1 
ATOM   896  C CA  . TRP A 1 103 ? -33.000 -13.380 -16.191 1.00 10.85 ? 109 TRP B CA  1 
ATOM   897  C C   . TRP A 1 103 ? -33.422 -12.932 -14.815 1.00 10.96 ? 109 TRP B C   1 
ATOM   898  O O   . TRP A 1 103 ? -33.239 -13.623 -13.803 1.00 11.52 ? 109 TRP B O   1 
ATOM   899  C CB  . TRP A 1 103 ? -34.193 -13.787 -16.979 1.00 13.81 ? 109 TRP B CB  1 
ATOM   900  C CG  . TRP A 1 103 ? -34.971 -14.933 -16.451 1.00 15.52 ? 109 TRP B CG  1 
ATOM   901  C CD1 . TRP A 1 103 ? -35.845 -14.929 -15.402 1.00 16.44 ? 109 TRP B CD1 1 
ATOM   902  C CD2 . TRP A 1 103 ? -35.090 -16.194 -17.095 1.00 17.53 ? 109 TRP B CD2 1 
ATOM   903  N NE1 . TRP A 1 103 ? -36.508 -16.117 -15.348 1.00 20.01 ? 109 TRP B NE1 1 
ATOM   904  C CE2 . TRP A 1 103 ? -36.070 -16.912 -16.372 1.00 17.86 ? 109 TRP B CE2 1 
ATOM   905  C CE3 . TRP A 1 103 ? -34.504 -16.755 -18.230 1.00 18.64 ? 109 TRP B CE3 1 
ATOM   906  C CZ2 . TRP A 1 103 ? -36.425 -18.210 -16.715 1.00 20.34 ? 109 TRP B CZ2 1 
ATOM   907  C CZ3 . TRP A 1 103 ? -34.898 -18.016 -18.589 1.00 20.45 ? 109 TRP B CZ3 1 
ATOM   908  C CH2 . TRP A 1 103 ? -35.843 -18.717 -17.859 1.00 19.28 ? 109 TRP B CH2 1 
ATOM   909  N N   . LEU A 1 104 ? -34.042 -11.734 -14.825 1.00 11.30 ? 110 LEU B N   1 
ATOM   910  C CA  . LEU A 1 104 ? -34.803 -11.189 -13.694 1.00 11.47 ? 110 LEU B CA  1 
ATOM   911  C C   . LEU A 1 104 ? -36.267 -11.152 -14.116 1.00 11.29 ? 110 LEU B C   1 
ATOM   912  O O   . LEU A 1 104 ? -36.566 -10.664 -15.207 1.00 11.33 ? 110 LEU B O   1 
ATOM   913  C CB  . LEU A 1 104 ? -34.291 -9.790  -13.378 1.00 11.88 ? 110 LEU B CB  1 
ATOM   914  C CG  . LEU A 1 104 ? -35.133 -8.978  -12.381 1.00 11.78 ? 110 LEU B CG  1 
ATOM   915  C CD1 . LEU A 1 104 ? -35.180 -9.624  -11.012 1.00 12.44 ? 110 LEU B CD1 1 
ATOM   916  C CD2 . LEU A 1 104 ? -34.661 -7.544  -12.282 1.00 13.07 ? 110 LEU B CD2 1 
ATOM   917  N N   . TRP A 1 105 ? -37.145 -11.601 -13.217 1.00 11.88 ? 111 TRP B N   1 
ATOM   918  C CA  . TRP A 1 105 ? -38.598 -11.579 -13.454 1.00 13.71 ? 111 TRP B CA  1 
ATOM   919  C C   . TRP A 1 105 ? -39.289 -11.616 -12.106 1.00 15.09 ? 111 TRP B C   1 
ATOM   920  O O   . TRP A 1 105 ? -38.967 -12.521 -11.303 1.00 14.79 ? 111 TRP B O   1 
ATOM   921  C CB  . TRP A 1 105 ? -38.934 -12.811 -14.292 1.00 18.41 ? 111 TRP B CB  1 
ATOM   922  C CG  . TRP A 1 105 ? -40.373 -13.085 -14.410 1.00 22.53 ? 111 TRP B CG  1 
ATOM   923  C CD1 . TRP A 1 105 ? -41.135 -14.090 -13.862 1.00 21.80 ? 111 TRP B CD1 1 
ATOM   924  C CD2 . TRP A 1 105 ? -41.229 -12.264 -15.182 1.00 23.80 ? 111 TRP B CD2 1 
ATOM   925  N NE1 . TRP A 1 105 ? -42.419 -13.940 -14.271 1.00 24.28 ? 111 TRP B NE1 1 
ATOM   926  C CE2 . TRP A 1 105 ? -42.499 -12.855 -15.107 1.00 22.51 ? 111 TRP B CE2 1 
ATOM   927  C CE3 . TRP A 1 105 ? -41.020 -11.139 -15.979 1.00 22.81 ? 111 TRP B CE3 1 
ATOM   928  C CZ2 . TRP A 1 105 ? -43.592 -12.305 -15.748 1.00 28.24 ? 111 TRP B CZ2 1 
ATOM   929  C CZ3 . TRP A 1 105 ? -42.110 -10.578 -16.592 1.00 27.72 ? 111 TRP B CZ3 1 
ATOM   930  C CH2 . TRP A 1 105 ? -43.373 -11.151 -16.471 1.00 28.53 ? 111 TRP B CH2 1 
ATOM   931  N N   . GLN A 1 106 ? -40.176 -10.639 -11.839 1.00 14.54 ? 112 GLN B N   1 
ATOM   932  C CA  . GLN A 1 106 ? -40.991 -10.654 -10.593 1.00 14.38 ? 112 GLN B CA  1 
ATOM   933  C C   . GLN A 1 106 ? -40.111 -10.835 -9.374  1.00 15.44 ? 112 GLN B C   1 
ATOM   934  O O   . GLN A 1 106 ? -40.451 -11.705 -8.493  1.00 16.80 ? 112 GLN B O   1 
ATOM   935  C CB  . GLN A 1 106 ? -42.102 -11.699 -10.735 1.00 16.49 ? 112 GLN B CB  1 
ATOM   936  C CG  . GLN A 1 106 ? -43.043 -11.382 -11.887 1.00 17.36 ? 112 GLN B CG  1 
ATOM   937  C CD  . GLN A 1 106 ? -44.303 -12.214 -11.942 1.00 19.31 ? 112 GLN B CD  1 
ATOM   938  O OE1 . GLN A 1 106 ? -45.266 -11.861 -12.652 1.00 22.73 ? 112 GLN B OE1 1 
ATOM   939  N NE2 . GLN A 1 106 ? -44.329 -13.272 -11.164 1.00 17.59 ? 112 GLN B NE2 1 
ATOM   940  N N   . ASP A 1 107 ? -39.088 -10.009 -9.257  1.00 16.11 ? 113 ASP B N   1 
ATOM   941  C CA  . ASP A 1 107 ? -38.238 -9.921  -8.054  1.00 20.42 ? 113 ASP B CA  1 
ATOM   942  C C   . ASP A 1 107 ? -37.427 -11.207 -7.812  1.00 20.89 ? 113 ASP B C   1 
ATOM   943  O O   . ASP A 1 107 ? -36.833 -11.309 -6.716  1.00 27.22 ? 113 ASP B O   1 
ATOM   944  C CB  . ASP A 1 107 ? -39.160 -9.682  -6.848  1.00 25.17 ? 113 ASP B CB  1 
ATOM   945  C CG  . ASP A 1 107 ? -38.577 -8.816  -5.767  1.00 36.10 ? 113 ASP B CG  1 
ATOM   946  O OD1 . ASP A 1 107 ? -37.580 -8.117  -6.041  1.00 41.00 ? 113 ASP B OD1 1 
ATOM   947  O OD2 . ASP A 1 107 ? -39.177 -8.811  -4.656  1.00 51.51 ? 113 ASP B OD2 1 
ATOM   948  N N   . SER A 1 108 ? -37.340 -12.131 -8.764  1.00 16.50 ? 114 SER B N   1 
ATOM   949  C CA  . SER A 1 108 ? -36.421 -13.295 -8.617  1.00 18.39 ? 114 SER B CA  1 
ATOM   950  C C   . SER A 1 108 ? -35.506 -13.416 -9.835  1.00 15.66 ? 114 SER B C   1 
ATOM   951  O O   . SER A 1 108 ? -35.887 -13.038 -10.984 1.00 14.53 ? 114 SER B O   1 
ATOM   952  C CB  . SER A 1 108 ? -37.210 -14.539 -8.266  1.00 22.73 ? 114 SER B CB  1 
ATOM   953  O OG  . SER A 1 108 ? -37.829 -15.089 -9.391  1.00 32.33 ? 114 SER B OG  1 
ATOM   954  N N   . TYR A 1 109 ? -34.331 -13.964 -9.603  1.00 13.63 ? 115 TYR B N   1 
ATOM   955  C CA  . TYR A 1 109 ? -33.334 -14.233 -10.664 1.00 12.87 ? 115 TYR B CA  1 
ATOM   956  C C   . TYR A 1 109 ? -33.302 -15.735 -10.915 1.00 12.40 ? 115 TYR B C   1 
ATOM   957  O O   . TYR A 1 109 ? -33.300 -16.523 -9.965  1.00 13.29 ? 115 TYR B O   1 
ATOM   958  C CB  . TYR A 1 109 ? -31.975 -13.696 -10.247 1.00 12.10 ? 115 TYR B CB  1 
ATOM   959  C CG  . TYR A 1 109 ? -31.926 -12.200 -10.012 1.00 12.92 ? 115 TYR B CG  1 
ATOM   960  C CD1 . TYR A 1 109 ? -32.164 -11.673 -8.765  1.00 13.23 ? 115 TYR B CD1 1 
ATOM   961  C CD2 . TYR A 1 109 ? -31.532 -11.328 -11.000 1.00 12.13 ? 115 TYR B CD2 1 
ATOM   962  C CE1 . TYR A 1 109 ? -32.072 -10.309 -8.525  1.00 13.97 ? 115 TYR B CE1 1 
ATOM   963  C CE2 . TYR A 1 109 ? -31.484 -9.956  -10.794 1.00 12.50 ? 115 TYR B CE2 1 
ATOM   964  C CZ  . TYR A 1 109 ? -31.744 -9.443  -9.541  1.00 13.82 ? 115 TYR B CZ  1 
ATOM   965  O OH  . TYR A 1 109 ? -31.694 -8.091  -9.298  1.00 15.05 ? 115 TYR B OH  1 
ATOM   966  N N   A GLU A 1 110 ? -33.287 -16.143 -12.186 0.25 12.64 ? 116 GLU B N   1 
ATOM   967  N N   B GLU A 1 110 ? -33.310 -16.126 -12.193 0.25 12.60 ? 116 GLU B N   1 
ATOM   968  C CA  A GLU A 1 110 ? -33.264 -17.585 -12.559 0.25 12.93 ? 116 GLU B CA  1 
ATOM   969  C CA  B GLU A 1 110 ? -33.295 -17.552 -12.623 0.25 12.91 ? 116 GLU B CA  1 
ATOM   970  C C   A GLU A 1 110 ? -32.343 -17.812 -13.757 0.25 11.72 ? 116 GLU B C   1 
ATOM   971  C C   B GLU A 1 110 ? -32.227 -17.752 -13.706 0.25 11.57 ? 116 GLU B C   1 
ATOM   972  O O   A GLU A 1 110 ? -32.286 -16.958 -14.646 0.25 11.61 ? 116 GLU B O   1 
ATOM   973  O O   B GLU A 1 110 ? -31.898 -16.793 -14.439 0.25 10.96 ? 116 GLU B O   1 
ATOM   974  C CB  A GLU A 1 110 ? -34.670 -18.076 -12.885 0.25 14.16 ? 116 GLU B CB  1 
ATOM   975  C CB  B GLU A 1 110 ? -34.667 -17.972 -13.150 0.25 14.11 ? 116 GLU B CB  1 
ATOM   976  C CG  A GLU A 1 110 ? -35.615 -18.002 -11.695 0.25 15.64 ? 116 GLU B CG  1 
ATOM   977  C CG  B GLU A 1 110 ? -35.800 -17.797 -12.144 0.25 16.16 ? 116 GLU B CG  1 
ATOM   978  C CD  A GLU A 1 110 ? -37.044 -18.355 -12.047 0.25 17.62 ? 116 GLU B CD  1 
ATOM   979  C CD  B GLU A 1 110 ? -35.980 -18.952 -11.169 0.25 17.59 ? 116 GLU B CD  1 
ATOM   980  O OE1 A GLU A 1 110 ? -37.468 -17.989 -13.152 0.25 19.33 ? 116 GLU B OE1 1 
ATOM   981  O OE1 B GLU A 1 110 ? -35.542 -20.078 -11.478 0.25 20.65 ? 116 GLU B OE1 1 
ATOM   982  O OE2 A GLU A 1 110 ? -37.724 -18.999 -11.217 0.25 17.49 ? 116 GLU B OE2 1 
ATOM   983  O OE2 B GLU A 1 110 ? -36.601 -18.732 -10.120 0.25 22.84 ? 116 GLU B OE2 1 
ATOM   984  N N   . ALA A 1 111 ? -31.679 -18.969 -13.787 1.00 11.45 ? 117 ALA B N   1 
ATOM   985  C CA  . ALA A 1 111 ? -30.928 -19.404 -14.973 1.00 11.58 ? 117 ALA B CA  1 
ATOM   986  C C   . ALA A 1 111 ? -31.872 -20.141 -15.909 1.00 11.66 ? 117 ALA B C   1 
ATOM   987  O O   . ALA A 1 111 ? -32.719 -20.946 -15.501 1.00 11.60 ? 117 ALA B O   1 
ATOM   988  C CB  . ALA A 1 111 ? -29.747 -20.279 -14.603 1.00 11.43 ? 117 ALA B CB  1 
ATOM   989  N N   . GLY A 1 112 ? -31.707 -19.875 -17.202 1.00 11.52 ? 118 GLY B N   1 
ATOM   990  C CA  . GLY A 1 112 ? -32.475 -20.457 -18.316 1.00 12.54 ? 118 GLY B CA  1 
ATOM   991  C C   . GLY A 1 112 ? -32.106 -21.893 -18.626 1.00 12.88 ? 118 GLY B C   1 
ATOM   992  O O   . GLY A 1 112 ? -31.852 -22.218 -19.744 1.00 14.58 ? 118 GLY B O   1 
ATOM   993  N N   . THR A 1 113 ? -32.137 -22.769 -17.649 1.00 14.39 ? 119 THR B N   1 
ATOM   994  C CA  . THR A 1 113 ? -32.134 -24.225 -17.850 1.00 15.96 ? 119 THR B CA  1 
ATOM   995  C C   . THR A 1 113 ? -33.567 -24.705 -18.092 1.00 15.24 ? 119 THR B C   1 
ATOM   996  O O   . THR A 1 113 ? -34.493 -23.898 -17.935 1.00 18.45 ? 119 THR B O   1 
ATOM   997  C CB  . THR A 1 113 ? -31.496 -24.844 -16.616 1.00 13.72 ? 119 THR B CB  1 
ATOM   998  O OG1 . THR A 1 113 ? -32.176 -24.388 -15.430 1.00 14.24 ? 119 THR B OG1 1 
ATOM   999  C CG2 . THR A 1 113 ? -30.041 -24.531 -16.459 1.00 15.72 ? 119 THR B CG2 1 
ATOM   1000 N N   . SER A 1 114 ? -33.753 -25.996 -18.390 1.00 18.99 ? 120 SER B N   1 
ATOM   1001 C CA  . SER A 1 114 ? -35.097 -26.572 -18.570 1.00 22.74 ? 120 SER B CA  1 
ATOM   1002 C C   . SER A 1 114 ? -35.249 -27.767 -17.630 1.00 22.70 ? 120 SER B C   1 
ATOM   1003 O O   . SER A 1 114 ? -34.607 -28.799 -17.811 1.00 24.93 ? 120 SER B O   1 
ATOM   1004 C CB  . SER A 1 114 ? -35.362 -26.944 -20.014 1.00 28.48 ? 120 SER B CB  1 
ATOM   1005 O OG  . SER A 1 114 ? -36.724 -27.356 -20.149 1.00 30.14 ? 120 SER B OG  1 
ATOM   1006 N N   . PRO A 1 115 ? -36.000 -27.618 -16.528 1.00 21.84 ? 121 PRO B N   1 
ATOM   1007 C CA  . PRO A 1 115 ? -36.681 -26.381 -16.171 1.00 21.58 ? 121 PRO B CA  1 
ATOM   1008 C C   . PRO A 1 115 ? -35.701 -25.377 -15.542 1.00 18.07 ? 121 PRO B C   1 
ATOM   1009 O O   . PRO A 1 115 ? -34.528 -25.701 -15.285 1.00 17.16 ? 121 PRO B O   1 
ATOM   1010 C CB  . PRO A 1 115 ? -37.719 -26.824 -15.139 1.00 24.78 ? 121 PRO B CB  1 
ATOM   1011 C CG  . PRO A 1 115 ? -37.065 -28.001 -14.458 1.00 24.49 ? 121 PRO B CG  1 
ATOM   1012 C CD  . PRO A 1 115 ? -36.192 -28.670 -15.506 1.00 23.14 ? 121 PRO B CD  1 
ATOM   1013 N N   . GLN A 1 116 ? -36.176 -24.168 -15.307 1.00 17.67 ? 122 GLN B N   1 
ATOM   1014 C CA  . GLN A 1 116 ? -35.306 -23.048 -14.870 1.00 16.76 ? 122 GLN B CA  1 
ATOM   1015 C C   . GLN A 1 116 ? -34.781 -23.295 -13.447 1.00 14.85 ? 122 GLN B C   1 
ATOM   1016 O O   . GLN A 1 116 ? -35.426 -24.021 -12.671 1.00 15.35 ? 122 GLN B O   1 
ATOM   1017 C CB  . GLN A 1 116 ? -35.987 -21.685 -14.997 1.00 21.68 ? 122 GLN B CB  1 
ATOM   1018 C CG  . GLN A 1 116 ? -37.127 -21.455 -14.042 1.00 29.07 ? 122 GLN B CG  1 
ATOM   1019 C CD  . GLN A 1 116 ? -38.451 -21.587 -14.741 1.00 39.07 ? 122 GLN B CD  1 
ATOM   1020 O OE1 . GLN A 1 116 ? -38.683 -22.503 -15.545 1.00 46.52 ? 122 GLN B OE1 1 
ATOM   1021 N NE2 . GLN A 1 116 ? -39.344 -20.687 -14.380 1.00 47.75 ? 122 GLN B NE2 1 
ATOM   1022 N N   . THR A 1 117 ? -33.639 -22.699 -13.158 1.00 13.33 ? 123 THR B N   1 
ATOM   1023 C CA  . THR A 1 117 ? -32.907 -22.863 -11.889 1.00 12.22 ? 123 THR B CA  1 
ATOM   1024 C C   . THR A 1 117 ? -32.949 -21.560 -11.103 1.00 11.83 ? 123 THR B C   1 
ATOM   1025 O O   . THR A 1 117 ? -32.464 -20.510 -11.602 1.00 12.84 ? 123 THR B O   1 
ATOM   1026 C CB  . THR A 1 117 ? -31.477 -23.354 -12.136 1.00 12.10 ? 123 THR B CB  1 
ATOM   1027 O OG1 . THR A 1 117 ? -31.556 -24.575 -12.864 1.00 13.82 ? 123 THR B OG1 1 
ATOM   1028 C CG2 . THR A 1 117 ? -30.732 -23.545 -10.838 1.00 13.11 ? 123 THR B CG2 1 
ATOM   1029 N N   . THR A 1 118 ? -33.372 -21.619 -9.840  1.00 12.74 ? 124 THR B N   1 
ATOM   1030 C CA  . THR A 1 118 ? -33.301 -20.491 -8.885  1.00 13.03 ? 124 THR B CA  1 
ATOM   1031 C C   . THR A 1 118 ? -31.878 -19.997 -8.656  1.00 12.56 ? 124 THR B C   1 
ATOM   1032 O O   . THR A 1 118 ? -30.968 -20.851 -8.392  1.00 14.42 ? 124 THR B O   1 
ATOM   1033 C CB  . THR A 1 118 ? -33.944 -20.935 -7.564  1.00 15.62 ? 124 THR B CB  1 
ATOM   1034 O OG1 . THR A 1 118 ? -35.308 -21.225 -7.831  1.00 18.84 ? 124 THR B OG1 1 
ATOM   1035 C CG2 . THR A 1 118 ? -33.768 -19.885 -6.504  1.00 18.19 ? 124 THR B CG2 1 
ATOM   1036 N N   . LEU A 1 119 ? -31.624 -18.702 -8.751  1.00 11.22 ? 125 LEU B N   1 
ATOM   1037 C CA  . LEU A 1 119 ? -30.319 -18.085 -8.442  1.00 11.34 ? 125 LEU B CA  1 
ATOM   1038 C C   . LEU A 1 119 ? -30.403 -17.491 -7.027  1.00 13.33 ? 125 LEU B C   1 
ATOM   1039 O O   . LEU A 1 119 ? -31.513 -17.203 -6.536  1.00 16.79 ? 125 LEU B O   1 
ATOM   1040 C CB  . LEU A 1 119 ? -29.912 -17.019 -9.473  1.00 11.91 ? 125 LEU B CB  1 
ATOM   1041 C CG  . LEU A 1 119 ? -29.838 -17.557 -10.901 1.00 11.05 ? 125 LEU B CG  1 
ATOM   1042 C CD1 . LEU A 1 119 ? -29.583 -16.458 -11.931 1.00 11.43 ? 125 LEU B CD1 1 
ATOM   1043 C CD2 . LEU A 1 119 ? -28.742 -18.616 -11.042 1.00 12.18 ? 125 LEU B CD2 1 
ATOM   1044 N N   . HIS A 1 120 ? -29.263 -17.389 -6.385  1.00 12.65 ? 126 HIS B N   1 
ATOM   1045 C CA  . HIS A 1 120 ? -29.169 -16.918 -4.978  1.00 13.06 ? 126 HIS B CA  1 
ATOM   1046 C C   . HIS A 1 120 ? -28.366 -15.632 -5.014  1.00 14.74 ? 126 HIS B C   1 
ATOM   1047 O O   . HIS A 1 120 ? -27.109 -15.680 -5.016  1.00 19.52 ? 126 HIS B O   1 
ATOM   1048 C CB  . HIS A 1 120 ? -28.502 -18.000 -4.115  1.00 13.76 ? 126 HIS B CB  1 
ATOM   1049 C CG  . HIS A 1 120 ? -29.271 -19.286 -4.070  1.00 14.55 ? 126 HIS B CG  1 
ATOM   1050 N ND1 . HIS A 1 120 ? -28.970 -20.357 -4.892  1.00 15.49 ? 126 HIS B ND1 1 
ATOM   1051 C CD2 . HIS A 1 120 ? -30.354 -19.649 -3.376  1.00 16.28 ? 126 HIS B CD2 1 
ATOM   1052 C CE1 . HIS A 1 120 ? -29.829 -21.334 -4.642  1.00 17.19 ? 126 HIS B CE1 1 
ATOM   1053 N NE2 . HIS A 1 120 ? -30.678 -20.944 -3.708  1.00 16.74 ? 126 HIS B NE2 1 
ATOM   1054 N N   . ILE A 1 121 ? -29.034 -14.502 -5.063  1.00 17.79 ? 127 ILE B N   1 
ATOM   1055 C CA  . ILE A 1 121 ? -28.381 -13.170 -5.192  1.00 20.03 ? 127 ILE B CA  1 
ATOM   1056 C C   . ILE A 1 121 ? -28.769 -12.318 -3.958  1.00 19.46 ? 127 ILE B C   1 
ATOM   1057 O O   . ILE A 1 121 ? -29.956 -12.041 -3.755  1.00 25.80 ? 127 ILE B O   1 
ATOM   1058 C CB  . ILE A 1 121 ? -28.801 -12.557 -6.550  1.00 20.83 ? 127 ILE B CB  1 
ATOM   1059 C CG1 . ILE A 1 121 ? -28.252 -13.409 -7.712  1.00 19.75 ? 127 ILE B CG1 1 
ATOM   1060 C CG2 . ILE A 1 121 ? -28.361 -11.098 -6.582  1.00 25.57 ? 127 ILE B CG2 1 
ATOM   1061 C CD1 . ILE A 1 121 ? -28.393 -12.811 -9.097  1.00 21.96 ? 127 ILE B CD1 1 
ATOM   1062 N N   . GLN A 1 122 ? -27.796 -11.988 -3.138  1.00 22.56 ? 128 GLN B N   1 
ATOM   1063 C CA  . GLN A 1 122 ? -28.006 -11.176 -1.903  1.00 24.26 ? 128 GLN B CA  1 
ATOM   1064 C C   . GLN A 1 122 ? -27.960 -9.686  -2.279  1.00 22.14 ? 128 GLN B C   1 
ATOM   1065 O O   . GLN A 1 122 ? -28.756 -8.916  -1.682  1.00 22.42 ? 128 GLN B O   1 
ATOM   1066 C CB  . GLN A 1 122 ? -26.939 -11.554 -0.865  1.00 28.73 ? 128 GLN B CB  1 
ATOM   1067 C CG  . GLN A 1 122 ? -27.027 -10.748 0.433   1.00 37.83 ? 128 GLN B CG  1 
ATOM   1068 C CD  . GLN A 1 122 ? -28.328 -10.965 1.181   1.00 42.71 ? 128 GLN B CD  1 
ATOM   1069 O OE1 . GLN A 1 122 ? -29.033 -11.951 0.971   1.00 47.77 ? 128 GLN B OE1 1 
ATOM   1070 N NE2 . GLN A 1 122 ? -28.678 -10.023 2.052   1.00 43.40 ? 128 GLN B NE2 1 
ATOM   1071 N N   . VAL A 1 123 ? -27.168 -9.322  -3.291  1.00 19.99 ? 129 VAL B N   1 
ATOM   1072 C CA  . VAL A 1 123 ? -26.980 -7.894  -3.700  1.00 19.09 ? 129 VAL B CA  1 
ATOM   1073 C C   . VAL A 1 123 ? -27.518 -7.711  -5.117  1.00 18.74 ? 129 VAL B C   1 
ATOM   1074 O O   . VAL A 1 123 ? -26.890 -8.191  -6.067  1.00 17.97 ? 129 VAL B O   1 
ATOM   1075 C CB  . VAL A 1 123 ? -25.507 -7.480  -3.619  1.00 20.65 ? 129 VAL B CB  1 
ATOM   1076 C CG1 . VAL A 1 123 ? -25.296 -6.050  -4.108  1.00 21.42 ? 129 VAL B CG1 1 
ATOM   1077 C CG2 . VAL A 1 123 ? -24.954 -7.630  -2.206  1.00 22.11 ? 129 VAL B CG2 1 
ATOM   1078 N N   . PRO A 1 124 ? -28.733 -7.157  -5.322  1.00 17.61 ? 130 PRO B N   1 
ATOM   1079 C CA  . PRO A 1 124 ? -29.303 -7.041  -6.671  1.00 17.75 ? 130 PRO B CA  1 
ATOM   1080 C C   . PRO A 1 124 ? -28.295 -6.373  -7.583  1.00 16.78 ? 130 PRO B C   1 
ATOM   1081 O O   . PRO A 1 124 ? -27.782 -5.320  -7.288  1.00 16.18 ? 130 PRO B O   1 
ATOM   1082 C CB  . PRO A 1 124 ? -30.569 -6.182  -6.448  1.00 19.36 ? 130 PRO B CB  1 
ATOM   1083 C CG  . PRO A 1 124 ? -30.977 -6.600  -5.023  1.00 20.13 ? 130 PRO B CG  1 
ATOM   1084 C CD  . PRO A 1 124 ? -29.684 -6.693  -4.284  1.00 19.82 ? 130 PRO B CD  1 
ATOM   1085 N N   . PRO A 1 125 ? -27.895 -6.994  -8.702  1.00 14.68 ? 131 PRO B N   1 
ATOM   1086 C CA  . PRO A 1 125 ? -26.892 -6.407  -9.568  1.00 15.35 ? 131 PRO B CA  1 
ATOM   1087 C C   . PRO A 1 125 ? -27.381 -5.196  -10.369 1.00 13.93 ? 131 PRO B C   1 
ATOM   1088 O O   . PRO A 1 125 ? -28.498 -5.218  -10.869 1.00 15.90 ? 131 PRO B O   1 
ATOM   1089 C CB  . PRO A 1 125 ? -26.482 -7.547  -10.506 1.00 16.28 ? 131 PRO B CB  1 
ATOM   1090 C CG  . PRO A 1 125 ? -27.552 -8.560  -10.400 1.00 17.19 ? 131 PRO B CG  1 
ATOM   1091 C CD  . PRO A 1 125 ? -28.256 -8.368  -9.093  1.00 15.17 ? 131 PRO B CD  1 
ATOM   1092 N N   . CYS A 1 126 ? -26.521 -4.195  -10.481 1.00 14.38 ? 132 CYS B N   1 
ATOM   1093 C CA  . CYS A 1 126 ? -26.708 -3.067  -11.438 1.00 15.96 ? 132 CYS B CA  1 
ATOM   1094 C C   . CYS A 1 126 ? -25.923 -3.327  -12.729 1.00 14.63 ? 132 CYS B C   1 
ATOM   1095 O O   . CYS A 1 126 ? -26.237 -2.747  -13.774 1.00 13.40 ? 132 CYS B O   1 
ATOM   1096 C CB  . CYS A 1 126 ? -26.273 -1.741  -10.843 1.00 18.83 ? 132 CYS B CB  1 
ATOM   1097 S SG  . CYS A 1 126 ? -27.305 -1.298  -9.413  1.00 24.50 ? 132 CYS B SG  1 
ATOM   1098 N N   A GLN A 1 127 ? -24.878 -4.164  -12.680 0.25 14.43 ? 133 GLN B N   1 
ATOM   1099 N N   B GLN A 1 127 ? -24.923 -4.213  -12.652 0.25 15.36 ? 133 GLN B N   1 
ATOM   1100 C CA  A GLN A 1 127 ? -24.139 -4.569  -13.909 0.25 14.59 ? 133 GLN B CA  1 
ATOM   1101 C CA  B GLN A 1 127 ? -24.086 -4.598  -13.818 0.25 16.30 ? 133 GLN B CA  1 
ATOM   1102 C C   A GLN A 1 127 ? -23.767 -6.050  -13.802 0.25 14.06 ? 133 GLN B C   1 
ATOM   1103 C C   B GLN A 1 127 ? -23.854 -6.111  -13.762 0.25 14.98 ? 133 GLN B C   1 
ATOM   1104 O O   A GLN A 1 127 ? -23.394 -6.490  -12.702 0.25 13.02 ? 133 GLN B O   1 
ATOM   1105 O O   B GLN A 1 127 ? -23.728 -6.663  -12.649 0.25 13.36 ? 133 GLN B O   1 
ATOM   1106 C CB  A GLN A 1 127 ? -22.866 -3.757  -14.166 0.25 15.73 ? 133 GLN B CB  1 
ATOM   1107 C CB  B GLN A 1 127 ? -22.771 -3.818  -13.837 0.25 19.36 ? 133 GLN B CB  1 
ATOM   1108 C CG  A GLN A 1 127 ? -23.078 -2.267  -14.370 0.25 17.03 ? 133 GLN B CG  1 
ATOM   1109 C CG  B GLN A 1 127 ? -22.929 -2.365  -14.243 0.25 21.73 ? 133 GLN B CG  1 
ATOM   1110 C CD  A GLN A 1 127 ? -22.955 -1.508  -13.076 0.25 17.50 ? 133 GLN B CD  1 
ATOM   1111 C CD  B GLN A 1 127 ? -21.619 -1.676  -14.538 0.25 23.32 ? 133 GLN B CD  1 
ATOM   1112 O OE1 A GLN A 1 127 ? -22.209 -1.892  -12.175 0.25 17.92 ? 133 GLN B OE1 1 
ATOM   1113 O OE1 B GLN A 1 127 ? -20.627 -2.281  -14.958 0.25 26.78 ? 133 GLN B OE1 1 
ATOM   1114 N NE2 A GLN A 1 127 ? -23.713 -0.427  -12.973 0.25 17.98 ? 133 GLN B NE2 1 
ATOM   1115 N NE2 B GLN A 1 127 ? -21.623 -0.374  -14.342 0.25 25.85 ? 133 GLN B NE2 1 
ATOM   1116 N N   . ILE A 1 128 ? -23.900 -6.758  -14.929 1.00 13.79 ? 134 ILE B N   1 
ATOM   1117 C CA  . ILE A 1 128 ? -23.686 -8.225  -15.066 1.00 13.54 ? 134 ILE B CA  1 
ATOM   1118 C C   . ILE A 1 128 ? -22.467 -8.398  -15.957 1.00 13.24 ? 134 ILE B C   1 
ATOM   1119 O O   . ILE A 1 128 ? -22.378 -7.783  -17.074 1.00 12.63 ? 134 ILE B O   1 
ATOM   1120 C CB  . ILE A 1 128 ? -24.923 -8.859  -15.700 1.00 14.40 ? 134 ILE B CB  1 
ATOM   1121 C CG1 . ILE A 1 128 ? -26.204 -8.651  -14.884 1.00 16.61 ? 134 ILE B CG1 1 
ATOM   1122 C CG2 . ILE A 1 128 ? -24.651 -10.332 -15.989 1.00 15.11 ? 134 ILE B CG2 1 
ATOM   1123 C CD1 . ILE A 1 128 ? -26.246 -9.400  -13.619 1.00 15.16 ? 134 ILE B CD1 1 
ATOM   1124 N N   . GLY A 1 129 ? -21.521 -9.242  -15.541 1.00 12.78 ? 135 GLY B N   1 
ATOM   1125 C CA  . GLY A 1 129 ? -20.429 -9.709  -16.413 1.00 12.18 ? 135 GLY B CA  1 
ATOM   1126 C C   . GLY A 1 129 ? -20.720 -11.070 -17.003 1.00 12.38 ? 135 GLY B C   1 
ATOM   1127 O O   . GLY A 1 129 ? -21.291 -11.919 -16.336 1.00 12.10 ? 135 GLY B O   1 
ATOM   1128 N N   . ILE A 1 130 ? -20.478 -11.206 -18.307 1.00 11.85 ? 136 ILE B N   1 
ATOM   1129 C CA  . ILE A 1 130 ? -20.717 -12.469 -19.057 1.00 11.82 ? 136 ILE B CA  1 
ATOM   1130 C C   . ILE A 1 130 ? -19.397 -12.962 -19.646 1.00 12.71 ? 136 ILE B C   1 
ATOM   1131 O O   . ILE A 1 130 ? -18.715 -12.205 -20.328 1.00 11.87 ? 136 ILE B O   1 
ATOM   1132 C CB  . ILE A 1 130 ? -21.750 -12.245 -20.166 1.00 12.99 ? 136 ILE B CB  1 
ATOM   1133 C CG1 . ILE A 1 130 ? -23.040 -11.705 -19.559 1.00 14.61 ? 136 ILE B CG1 1 
ATOM   1134 C CG2 . ILE A 1 130 ? -21.993 -13.516 -20.999 1.00 13.32 ? 136 ILE B CG2 1 
ATOM   1135 C CD1 . ILE A 1 130 ? -24.085 -11.327 -20.549 1.00 16.82 ? 136 ILE B CD1 1 
ATOM   1136 N N   . PHE A 1 131 ? -19.035 -14.176 -19.312 1.00 12.30 ? 137 PHE B N   1 
ATOM   1137 C CA  . PHE A 1 131 ? -17.795 -14.836 -19.772 1.00 11.75 ? 137 PHE B CA  1 
ATOM   1138 C C   . PHE A 1 131 ? -18.175 -16.073 -20.564 1.00 10.55 ? 137 PHE B C   1 
ATOM   1139 O O   . PHE A 1 131 ? -18.926 -16.933 -20.098 1.00 11.14 ? 137 PHE B O   1 
ATOM   1140 C CB  . PHE A 1 131 ? -16.950 -15.265 -18.578 1.00 13.85 ? 137 PHE B CB  1 
ATOM   1141 C CG  . PHE A 1 131 ? -15.700 -16.030 -18.958 1.00 14.12 ? 137 PHE B CG  1 
ATOM   1142 C CD1 . PHE A 1 131 ? -14.664 -15.398 -19.616 1.00 15.79 ? 137 PHE B CD1 1 
ATOM   1143 C CD2 . PHE A 1 131 ? -15.542 -17.358 -18.598 1.00 15.63 ? 137 PHE B CD2 1 
ATOM   1144 C CE1 . PHE A 1 131 ? -13.495 -16.092 -19.919 1.00 18.25 ? 137 PHE B CE1 1 
ATOM   1145 C CE2 . PHE A 1 131 ? -14.388 -18.059 -18.937 1.00 17.63 ? 137 PHE B CE2 1 
ATOM   1146 C CZ  . PHE A 1 131 ? -13.373 -17.419 -19.601 1.00 16.35 ? 137 PHE B CZ  1 
ATOM   1147 N N   . VAL A 1 132 ? -17.581 -16.199 -21.750 1.00 11.37 ? 138 VAL B N   1 
ATOM   1148 C CA  . VAL A 1 132 ? -17.758 -17.386 -22.620 1.00 11.85 ? 138 VAL B CA  1 
ATOM   1149 C C   . VAL A 1 132 ? -16.382 -17.991 -22.931 1.00 11.48 ? 138 VAL B C   1 
ATOM   1150 O O   . VAL A 1 132 ? -15.488 -17.286 -23.427 1.00 12.72 ? 138 VAL B O   1 
ATOM   1151 C CB  . VAL A 1 132 ? -18.491 -17.056 -23.924 1.00 12.01 ? 138 VAL B CB  1 
ATOM   1152 C CG1 . VAL A 1 132 ? -18.640 -18.314 -24.774 1.00 13.68 ? 138 VAL B CG1 1 
ATOM   1153 C CG2 . VAL A 1 132 ? -19.843 -16.405 -23.632 1.00 13.99 ? 138 VAL B CG2 1 
ATOM   1154 N N   . ASP A 1 133 ? -16.230 -19.274 -22.645 1.00 11.69 ? 139 ASP B N   1 
ATOM   1155 C CA  . ASP A 1 133 ? -15.050 -20.064 -23.076 1.00 13.19 ? 139 ASP B CA  1 
ATOM   1156 C C   . ASP A 1 133 ? -15.556 -21.088 -24.079 1.00 11.98 ? 139 ASP B C   1 
ATOM   1157 O O   . ASP A 1 133 ? -16.204 -22.081 -23.714 1.00 11.88 ? 139 ASP B O   1 
ATOM   1158 C CB  . ASP A 1 133 ? -14.332 -20.669 -21.890 1.00 12.96 ? 139 ASP B CB  1 
ATOM   1159 C CG  . ASP A 1 133 ? -13.068 -21.435 -22.278 1.00 16.00 ? 139 ASP B CG  1 
ATOM   1160 O OD1 . ASP A 1 133 ? -12.953 -21.879 -23.452 1.00 16.44 ? 139 ASP B OD1 1 
ATOM   1161 O OD2 . ASP A 1 133 ? -12.239 -21.617 -21.335 1.00 19.41 ? 139 ASP B OD2 1 
ATOM   1162 N N   . TYR A 1 134 ? -15.338 -20.788 -25.368 1.00 12.54 ? 140 TYR B N   1 
ATOM   1163 C CA  . TYR A 1 134 ? -15.908 -21.609 -26.446 1.00 12.65 ? 140 TYR B CA  1 
ATOM   1164 C C   . TYR A 1 134 ? -15.360 -23.044 -26.371 1.00 13.05 ? 140 TYR B C   1 
ATOM   1165 O O   . TYR A 1 134 ? -16.131 -23.992 -26.338 1.00 14.80 ? 140 TYR B O   1 
ATOM   1166 C CB  . TYR A 1 134 ? -15.655 -20.968 -27.815 1.00 12.70 ? 140 TYR B CB  1 
ATOM   1167 C CG  . TYR A 1 134 ? -16.579 -21.557 -28.865 1.00 13.16 ? 140 TYR B CG  1 
ATOM   1168 C CD1 . TYR A 1 134 ? -16.404 -22.839 -29.366 1.00 13.28 ? 140 TYR B CD1 1 
ATOM   1169 C CD2 . TYR A 1 134 ? -17.730 -20.885 -29.257 1.00 13.39 ? 140 TYR B CD2 1 
ATOM   1170 C CE1 . TYR A 1 134 ? -17.302 -23.430 -30.239 1.00 13.76 ? 140 TYR B CE1 1 
ATOM   1171 C CE2 . TYR A 1 134 ? -18.639 -21.459 -30.135 1.00 12.90 ? 140 TYR B CE2 1 
ATOM   1172 C CZ  . TYR A 1 134 ? -18.411 -22.719 -30.675 1.00 12.41 ? 140 TYR B CZ  1 
ATOM   1173 O OH  . TYR A 1 134 ? -19.309 -23.314 -31.515 1.00 12.88 ? 140 TYR B OH  1 
ATOM   1174 N N   . GLU A 1 135 ? -14.057 -23.184 -26.268 1.00 14.91 ? 141 GLU B N   1 
ATOM   1175 C CA  . GLU A 1 135 ? -13.435 -24.535 -26.309 1.00 16.00 ? 141 GLU B CA  1 
ATOM   1176 C C   . GLU A 1 135 ? -13.884 -25.354 -25.108 1.00 14.38 ? 141 GLU B C   1 
ATOM   1177 O O   . GLU A 1 135 ? -14.245 -26.540 -25.265 1.00 16.52 ? 141 GLU B O   1 
ATOM   1178 C CB  . GLU A 1 135 ? -11.915 -24.415 -26.389 1.00 17.34 ? 141 GLU B CB  1 
ATOM   1179 C CG  . GLU A 1 135 ? -11.432 -24.252 -27.844 1.00 25.33 ? 141 GLU B CG  1 
ATOM   1180 C CD  . GLU A 1 135 ? -11.877 -22.965 -28.460 1.00 29.15 ? 141 GLU B CD  1 
ATOM   1181 O OE1 . GLU A 1 135 ? -12.229 -22.976 -29.611 1.00 26.95 ? 141 GLU B OE1 1 
ATOM   1182 O OE2 . GLU A 1 135 ? -11.920 -21.952 -27.719 1.00 33.52 ? 141 GLU B OE2 1 
ATOM   1183 N N   . ALA A 1 136 ? -13.946 -24.757 -23.925 1.00 13.21 ? 142 ALA B N   1 
ATOM   1184 C CA  . ALA A 1 136 ? -14.299 -25.478 -22.694 1.00 14.86 ? 142 ALA B CA  1 
ATOM   1185 C C   . ALA A 1 136 ? -15.805 -25.757 -22.605 1.00 15.24 ? 142 ALA B C   1 
ATOM   1186 O O   . ALA A 1 136 ? -16.201 -26.620 -21.812 1.00 16.29 ? 142 ALA B O   1 
ATOM   1187 C CB  . ALA A 1 136 ? -13.845 -24.683 -21.495 1.00 16.44 ? 142 ALA B CB  1 
ATOM   1188 N N   . GLY A 1 137 ? -16.643 -25.084 -23.399 1.00 13.07 ? 143 GLY B N   1 
ATOM   1189 C CA  . GLY A 1 137 ? -18.098 -25.206 -23.299 1.00 11.89 ? 143 GLY B CA  1 
ATOM   1190 C C   . GLY A 1 137 ? -18.629 -24.599 -21.999 1.00 11.12 ? 143 GLY B C   1 
ATOM   1191 O O   . GLY A 1 137 ? -19.404 -25.283 -21.333 1.00 12.14 ? 143 GLY B O   1 
ATOM   1192 N N   . VAL A 1 138 ? -18.246 -23.374 -21.678 1.00 11.99 ? 144 VAL B N   1 
ATOM   1193 C CA  . VAL A 1 138 ? -18.619 -22.652 -20.420 1.00 11.97 ? 144 VAL B CA  1 
ATOM   1194 C C   . VAL A 1 138 ? -19.225 -21.296 -20.736 1.00 11.82 ? 144 VAL B C   1 
ATOM   1195 O O   . VAL A 1 138 ? -18.639 -20.523 -21.542 1.00 12.61 ? 144 VAL B O   1 
ATOM   1196 C CB  . VAL A 1 138 ? -17.381 -22.474 -19.547 1.00 13.56 ? 144 VAL B CB  1 
ATOM   1197 C CG1 . VAL A 1 138 ? -17.635 -21.528 -18.369 1.00 14.12 ? 144 VAL B CG1 1 
ATOM   1198 C CG2 . VAL A 1 138 ? -16.920 -23.844 -19.089 1.00 14.73 ? 144 VAL B CG2 1 
ATOM   1199 N N   . VAL A 1 139 ? -20.331 -20.982 -20.059 1.00 11.38 ? 145 VAL B N   1 
ATOM   1200 C CA  . VAL A 1 139 ? -20.867 -19.597 -19.992 1.00 10.73 ? 145 VAL B CA  1 
ATOM   1201 C C   . VAL A 1 139 ? -21.079 -19.241 -18.511 1.00 10.04 ? 145 VAL B C   1 
ATOM   1202 O O   . VAL A 1 139 ? -21.844 -19.977 -17.839 1.00 11.61 ? 145 VAL B O   1 
ATOM   1203 C CB  . VAL A 1 139 ? -22.192 -19.471 -20.764 1.00 11.02 ? 145 VAL B CB  1 
ATOM   1204 C CG1 . VAL A 1 139 ? -22.659 -18.018 -20.769 1.00 11.01 ? 145 VAL B CG1 1 
ATOM   1205 C CG2 . VAL A 1 139 ? -22.058 -19.999 -22.178 1.00 11.16 ? 145 VAL B CG2 1 
ATOM   1206 N N   . SER A 1 140 ? -20.421 -18.197 -18.054 1.00 10.19 ? 146 SER B N   1 
ATOM   1207 C CA  . SER A 1 140 ? -20.516 -17.792 -16.632 1.00 11.27 ? 146 SER B CA  1 
ATOM   1208 C C   . SER A 1 140 ? -20.995 -16.347 -16.526 1.00 10.97 ? 146 SER B C   1 
ATOM   1209 O O   . SER A 1 140 ? -20.693 -15.517 -17.369 1.00 11.58 ? 146 SER B O   1 
ATOM   1210 C CB  . SER A 1 140 ? -19.181 -17.975 -15.940 1.00 12.03 ? 146 SER B CB  1 
ATOM   1211 O OG  . SER A 1 140 ? -18.837 -19.365 -15.829 1.00 12.63 ? 146 SER B OG  1 
ATOM   1212 N N   . PHE A 1 141 ? -21.693 -16.072 -15.445 1.00 10.45 ? 147 PHE B N   1 
ATOM   1213 C CA  . PHE A 1 141 ? -22.312 -14.774 -15.149 1.00 10.56 ? 147 PHE B CA  1 
ATOM   1214 C C   . PHE A 1 141 ? -21.796 -14.307 -13.797 1.00 10.98 ? 147 PHE B C   1 
ATOM   1215 O O   . PHE A 1 141 ? -21.797 -15.107 -12.810 1.00 11.11 ? 147 PHE B O   1 
ATOM   1216 C CB  . PHE A 1 141 ? -23.851 -14.887 -15.136 1.00 10.65 ? 147 PHE B CB  1 
ATOM   1217 C CG  . PHE A 1 141 ? -24.422 -15.279 -16.478 1.00 10.53 ? 147 PHE B CG  1 
ATOM   1218 C CD1 . PHE A 1 141 ? -24.508 -16.622 -16.850 1.00 10.38 ? 147 PHE B CD1 1 
ATOM   1219 C CD2 . PHE A 1 141 ? -24.931 -14.310 -17.341 1.00 10.58 ? 147 PHE B CD2 1 
ATOM   1220 C CE1 . PHE A 1 141 ? -24.974 -16.962 -18.124 1.00 9.96  ? 147 PHE B CE1 1 
ATOM   1221 C CE2 . PHE A 1 141 ? -25.434 -14.678 -18.586 1.00 10.22 ? 147 PHE B CE2 1 
ATOM   1222 C CZ  . PHE A 1 141 ? -25.501 -16.002 -18.951 1.00 9.74  ? 147 PHE B CZ  1 
ATOM   1223 N N   . TYR A 1 142 ? -21.450 -13.020 -13.735 1.00 10.96 ? 148 TYR B N   1 
ATOM   1224 C CA  . TYR A 1 142 ? -20.829 -12.392 -12.545 1.00 12.57 ? 148 TYR B CA  1 
ATOM   1225 C C   . TYR A 1 142 ? -21.602 -11.140 -12.117 1.00 13.58 ? 148 TYR B C   1 
ATOM   1226 O O   . TYR A 1 142 ? -22.087 -10.362 -12.940 1.00 13.80 ? 148 TYR B O   1 
ATOM   1227 C CB  . TYR A 1 142 ? -19.347 -12.104 -12.775 1.00 12.69 ? 148 TYR B CB  1 
ATOM   1228 C CG  . TYR A 1 142 ? -18.548 -13.349 -13.070 1.00 13.47 ? 148 TYR B CG  1 
ATOM   1229 C CD1 . TYR A 1 142 ? -18.041 -14.127 -12.057 1.00 14.06 ? 148 TYR B CD1 1 
ATOM   1230 C CD2 . TYR A 1 142 ? -18.338 -13.788 -14.369 1.00 14.07 ? 148 TYR B CD2 1 
ATOM   1231 C CE1 . TYR A 1 142 ? -17.356 -15.309 -12.301 1.00 15.40 ? 148 TYR B CE1 1 
ATOM   1232 C CE2 . TYR A 1 142 ? -17.633 -14.954 -14.630 1.00 14.59 ? 148 TYR B CE2 1 
ATOM   1233 C CZ  . TYR A 1 142 ? -17.104 -15.710 -13.600 1.00 15.01 ? 148 TYR B CZ  1 
ATOM   1234 O OH  . TYR A 1 142 ? -16.456 -16.895 -13.868 1.00 16.95 ? 148 TYR B OH  1 
ATOM   1235 N N   . ASN A 1 143 ? -21.663 -10.943 -10.808 1.00 13.98 ? 149 ASN B N   1 
ATOM   1236 C CA  . ASN A 1 143 ? -22.352 -9.779  -10.167 1.00 13.52 ? 149 ASN B CA  1 
ATOM   1237 C C   . ASN A 1 143 ? -21.310 -8.662  -9.989  1.00 14.87 ? 149 ASN B C   1 
ATOM   1238 O O   . ASN A 1 143 ? -20.551 -8.663  -8.995  1.00 15.04 ? 149 ASN B O   1 
ATOM   1239 C CB  . ASN A 1 143 ? -23.002 -10.217 -8.853  1.00 13.69 ? 149 ASN B CB  1 
ATOM   1240 C CG  . ASN A 1 143 ? -23.832 -9.115  -8.199  1.00 14.72 ? 149 ASN B CG  1 
ATOM   1241 O OD1 . ASN A 1 143 ? -23.655 -7.941  -8.546  1.00 15.67 ? 149 ASN B OD1 1 
ATOM   1242 N ND2 . ASN A 1 143 ? -24.711 -9.495  -7.307  1.00 15.46 ? 149 ASN B ND2 1 
ATOM   1243 N N   . ILE A 1 144 ? -21.247 -7.680  -10.879 1.00 15.36 ? 150 ILE B N   1 
ATOM   1244 C CA  . ILE A 1 144 ? -20.183 -6.648  -10.836 1.00 15.92 ? 150 ILE B CA  1 
ATOM   1245 C C   . ILE A 1 144 ? -20.428 -5.779  -9.578  1.00 17.91 ? 150 ILE B C   1 
ATOM   1246 O O   . ILE A 1 144 ? -19.438 -5.318  -8.970  1.00 19.17 ? 150 ILE B O   1 
ATOM   1247 C CB  . ILE A 1 144 ? -20.175 -5.832  -12.140 1.00 17.17 ? 150 ILE B CB  1 
ATOM   1248 C CG1 . ILE A 1 144 ? -20.009 -6.684  -13.407 1.00 17.83 ? 150 ILE B CG1 1 
ATOM   1249 C CG2 . ILE A 1 144 ? -19.138 -4.712  -12.101 1.00 18.53 ? 150 ILE B CG2 1 
ATOM   1250 C CD1 . ILE A 1 144 ? -18.969 -7.734  -13.286 1.00 21.47 ? 150 ILE B CD1 1 
ATOM   1251 N N   . THR A 1 145 ? -21.675 -5.553  -9.212  1.00 17.43 ? 151 THR B N   1 
ATOM   1252 C CA  . THR A 1 145 ? -22.056 -4.711  -8.034  1.00 17.91 ? 151 THR B CA  1 
ATOM   1253 C C   . THR A 1 145 ? -21.519 -5.342  -6.752  1.00 20.59 ? 151 THR B C   1 
ATOM   1254 O O   . THR A 1 145 ? -21.148 -4.588  -5.820  1.00 24.04 ? 151 THR B O   1 
ATOM   1255 C CB  . THR A 1 145 ? -23.586 -4.578  -7.975  1.00 16.01 ? 151 THR B CB  1 
ATOM   1256 O OG1 . THR A 1 145 ? -24.007 -4.101  -9.248  1.00 16.50 ? 151 THR B OG1 1 
ATOM   1257 C CG2 . THR A 1 145 ? -24.008 -3.607  -6.901  1.00 18.18 ? 151 THR B CG2 1 
ATOM   1258 N N   . ASP A 1 146 ? -21.479 -6.670  -6.679  1.00 18.74 ? 152 ASP B N   1 
ATOM   1259 C CA  . ASP A 1 146 ? -20.971 -7.437  -5.506  1.00 19.16 ? 152 ASP B CA  1 
ATOM   1260 C C   . ASP A 1 146 ? -19.552 -7.964  -5.776  1.00 20.84 ? 152 ASP B C   1 
ATOM   1261 O O   . ASP A 1 146 ? -19.352 -9.157  -5.621  1.00 21.34 ? 152 ASP B O   1 
ATOM   1262 C CB  . ASP A 1 146 ? -21.977 -8.503  -5.148  1.00 18.60 ? 152 ASP B CB  1 
ATOM   1263 C CG  . ASP A 1 146 ? -21.617 -9.267  -3.898  1.00 23.35 ? 152 ASP B CG  1 
ATOM   1264 O OD1 . ASP A 1 146 ? -21.218 -8.617  -2.922  1.00 23.52 ? 152 ASP B OD1 1 
ATOM   1265 O OD2 . ASP A 1 146 ? -21.771 -10.509 -3.923  1.00 24.59 ? 152 ASP B OD2 1 
ATOM   1266 N N   . HIS A 1 147 ? -18.610 -7.099  -6.131  1.00 21.35 ? 153 HIS B N   1 
ATOM   1267 C CA  . HIS A 1 147 ? -17.160 -7.416  -6.286  1.00 26.02 ? 153 HIS B CA  1 
ATOM   1268 C C   . HIS A 1 147 ? -16.985 -8.626  -7.221  1.00 24.13 ? 153 HIS B C   1 
ATOM   1269 O O   . HIS A 1 147 ? -16.095 -9.453  -7.009  1.00 25.33 ? 153 HIS B O   1 
ATOM   1270 C CB  . HIS A 1 147 ? -16.493 -7.762  -4.949  1.00 30.04 ? 153 HIS B CB  1 
ATOM   1271 C CG  . HIS A 1 147 ? -16.850 -6.901  -3.780  1.00 38.53 ? 153 HIS B CG  1 
ATOM   1272 N ND1 . HIS A 1 147 ? -16.332 -5.626  -3.613  1.00 46.43 ? 153 HIS B ND1 1 
ATOM   1273 C CD2 . HIS A 1 147 ? -17.618 -7.157  -2.697  1.00 43.39 ? 153 HIS B CD2 1 
ATOM   1274 C CE1 . HIS A 1 147 ? -16.797 -5.113  -2.487  1.00 50.79 ? 153 HIS B CE1 1 
ATOM   1275 N NE2 . HIS A 1 147 ? -17.587 -6.039  -1.898  1.00 47.57 ? 153 HIS B NE2 1 
ATOM   1276 N N   . GLY A 1 148 ? -17.846 -8.783  -8.217  1.00 19.62 ? 154 GLY B N   1 
ATOM   1277 C CA  . GLY A 1 148 ? -17.601 -9.808  -9.253  1.00 17.11 ? 154 GLY B CA  1 
ATOM   1278 C C   . GLY A 1 148 ? -18.021 -11.208 -8.843  1.00 15.84 ? 154 GLY B C   1 
ATOM   1279 O O   . GLY A 1 148 ? -17.487 -12.121 -9.410  1.00 15.75 ? 154 GLY B O   1 
ATOM   1280 N N   . SER A 1 149 ? -18.830 -11.361 -7.814  1.00 15.51 ? 155 SER B N   1 
ATOM   1281 C CA  . SER A 1 149 ? -19.214 -12.687 -7.271  1.00 13.72 ? 155 SER B CA  1 
ATOM   1282 C C   . SER A 1 149 ? -19.907 -13.533 -8.342  1.00 14.48 ? 155 SER B C   1 
ATOM   1283 O O   . SER A 1 149 ? -20.669 -12.997 -9.191  1.00 14.18 ? 155 SER B O   1 
ATOM   1284 C CB  . SER A 1 149 ? -20.065 -12.577 -6.040  1.00 15.06 ? 155 SER B CB  1 
ATOM   1285 O OG  . SER A 1 149 ? -21.256 -11.809 -6.221  1.00 15.77 ? 155 SER B OG  1 
ATOM   1286 N N   . LEU A 1 150 ? -19.662 -14.825 -8.338  1.00 14.20 ? 156 LEU B N   1 
ATOM   1287 C CA  . LEU A 1 150 ? -20.340 -15.714 -9.316  1.00 12.33 ? 156 LEU B CA  1 
ATOM   1288 C C   . LEU A 1 150 ? -21.845 -15.780 -9.094  1.00 11.75 ? 156 LEU B C   1 
ATOM   1289 O O   . LEU A 1 150 ? -22.348 -16.038 -7.970  1.00 12.95 ? 156 LEU B O   1 
ATOM   1290 C CB  . LEU A 1 150 ? -19.717 -17.108 -9.225  1.00 12.66 ? 156 LEU B CB  1 
ATOM   1291 C CG  . LEU A 1 150 ? -20.268 -18.182 -10.179 1.00 12.45 ? 156 LEU B CG  1 
ATOM   1292 C CD1 . LEU A 1 150 ? -19.896 -17.910 -11.635 1.00 12.80 ? 156 LEU B CD1 1 
ATOM   1293 C CD2 . LEU A 1 150 ? -19.714 -19.580 -9.781  1.00 13.95 ? 156 LEU B CD2 1 
ATOM   1294 N N   . ILE A 1 151 ? -22.592 -15.636 -10.186 1.00 11.40 ? 157 ILE B N   1 
ATOM   1295 C CA  . ILE A 1 151 ? -24.046 -15.859 -10.220 1.00 12.26 ? 157 ILE B CA  1 
ATOM   1296 C C   . ILE A 1 151 ? -24.354 -17.288 -10.684 1.00 11.13 ? 157 ILE B C   1 
ATOM   1297 O O   . ILE A 1 151 ? -25.187 -17.979 -10.088 1.00 11.16 ? 157 ILE B O   1 
ATOM   1298 C CB  . ILE A 1 151 ? -24.721 -14.791 -11.099 1.00 12.68 ? 157 ILE B CB  1 
ATOM   1299 C CG1 . ILE A 1 151 ? -24.542 -13.385 -10.533 1.00 12.31 ? 157 ILE B CG1 1 
ATOM   1300 C CG2 . ILE A 1 151 ? -26.204 -15.107 -11.300 1.00 12.58 ? 157 ILE B CG2 1 
ATOM   1301 C CD1 . ILE A 1 151 ? -24.976 -12.276 -11.480 1.00 13.46 ? 157 ILE B CD1 1 
ATOM   1302 N N   . TYR A 1 152 ? -23.794 -17.689 -11.837 1.00 10.68 ? 158 TYR B N   1 
ATOM   1303 C CA  . TYR A 1 152 ? -24.178 -18.998 -12.415 1.00 10.37 ? 158 TYR B CA  1 
ATOM   1304 C C   . TYR A 1 152 ? -23.157 -19.407 -13.486 1.00 10.26 ? 158 TYR B C   1 
ATOM   1305 O O   . TYR A 1 152 ? -22.658 -18.525 -14.209 1.00 10.62 ? 158 TYR B O   1 
ATOM   1306 C CB  . TYR A 1 152 ? -25.552 -18.953 -13.138 1.00 10.92 ? 158 TYR B CB  1 
ATOM   1307 C CG  . TYR A 1 152 ? -26.087 -20.307 -13.479 1.00 10.41 ? 158 TYR B CG  1 
ATOM   1308 C CD1 . TYR A 1 152 ? -26.685 -21.119 -12.524 1.00 11.22 ? 158 TYR B CD1 1 
ATOM   1309 C CD2 . TYR A 1 152 ? -25.940 -20.822 -14.763 1.00 10.42 ? 158 TYR B CD2 1 
ATOM   1310 C CE1 . TYR A 1 152 ? -27.115 -22.394 -12.831 1.00 11.59 ? 158 TYR B CE1 1 
ATOM   1311 C CE2 . TYR A 1 152 ? -26.390 -22.094 -15.073 1.00 10.71 ? 158 TYR B CE2 1 
ATOM   1312 C CZ  . TYR A 1 152 ? -26.947 -22.901 -14.107 1.00 11.06 ? 158 TYR B CZ  1 
ATOM   1313 O OH  . TYR A 1 152 ? -27.368 -24.179 -14.349 1.00 13.32 ? 158 TYR B OH  1 
ATOM   1314 N N   . THR A 1 153 ? -22.855 -20.708 -13.561 1.00 10.35 ? 159 THR B N   1 
ATOM   1315 C CA  . THR A 1 153 ? -22.017 -21.314 -14.615 1.00 10.61 ? 159 THR B CA  1 
ATOM   1316 C C   . THR A 1 153 ? -22.792 -22.413 -15.300 1.00 10.79 ? 159 THR B C   1 
ATOM   1317 O O   . THR A 1 153 ? -23.177 -23.407 -14.687 1.00 11.94 ? 159 THR B O   1 
ATOM   1318 C CB  . THR A 1 153 ? -20.684 -21.851 -14.059 1.00 11.68 ? 159 THR B CB  1 
ATOM   1319 O OG1 . THR A 1 153 ? -19.895 -20.735 -13.671 1.00 11.86 ? 159 THR B OG1 1 
ATOM   1320 C CG2 . THR A 1 153 ? -19.928 -22.663 -15.102 1.00 12.28 ? 159 THR B CG2 1 
ATOM   1321 N N   . PHE A 1 154 ? -23.005 -22.235 -16.612 1.00 10.60 ? 160 PHE B N   1 
ATOM   1322 C CA  . PHE A 1 154 ? -23.416 -23.340 -17.507 1.00 11.02 ? 160 PHE B CA  1 
ATOM   1323 C C   . PHE A 1 154 ? -22.129 -24.037 -17.969 1.00 11.20 ? 160 PHE B C   1 
ATOM   1324 O O   . PHE A 1 154 ? -21.257 -23.386 -18.565 1.00 11.65 ? 160 PHE B O   1 
ATOM   1325 C CB  . PHE A 1 154 ? -24.071 -22.832 -18.781 1.00 11.36 ? 160 PHE B CB  1 
ATOM   1326 C CG  . PHE A 1 154 ? -25.446 -22.231 -18.622 1.00 9.91  ? 160 PHE B CG  1 
ATOM   1327 C CD1 . PHE A 1 154 ? -25.594 -20.877 -18.390 1.00 9.70  ? 160 PHE B CD1 1 
ATOM   1328 C CD2 . PHE A 1 154 ? -26.588 -22.984 -18.843 1.00 10.04 ? 160 PHE B CD2 1 
ATOM   1329 C CE1 . PHE A 1 154 ? -26.863 -20.322 -18.335 1.00 10.67 ? 160 PHE B CE1 1 
ATOM   1330 C CE2 . PHE A 1 154 ? -27.861 -22.421 -18.788 1.00 10.99 ? 160 PHE B CE2 1 
ATOM   1331 C CZ  . PHE A 1 154 ? -27.978 -21.085 -18.527 1.00 10.35 ? 160 PHE B CZ  1 
ATOM   1332 N N   . SER A 1 155 ? -22.015 -25.322 -17.653 1.00 13.35 ? 161 SER B N   1 
ATOM   1333 C CA  . SER A 1 155 ? -20.871 -26.101 -18.135 1.00 13.54 ? 161 SER B CA  1 
ATOM   1334 C C   . SER A 1 155 ? -21.361 -27.253 -19.002 1.00 13.11 ? 161 SER B C   1 
ATOM   1335 O O   . SER A 1 155 ? -22.570 -27.533 -19.075 1.00 14.41 ? 161 SER B O   1 
ATOM   1336 C CB  . SER A 1 155 ? -20.038 -26.544 -16.978 1.00 15.13 ? 161 SER B CB  1 
ATOM   1337 O OG  . SER A 1 155 ? -20.700 -27.490 -16.194 1.00 17.60 ? 161 SER B OG  1 
ATOM   1338 N N   . GLU A 1 156 ? -20.406 -27.891 -19.702 1.00 15.00 ? 162 GLU B N   1 
ATOM   1339 C CA  . GLU A 1 156 ? -20.735 -28.968 -20.670 1.00 15.68 ? 162 GLU B CA  1 
ATOM   1340 C C   . GLU A 1 156 ? -21.717 -28.426 -21.712 1.00 14.45 ? 162 GLU B C   1 
ATOM   1341 O O   . GLU A 1 156 ? -22.636 -29.159 -22.156 1.00 15.68 ? 162 GLU B O   1 
ATOM   1342 C CB  . GLU A 1 156 ? -21.374 -30.179 -19.996 1.00 19.69 ? 162 GLU B CB  1 
ATOM   1343 C CG  . GLU A 1 156 ? -20.674 -30.649 -18.740 1.00 25.41 ? 162 GLU B CG  1 
ATOM   1344 C CD  . GLU A 1 156 ? -21.247 -31.969 -18.263 1.00 36.04 ? 162 GLU B CD  1 
ATOM   1345 O OE1 . GLU A 1 156 ? -22.377 -31.971 -17.692 1.00 39.08 ? 162 GLU B OE1 1 
ATOM   1346 O OE2 . GLU A 1 156 ? -20.620 -33.003 -18.574 1.00 44.52 ? 162 GLU B OE2 1 
ATOM   1347 N N   . CYS A 1 157 ? -21.502 -27.178 -22.114 1.00 14.00 ? 163 CYS B N   1 
ATOM   1348 C CA  . CYS A 1 157 ? -22.378 -26.535 -23.119 1.00 12.31 ? 163 CYS B CA  1 
ATOM   1349 C C   . CYS A 1 157 ? -22.123 -27.163 -24.498 1.00 13.82 ? 163 CYS B C   1 
ATOM   1350 O O   . CYS A 1 157 ? -20.921 -27.410 -24.845 1.00 14.80 ? 163 CYS B O   1 
ATOM   1351 C CB  . CYS A 1 157 ? -22.138 -25.039 -23.243 1.00 12.02 ? 163 CYS B CB  1 
ATOM   1352 S SG  . CYS A 1 157 ? -22.585 -24.115 -21.742 1.00 13.48 ? 163 CYS B SG  1 
ATOM   1353 N N   . VAL A 1 158 ? -23.188 -27.426 -25.238 1.00 12.88 ? 164 VAL B N   1 
ATOM   1354 C CA  . VAL A 1 158 ? -23.034 -27.940 -26.612 1.00 14.09 ? 164 VAL B CA  1 
ATOM   1355 C C   . VAL A 1 158 ? -23.474 -26.808 -27.541 1.00 13.32 ? 164 VAL B C   1 
ATOM   1356 O O   . VAL A 1 158 ? -24.634 -26.737 -27.959 1.00 15.26 ? 164 VAL B O   1 
ATOM   1357 C CB  . VAL A 1 158 ? -23.783 -29.277 -26.769 1.00 16.64 ? 164 VAL B CB  1 
ATOM   1358 C CG1 . VAL A 1 158 ? -23.638 -29.755 -28.214 1.00 18.02 ? 164 VAL B CG1 1 
ATOM   1359 C CG2 . VAL A 1 158 ? -23.247 -30.316 -25.775 1.00 17.50 ? 164 VAL B CG2 1 
ATOM   1360 N N   . PHE A 1 159 ? -22.582 -25.881 -27.859 1.00 12.51 ? 165 PHE B N   1 
ATOM   1361 C CA  . PHE A 1 159 ? -22.946 -24.660 -28.606 1.00 13.19 ? 165 PHE B CA  1 
ATOM   1362 C C   . PHE A 1 159 ? -23.496 -25.024 -29.989 1.00 13.95 ? 165 PHE B C   1 
ATOM   1363 O O   . PHE A 1 159 ? -24.497 -24.446 -30.428 1.00 13.39 ? 165 PHE B O   1 
ATOM   1364 C CB  . PHE A 1 159 ? -21.776 -23.693 -28.622 1.00 13.29 ? 165 PHE B CB  1 
ATOM   1365 C CG  . PHE A 1 159 ? -21.332 -23.189 -27.267 1.00 11.90 ? 165 PHE B CG  1 
ATOM   1366 C CD1 . PHE A 1 159 ? -22.256 -22.664 -26.376 1.00 11.46 ? 165 PHE B CD1 1 
ATOM   1367 C CD2 . PHE A 1 159 ? -19.995 -23.220 -26.897 1.00 13.22 ? 165 PHE B CD2 1 
ATOM   1368 C CE1 . PHE A 1 159 ? -21.848 -22.227 -25.122 1.00 11.69 ? 165 PHE B CE1 1 
ATOM   1369 C CE2 . PHE A 1 159 ? -19.583 -22.723 -25.670 1.00 13.02 ? 165 PHE B CE2 1 
ATOM   1370 C CZ  . PHE A 1 159 ? -20.513 -22.217 -24.794 1.00 12.37 ? 165 PHE B CZ  1 
ATOM   1371 N N   . ALA A 1 160 ? -22.820 -25.928 -30.694 1.00 13.42 ? 166 ALA B N   1 
ATOM   1372 C CA  . ALA A 1 160 ? -23.299 -26.491 -31.977 1.00 13.36 ? 166 ALA B CA  1 
ATOM   1373 C C   . ALA A 1 160 ? -23.424 -25.403 -33.055 1.00 14.31 ? 166 ALA B C   1 
ATOM   1374 O O   . ALA A 1 160 ? -24.198 -25.606 -34.024 1.00 14.64 ? 166 ALA B O   1 
ATOM   1375 C CB  . ALA A 1 160 ? -24.561 -27.264 -31.799 1.00 13.80 ? 166 ALA B CB  1 
ATOM   1376 N N   . GLY A 1 161 ? -22.652 -24.341 -32.968 1.00 14.02 ? 167 GLY B N   1 
ATOM   1377 C CA  . GLY A 1 161 ? -22.649 -23.267 -33.975 1.00 14.24 ? 167 GLY B CA  1 
ATOM   1378 C C   . GLY A 1 161 ? -21.953 -22.021 -33.473 1.00 13.62 ? 167 GLY B C   1 
ATOM   1379 O O   . GLY A 1 161 ? -21.547 -21.952 -32.286 1.00 13.56 ? 167 GLY B O   1 
ATOM   1380 N N   . PRO A 1 162 ? -21.829 -20.994 -34.312 1.00 12.65 ? 168 PRO B N   1 
ATOM   1381 C CA  . PRO A 1 162 ? -21.343 -19.695 -33.870 1.00 12.08 ? 168 PRO B CA  1 
ATOM   1382 C C   . PRO A 1 162 ? -22.292 -19.134 -32.794 1.00 12.69 ? 168 PRO B C   1 
ATOM   1383 O O   . PRO A 1 162 ? -23.508 -19.351 -32.851 1.00 13.19 ? 168 PRO B O   1 
ATOM   1384 C CB  . PRO A 1 162 ? -21.349 -18.798 -35.114 1.00 12.67 ? 168 PRO B CB  1 
ATOM   1385 C CG  . PRO A 1 162 ? -21.458 -19.794 -36.263 1.00 12.81 ? 168 PRO B CG  1 
ATOM   1386 C CD  . PRO A 1 162 ? -22.206 -20.979 -35.732 1.00 11.90 ? 168 PRO B CD  1 
ATOM   1387 N N   . LEU A 1 163 ? -21.713 -18.379 -31.884 1.00 12.39 ? 169 LEU B N   1 
ATOM   1388 C CA  . LEU A 1 163 ? -22.495 -17.738 -30.782 1.00 12.11 ? 169 LEU B CA  1 
ATOM   1389 C C   . LEU A 1 163 ? -22.612 -16.245 -31.031 1.00 12.54 ? 169 LEU B C   1 
ATOM   1390 O O   . LEU A 1 163 ? -21.670 -15.615 -31.465 1.00 12.77 ? 169 LEU B O   1 
ATOM   1391 C CB  . LEU A 1 163 ? -21.831 -17.956 -29.417 1.00 12.58 ? 169 LEU B CB  1 
ATOM   1392 C CG  . LEU A 1 163 ? -21.836 -19.384 -28.882 1.00 13.15 ? 169 LEU B CG  1 
ATOM   1393 C CD1 . LEU A 1 163 ? -21.033 -19.446 -27.597 1.00 13.20 ? 169 LEU B CD1 1 
ATOM   1394 C CD2 . LEU A 1 163 ? -23.265 -19.864 -28.661 1.00 13.51 ? 169 LEU B CD2 1 
ATOM   1395 N N   . ARG A 1 164 ? -23.746 -15.681 -30.616 1.00 11.65 ? 170 ARG B N   1 
ATOM   1396 C CA  . ARG A 1 164 ? -23.957 -14.228 -30.603 1.00 11.61 ? 170 ARG B CA  1 
ATOM   1397 C C   . ARG A 1 164 ? -24.394 -13.738 -29.225 1.00 10.21 ? 170 ARG B C   1 
ATOM   1398 O O   . ARG A 1 164 ? -25.159 -14.423 -28.551 1.00 10.87 ? 170 ARG B O   1 
ATOM   1399 C CB  . ARG A 1 164 ? -25.001 -13.845 -31.657 1.00 12.98 ? 170 ARG B CB  1 
ATOM   1400 C CG  . ARG A 1 164 ? -24.511 -14.199 -33.059 1.00 13.80 ? 170 ARG B CG  1 
ATOM   1401 C CD  . ARG A 1 164 ? -25.425 -13.816 -34.201 1.00 16.07 ? 170 ARG B CD  1 
ATOM   1402 N NE  . ARG A 1 164 ? -25.537 -12.378 -34.266 1.00 14.70 ? 170 ARG B NE  1 
ATOM   1403 C CZ  . ARG A 1 164 ? -26.258 -11.749 -35.191 1.00 16.27 ? 170 ARG B CZ  1 
ATOM   1404 N NH1 . ARG A 1 164 ? -26.835 -12.452 -36.139 1.00 15.58 ? 170 ARG B NH1 1 
ATOM   1405 N NH2 . ARG A 1 164 ? -26.313 -10.426 -35.201 1.00 15.88 ? 170 ARG B NH2 1 
ATOM   1406 N N   . PRO A 1 165 ? -23.933 -12.552 -28.786 1.00 10.66 ? 171 PRO B N   1 
ATOM   1407 C CA  . PRO A 1 165 ? -24.480 -11.958 -27.556 1.00 10.09 ? 171 PRO B CA  1 
ATOM   1408 C C   . PRO A 1 165 ? -25.994 -11.784 -27.715 1.00 10.75 ? 171 PRO B C   1 
ATOM   1409 O O   . PRO A 1 165 ? -26.478 -11.446 -28.780 1.00 10.72 ? 171 PRO B O   1 
ATOM   1410 C CB  . PRO A 1 165 ? -23.803 -10.595 -27.449 1.00 10.90 ? 171 PRO B CB  1 
ATOM   1411 C CG  . PRO A 1 165 ? -22.490 -10.774 -28.261 1.00 12.29 ? 171 PRO B CG  1 
ATOM   1412 C CD  . PRO A 1 165 ? -22.925 -11.677 -29.389 1.00 12.23 ? 171 PRO B CD  1 
ATOM   1413 N N   . PHE A 1 166 ? -26.730 -12.056 -26.637 1.00 9.75  ? 172 PHE B N   1 
ATOM   1414 C CA  . PHE A 1 166 ? -28.202 -12.088 -26.611 1.00 10.13 ? 172 PHE B CA  1 
ATOM   1415 C C   . PHE A 1 166 ? -28.740 -11.149 -25.526 1.00 9.57  ? 172 PHE B C   1 
ATOM   1416 O O   . PHE A 1 166 ? -28.240 -11.134 -24.390 1.00 9.04  ? 172 PHE B O   1 
ATOM   1417 C CB  . PHE A 1 166 ? -28.694 -13.518 -26.366 1.00 10.33 ? 172 PHE B CB  1 
ATOM   1418 C CG  . PHE A 1 166 ? -30.194 -13.591 -26.177 1.00 10.61 ? 172 PHE B CG  1 
ATOM   1419 C CD1 . PHE A 1 166 ? -31.049 -13.575 -27.269 1.00 11.58 ? 172 PHE B CD1 1 
ATOM   1420 C CD2 . PHE A 1 166 ? -30.763 -13.604 -24.907 1.00 11.14 ? 172 PHE B CD2 1 
ATOM   1421 C CE1 . PHE A 1 166 ? -32.431 -13.624 -27.086 1.00 11.48 ? 172 PHE B CE1 1 
ATOM   1422 C CE2 . PHE A 1 166 ? -32.136 -13.636 -24.733 1.00 11.27 ? 172 PHE B CE2 1 
ATOM   1423 C CZ  . PHE A 1 166 ? -32.965 -13.664 -25.820 1.00 11.14 ? 172 PHE B CZ  1 
ATOM   1424 N N   . PHE A 1 167 ? -29.807 -10.398 -25.864 1.00 9.51  ? 173 PHE B N   1 
ATOM   1425 C CA  . PHE A 1 167 ? -30.420 -9.385  -24.977 1.00 10.00 ? 173 PHE B CA  1 
ATOM   1426 C C   . PHE A 1 167 ? -31.929 -9.454  -25.079 1.00 10.76 ? 173 PHE B C   1 
ATOM   1427 O O   . PHE A 1 167 ? -32.439 -9.501  -26.203 1.00 10.82 ? 173 PHE B O   1 
ATOM   1428 C CB  . PHE A 1 167 ? -29.955 -7.963  -25.345 1.00 10.47 ? 173 PHE B CB  1 
ATOM   1429 C CG  . PHE A 1 167 ? -28.457 -7.798  -25.474 1.00 10.78 ? 173 PHE B CG  1 
ATOM   1430 C CD1 . PHE A 1 167 ? -27.824 -8.115  -26.667 1.00 10.74 ? 173 PHE B CD1 1 
ATOM   1431 C CD2 . PHE A 1 167 ? -27.680 -7.345  -24.413 1.00 11.56 ? 173 PHE B CD2 1 
ATOM   1432 C CE1 . PHE A 1 167 ? -26.431 -8.065  -26.787 1.00 11.18 ? 173 PHE B CE1 1 
ATOM   1433 C CE2 . PHE A 1 167 ? -26.307 -7.213  -24.564 1.00 11.84 ? 173 PHE B CE2 1 
ATOM   1434 C CZ  . PHE A 1 167 ? -25.682 -7.597  -25.743 1.00 12.03 ? 173 PHE B CZ  1 
ATOM   1435 N N   . ASN A 1 168 ? -32.600 -9.256  -23.939 1.00 10.33 ? 174 ASN B N   1 
ATOM   1436 C CA  . ASN A 1 168 ? -34.056 -8.992  -23.925 1.00 10.02 ? 174 ASN B CA  1 
ATOM   1437 C C   . ASN A 1 168 ? -34.278 -7.843  -22.949 1.00 10.04 ? 174 ASN B C   1 
ATOM   1438 O O   . ASN A 1 168 ? -33.963 -8.033  -21.750 1.00 10.64 ? 174 ASN B O   1 
ATOM   1439 C CB  . ASN A 1 168 ? -34.852 -10.238 -23.544 1.00 10.46 ? 174 ASN B CB  1 
ATOM   1440 C CG  . ASN A 1 168 ? -36.347 -10.033 -23.596 1.00 12.49 ? 174 ASN B CG  1 
ATOM   1441 O OD1 . ASN A 1 168 ? -36.833 -8.968  -23.885 1.00 13.13 ? 174 ASN B OD1 1 
ATOM   1442 N ND2 . ASN A 1 168 ? -37.074 -11.105 -23.329 1.00 14.24 ? 174 ASN B ND2 1 
ATOM   1443 N N   . VAL A 1 169 ? -34.814 -6.700  -23.418 1.00 10.69 ? 175 VAL B N   1 
ATOM   1444 C CA  . VAL A 1 169 ? -35.042 -5.546  -22.504 1.00 11.77 ? 175 VAL B CA  1 
ATOM   1445 C C   . VAL A 1 169 ? -36.284 -5.794  -21.643 1.00 11.21 ? 175 VAL B C   1 
ATOM   1446 O O   . VAL A 1 169 ? -36.545 -4.988  -20.726 1.00 12.57 ? 175 VAL B O   1 
ATOM   1447 C CB  . VAL A 1 169 ? -35.166 -4.198  -23.242 1.00 12.68 ? 175 VAL B CB  1 
ATOM   1448 C CG1 . VAL A 1 169 ? -33.877 -3.860  -23.919 1.00 13.35 ? 175 VAL B CG1 1 
ATOM   1449 C CG2 . VAL A 1 169 ? -36.330 -4.153  -24.229 1.00 13.51 ? 175 VAL B CG2 1 
ATOM   1450 N N   . GLY A 1 170 ? -37.101 -6.798  -22.009 1.00 11.21 ? 176 GLY B N   1 
ATOM   1451 C CA  . GLY A 1 170 ? -38.372 -7.080  -21.306 1.00 12.20 ? 176 GLY B CA  1 
ATOM   1452 C C   . GLY A 1 170 ? -39.506 -6.158  -21.693 1.00 11.58 ? 176 GLY B C   1 
ATOM   1453 O O   . GLY A 1 170 ? -39.293 -5.083  -22.260 1.00 11.39 ? 176 GLY B O   1 
ATOM   1454 N N   . PHE A 1 171 ? -40.716 -6.582  -21.358 1.00 12.60 ? 177 PHE B N   1 
ATOM   1455 C CA  . PHE A 1 171 ? -41.924 -5.758  -21.561 1.00 12.02 ? 177 PHE B CA  1 
ATOM   1456 C C   . PHE A 1 171 ? -41.963 -4.650  -20.532 1.00 12.79 ? 177 PHE B C   1 
ATOM   1457 O O   . PHE A 1 171 ? -41.232 -4.659  -19.550 1.00 11.25 ? 177 PHE B O   1 
ATOM   1458 C CB  . PHE A 1 171 ? -43.178 -6.626  -21.577 1.00 13.59 ? 177 PHE B CB  1 
ATOM   1459 C CG  . PHE A 1 171 ? -43.275 -7.549  -22.765 1.00 15.63 ? 177 PHE B CG  1 
ATOM   1460 C CD1 . PHE A 1 171 ? -43.524 -7.044  -24.025 1.00 18.59 ? 177 PHE B CD1 1 
ATOM   1461 C CD2 . PHE A 1 171 ? -43.116 -8.908  -22.607 1.00 17.95 ? 177 PHE B CD2 1 
ATOM   1462 C CE1 . PHE A 1 171 ? -43.621 -7.901  -25.122 1.00 19.89 ? 177 PHE B CE1 1 
ATOM   1463 C CE2 . PHE A 1 171 ? -43.227 -9.763  -23.696 1.00 18.79 ? 177 PHE B CE2 1 
ATOM   1464 C CZ  . PHE A 1 171 ? -43.476 -9.250  -24.925 1.00 18.06 ? 177 PHE B CZ  1 
ATOM   1465 N N   . ASN A 1 172 ? -42.863 -3.706  -20.751 1.00 12.29 ? 178 ASN B N   1 
ATOM   1466 C CA  . ASN A 1 172 ? -43.016 -2.581  -19.794 1.00 10.99 ? 178 ASN B CA  1 
ATOM   1467 C C   . ASN A 1 172 ? -44.521 -2.377  -19.555 1.00 11.83 ? 178 ASN B C   1 
ATOM   1468 O O   . ASN A 1 172 ? -45.013 -1.227  -19.642 1.00 13.60 ? 178 ASN B O   1 
ATOM   1469 C CB  . ASN A 1 172 ? -42.339 -1.315  -20.285 1.00 11.90 ? 178 ASN B CB  1 
ATOM   1470 C CG  . ASN A 1 172 ? -42.394 -0.203  -19.273 1.00 12.64 ? 178 ASN B CG  1 
ATOM   1471 O OD1 . ASN A 1 172 ? -42.412 -0.424  -18.073 1.00 12.49 ? 178 ASN B OD1 1 
ATOM   1472 N ND2 . ASN A 1 172 ? -42.370 1.032   -19.749 1.00 14.61 ? 178 ASN B ND2 1 
ATOM   1473 N N   . TYR A 1 173 ? -45.221 -3.433  -19.200 1.00 12.53 ? 179 TYR B N   1 
ATOM   1474 C CA  . TYR A 1 173 ? -46.658 -3.350  -18.814 1.00 12.44 ? 179 TYR B CA  1 
ATOM   1475 C C   . TYR A 1 173 ? -46.807 -2.565  -17.508 1.00 13.60 ? 179 TYR B C   1 
ATOM   1476 O O   . TYR A 1 173 ? -47.898 -1.954  -17.278 1.00 14.22 ? 179 TYR B O   1 
ATOM   1477 C CB  . TYR A 1 173 ? -47.248 -4.759  -18.688 1.00 13.72 ? 179 TYR B CB  1 
ATOM   1478 C CG  . TYR A 1 173 ? -47.340 -5.527  -19.980 1.00 16.23 ? 179 TYR B CG  1 
ATOM   1479 C CD1 . TYR A 1 173 ? -48.216 -5.121  -20.977 1.00 20.94 ? 179 TYR B CD1 1 
ATOM   1480 C CD2 . TYR A 1 173 ? -46.555 -6.637  -20.196 1.00 18.50 ? 179 TYR B CD2 1 
ATOM   1481 C CE1 . TYR A 1 173 ? -48.287 -5.786  -22.200 1.00 21.04 ? 179 TYR B CE1 1 
ATOM   1482 C CE2 . TYR A 1 173 ? -46.635 -7.322  -21.408 1.00 18.62 ? 179 TYR B CE2 1 
ATOM   1483 C CZ  . TYR A 1 173 ? -47.486 -6.884  -22.403 1.00 20.39 ? 179 TYR B CZ  1 
ATOM   1484 O OH  . TYR A 1 173 ? -47.592 -7.568  -23.594 1.00 25.33 ? 179 TYR B OH  1 
ATOM   1485 N N   . SER A 1 174 ? -45.821 -2.564  -16.624 1.00 12.16 ? 180 SER B N   1 
ATOM   1486 C CA  . SER A 1 174 ? -45.928 -1.999  -15.257 1.00 13.25 ? 180 SER B CA  1 
ATOM   1487 C C   . SER A 1 174 ? -45.621 -0.498  -15.260 1.00 13.35 ? 180 SER B C   1 
ATOM   1488 O O   . SER A 1 174 ? -45.871 0.156   -14.236 1.00 14.72 ? 180 SER B O   1 
ATOM   1489 C CB  . SER A 1 174 ? -44.959 -2.633  -14.306 1.00 13.77 ? 180 SER B CB  1 
ATOM   1490 O OG  . SER A 1 174 ? -43.605 -2.394  -14.728 1.00 14.11 ? 180 SER B OG  1 
ATOM   1491 N N   . GLY A 1 175 ? -44.994 -0.001  -16.308 1.00 12.54 ? 181 GLY B N   1 
ATOM   1492 C CA  . GLY A 1 175 ? -44.465 1.375   -16.283 1.00 12.20 ? 181 GLY B CA  1 
ATOM   1493 C C   . GLY A 1 175 ? -43.195 1.510   -15.480 1.00 13.73 ? 181 GLY B C   1 
ATOM   1494 O O   . GLY A 1 175 ? -42.664 2.640   -15.407 1.00 15.50 ? 181 GLY B O   1 
ATOM   1495 N N   . GLY A 1 176 ? -42.653 0.418   -14.934 1.00 13.24 ? 182 GLY B N   1 
ATOM   1496 C CA  . GLY A 1 176 ? -41.420 0.461   -14.132 1.00 12.67 ? 182 GLY B CA  1 
ATOM   1497 C C   . GLY A 1 176 ? -40.212 -0.163  -14.842 1.00 13.71 ? 182 GLY B C   1 
ATOM   1498 O O   . GLY A 1 176 ? -39.159 -0.247  -14.189 1.00 14.21 ? 182 GLY B O   1 
ATOM   1499 N N   . ASN A 1 177 ? -40.344 -0.560  -16.108 1.00 11.26 ? 183 ASN B N   1 
ATOM   1500 C CA  . ASN A 1 177 ? -39.266 -1.286  -16.815 1.00 11.23 ? 183 ASN B CA  1 
ATOM   1501 C C   . ASN A 1 177 ? -38.842 -0.576  -18.106 1.00 11.60 ? 183 ASN B C   1 
ATOM   1502 O O   . ASN A 1 177 ? -38.313 -1.242  -18.991 1.00 12.45 ? 183 ASN B O   1 
ATOM   1503 C CB  . ASN A 1 177 ? -39.643 -2.731  -17.126 1.00 11.21 ? 183 ASN B CB  1 
ATOM   1504 C CG  . ASN A 1 177 ? -38.417 -3.564  -17.445 1.00 11.01 ? 183 ASN B CG  1 
ATOM   1505 O OD1 . ASN A 1 177 ? -37.390 -3.384  -16.810 1.00 11.59 ? 183 ASN B OD1 1 
ATOM   1506 N ND2 . ASN A 1 177 ? -38.570 -4.501  -18.356 1.00 11.81 ? 183 ASN B ND2 1 
ATOM   1507 N N   . ALA A 1 178 ? -38.909 0.749   -18.177 1.00 12.09 ? 184 ALA B N   1 
ATOM   1508 C CA  . ALA A 1 178 ? -38.544 1.478   -19.419 1.00 12.16 ? 184 ALA B CA  1 
ATOM   1509 C C   . ALA A 1 178 ? -37.023 1.601   -19.576 1.00 12.15 ? 184 ALA B C   1 
ATOM   1510 O O   . ALA A 1 178 ? -36.585 1.903   -20.709 1.00 14.05 ? 184 ALA B O   1 
ATOM   1511 C CB  . ALA A 1 178 ? -39.160 2.887   -19.416 1.00 12.60 ? 184 ALA B CB  1 
ATOM   1512 N N   . ALA A 1 179 ? -36.248 1.451   -18.497 1.00 12.78 ? 185 ALA B N   1 
ATOM   1513 C CA  . ALA A 1 179 ? -34.795 1.746   -18.558 1.00 12.72 ? 185 ALA B CA  1 
ATOM   1514 C C   . ALA A 1 179 ? -34.124 0.858   -19.613 1.00 12.80 ? 185 ALA B C   1 
ATOM   1515 O O   . ALA A 1 179 ? -34.516 -0.298  -19.842 1.00 12.15 ? 185 ALA B O   1 
ATOM   1516 C CB  . ALA A 1 179 ? -34.172 1.584   -17.200 1.00 12.79 ? 185 ALA B CB  1 
ATOM   1517 N N   . PRO A 1 180 ? -33.042 1.370   -20.233 1.00 12.53 ? 186 PRO B N   1 
ATOM   1518 C CA  . PRO A 1 180 ? -32.298 0.604   -21.233 1.00 12.05 ? 186 PRO B CA  1 
ATOM   1519 C C   . PRO A 1 180 ? -31.384 -0.502  -20.657 1.00 11.51 ? 186 PRO B C   1 
ATOM   1520 O O   . PRO A 1 180 ? -31.041 -0.451  -19.475 1.00 11.95 ? 186 PRO B O   1 
ATOM   1521 C CB  . PRO A 1 180 ? -31.401 1.681   -21.860 1.00 13.31 ? 186 PRO B CB  1 
ATOM   1522 C CG  . PRO A 1 180 ? -31.132 2.627   -20.741 1.00 14.96 ? 186 PRO B CG  1 
ATOM   1523 C CD  . PRO A 1 180 ? -32.463 2.711   -19.992 1.00 14.65 ? 186 PRO B CD  1 
ATOM   1524 N N   . LEU A 1 181 ? -31.006 -1.467  -21.501 1.00 11.68 ? 187 LEU B N   1 
ATOM   1525 C CA  . LEU A 1 181 ? -29.760 -2.232  -21.304 1.00 11.48 ? 187 LEU B CA  1 
ATOM   1526 C C   . LEU A 1 181 ? -28.626 -1.424  -21.940 1.00 12.09 ? 187 LEU B C   1 
ATOM   1527 O O   . LEU A 1 181 ? -28.809 -0.929  -23.091 1.00 13.78 ? 187 LEU B O   1 
ATOM   1528 C CB  . LEU A 1 181 ? -29.900 -3.605  -21.942 1.00 12.00 ? 187 LEU B CB  1 
ATOM   1529 C CG  . LEU A 1 181 ? -30.939 -4.541  -21.343 1.00 12.63 ? 187 LEU B CG  1 
ATOM   1530 C CD1 . LEU A 1 181 ? -31.091 -5.800  -22.175 1.00 13.71 ? 187 LEU B CD1 1 
ATOM   1531 C CD2 . LEU A 1 181 ? -30.590 -4.902  -19.916 1.00 14.14 ? 187 LEU B CD2 1 
ATOM   1532 N N   . LYS A 1 182 ? -27.478 -1.355  -21.278 1.00 12.25 ? 188 LYS B N   1 
ATOM   1533 C CA  . LYS A 1 182 ? -26.311 -0.615  -21.831 1.00 12.89 ? 188 LYS B CA  1 
ATOM   1534 C C   . LYS A 1 182 ? -25.082 -1.506  -21.802 1.00 13.23 ? 188 LYS B C   1 
ATOM   1535 O O   . LYS A 1 182 ? -24.745 -2.036  -20.707 1.00 13.30 ? 188 LYS B O   1 
ATOM   1536 C CB  . LYS A 1 182 ? -26.045 0.680   -21.058 1.00 14.87 ? 188 LYS B CB  1 
ATOM   1537 C CG  . LYS A 1 182 ? -27.230 1.602   -20.843 1.00 18.21 ? 188 LYS B CG  1 
ATOM   1538 C CD  . LYS A 1 182 ? -26.794 2.911   -20.217 1.00 22.91 ? 188 LYS B CD  1 
ATOM   1539 C CE  . LYS A 1 182 ? -27.930 3.818   -19.814 1.00 28.39 ? 188 LYS B CE  1 
ATOM   1540 N NZ  . LYS A 1 182 ? -27.407 4.949   -19.004 1.00 35.12 ? 188 LYS B NZ  1 
ATOM   1541 N N   . LEU A 1 183 ? -24.359 -1.559  -22.890 1.00 13.47 ? 189 LEU B N   1 
ATOM   1542 C CA  . LEU A 1 183 ? -23.023 -2.215  -22.900 1.00 13.14 ? 189 LEU B CA  1 
ATOM   1543 C C   . LEU A 1 183 ? -22.035 -1.252  -22.248 1.00 15.00 ? 189 LEU B C   1 
ATOM   1544 O O   . LEU A 1 183 ? -21.880 -0.108  -22.754 1.00 17.93 ? 189 LEU B O   1 
ATOM   1545 C CB  . LEU A 1 183 ? -22.673 -2.600  -24.335 1.00 14.25 ? 189 LEU B CB  1 
ATOM   1546 C CG  . LEU A 1 183 ? -23.438 -3.860  -24.768 1.00 15.54 ? 189 LEU B CG  1 
ATOM   1547 C CD1 . LEU A 1 183 ? -23.644 -3.953  -26.270 1.00 19.87 ? 189 LEU B CD1 1 
ATOM   1548 C CD2 . LEU A 1 183 ? -22.758 -5.125  -24.235 1.00 14.16 ? 189 LEU B CD2 1 
ATOM   1549 N N   . CYS A 1 184 ? -21.384 -1.692  -21.182 1.00 17.02 ? 190 CYS B N   1 
ATOM   1550 C CA  . CYS A 1 184 ? -20.517 -0.822  -20.335 1.00 19.93 ? 190 CYS B CA  1 
ATOM   1551 C C   . CYS A 1 184 ? -19.143 -0.771  -20.956 1.00 22.09 ? 190 CYS B C   1 
ATOM   1552 O O   . CYS A 1 184 ? -18.667 -1.764  -21.464 1.00 22.45 ? 190 CYS B O   1 
ATOM   1553 C CB  . CYS A 1 184 ? -20.196 -1.404  -18.973 1.00 21.71 ? 190 CYS B CB  1 
ATOM   1554 S SG  . CYS A 1 184 ? -21.605 -2.025  -18.060 1.00 21.92 ? 190 CYS B SG  1 
ATOM   1555 N N   . PRO A 1 185 ? -18.450 0.372   -20.836 1.00 28.47 ? 191 PRO B N   1 
ATOM   1556 C CA  . PRO A 1 185 ? -17.128 0.521   -21.410 1.00 33.76 ? 191 PRO B CA  1 
ATOM   1557 C C   . PRO A 1 185 ? -16.147 -0.372  -20.650 1.00 31.97 ? 191 PRO B C   1 
ATOM   1558 O O   . PRO A 1 185 ? -16.356 -0.616  -19.451 1.00 32.21 ? 191 PRO B O   1 
ATOM   1559 C CB  . PRO A 1 185 ? -16.846 2.032   -21.256 1.00 33.14 ? 191 PRO B CB  1 
ATOM   1560 C CG  . PRO A 1 185 ? -17.719 2.471   -20.097 1.00 32.92 ? 191 PRO B CG  1 
ATOM   1561 C CD  . PRO A 1 185 ? -18.947 1.595   -20.181 1.00 29.37 ? 191 PRO B CD  1 
ATOM   1562 N N   . LEU A 1 186 ? -15.167 -0.844  -21.419 1.00 37.64 ? 192 LEU B N   1 
ATOM   1563 C CA  . LEU A 1 186 ? -13.882 -1.484  -21.039 1.00 39.72 ? 192 LEU B CA  1 
ATOM   1564 C C   . LEU A 1 186 ? -13.049 -0.508  -20.208 1.00 44.16 ? 192 LEU B C   1 
ATOM   1565 O O   . LEU A 1 186 ? -12.286 -1.029  -19.386 1.00 53.78 ? 192 LEU B O   1 
ATOM   1566 C CB  . LEU A 1 186 ? -13.151 -1.850  -22.338 1.00 39.14 ? 192 LEU B CB  1 
HETATM 1567 C C1  . U78 B 2 .   ? -49.116 2.281   -22.913 0.62 23.59 ? 201 U78 B C1  1 
HETATM 1568 C C2  . U78 B 2 .   ? -49.925 3.318   -23.623 0.62 23.33 ? 201 U78 B C2  1 
HETATM 1569 O O1  . U78 B 2 .   ? -50.950 3.778   -23.111 0.62 21.84 ? 201 U78 B O1  1 
HETATM 1570 N N1  . U78 B 2 .   ? -49.481 3.678   -24.843 0.62 25.65 ? 201 U78 B N1  1 
HETATM 1571 C C3  . U78 B 2 .   ? -49.936 4.867   -25.563 0.62 25.48 ? 201 U78 B C3  1 
HETATM 1572 C C4  . U78 B 2 .   ? -49.354 5.012   -26.974 0.62 25.79 ? 201 U78 B C4  1 
HETATM 1573 C C5  . U78 B 2 .   ? -50.157 5.986   -27.819 0.62 23.66 ? 201 U78 B C5  1 
HETATM 1574 C C6  . U78 B 2 .   ? -51.271 5.515   -28.508 0.62 23.76 ? 201 U78 B C6  1 
HETATM 1575 C C7  . U78 B 2 .   ? -52.082 6.357   -29.239 0.62 23.56 ? 201 U78 B C7  1 
HETATM 1576 C C8  . U78 B 2 .   ? -51.780 7.697   -29.316 0.62 23.88 ? 201 U78 B C8  1 
HETATM 1577 C C9  . U78 B 2 .   ? -50.668 8.187   -28.660 0.62 23.03 ? 201 U78 B C9  1 
HETATM 1578 C C10 . U78 B 2 .   ? -49.850 7.363   -27.903 0.62 23.22 ? 201 U78 B C10 1 
HETATM 1579 C C11 . U78 B 2 .   ? -48.653 7.994   -27.208 0.62 22.59 ? 201 U78 B C11 1 
HETATM 1580 C C1  . EDO C 3 .   ? -50.478 -16.967 -33.321 1.00 35.84 ? 202 EDO B C1  1 
HETATM 1581 O O1  . EDO C 3 .   ? -49.149 -16.494 -33.233 1.00 30.97 ? 202 EDO B O1  1 
HETATM 1582 C C2  . EDO C 3 .   ? -51.070 -17.162 -31.997 1.00 35.04 ? 202 EDO B C2  1 
HETATM 1583 O O2  . EDO C 3 .   ? -51.269 -15.909 -31.416 1.00 42.11 ? 202 EDO B O2  1 
HETATM 1584 S S   . SO4 D 4 .   ? -40.414 -24.549 -26.257 1.00 39.81 ? 203 SO4 B S   1 
HETATM 1585 O O1  . SO4 D 4 .   ? -39.699 -23.594 -27.045 1.00 24.79 ? 203 SO4 B O1  1 
HETATM 1586 O O2  . SO4 D 4 .   ? -41.331 -25.264 -27.088 1.00 43.58 ? 203 SO4 B O2  1 
HETATM 1587 O O3  . SO4 D 4 .   ? -39.467 -25.473 -25.657 1.00 44.98 ? 203 SO4 B O3  1 
HETATM 1588 O O4  . SO4 D 4 .   ? -41.156 -23.888 -25.207 1.00 41.97 ? 203 SO4 B O4  1 
HETATM 1589 O O   . HOH E 5 .   ? -26.901 -28.436 -27.928 1.00 19.96 ? 301 HOH B O   1 
HETATM 1590 O O   . HOH E 5 .   ? -22.646 -1.805  -9.810  1.00 26.12 ? 302 HOH B O   1 
HETATM 1591 O O   . HOH E 5 .   ? -46.124 3.788   -34.285 1.00 30.62 ? 303 HOH B O   1 
HETATM 1592 O O   . HOH E 5 .   ? -41.234 5.396   -28.678 1.00 24.54 ? 304 HOH B O   1 
HETATM 1593 O O   . HOH E 5 .   ? -13.440 -23.559 -31.663 1.00 15.04 ? 305 HOH B O   1 
HETATM 1594 O O   . HOH E 5 .   ? -29.625 -12.537 -37.834 1.00 21.04 ? 306 HOH B O   1 
HETATM 1595 O O   . HOH E 5 .   ? -38.636 -15.315 -11.726 1.00 33.26 ? 307 HOH B O   1 
HETATM 1596 O O   . HOH E 5 .   ? -36.820 -16.302 -39.409 1.00 28.12 ? 308 HOH B O   1 
HETATM 1597 O O   . HOH E 5 .   ? -39.979 -1.078  -9.654  1.00 30.57 ? 309 HOH B O   1 
HETATM 1598 O O   . HOH E 5 .   ? -32.917 1.134   -33.552 1.00 20.85 ? 310 HOH B O   1 
HETATM 1599 O O   . HOH E 5 .   ? -38.183 0.668   -11.994 1.00 39.21 ? 311 HOH B O   1 
HETATM 1600 O O   . HOH E 5 .   ? -45.325 0.142   -11.719 1.00 36.15 ? 312 HOH B O   1 
HETATM 1601 O O   . HOH E 5 .   ? -35.851 -22.473 -19.607 1.00 24.66 ? 313 HOH B O   1 
HETATM 1602 O O   . HOH E 5 .   ? -26.184 3.388   -35.326 1.00 33.55 ? 314 HOH B O   1 
HETATM 1603 O O   . HOH E 5 .   ? -38.017 2.790   -22.777 1.00 18.30 ? 315 HOH B O   1 
HETATM 1604 O O   . HOH E 5 .   ? -47.103 -16.964 -31.711 1.00 21.59 ? 316 HOH B O   1 
HETATM 1605 O O   . HOH E 5 .   ? -41.342 -7.859  -3.592  1.00 40.86 ? 317 HOH B O   1 
HETATM 1606 O O   . HOH E 5 .   ? -15.630 -5.344  -13.698 1.00 29.57 ? 318 HOH B O   1 
HETATM 1607 O O   . HOH E 5 .   ? -24.491 -30.993 -22.028 1.00 34.56 ? 319 HOH B O   1 
HETATM 1608 O O   . HOH E 5 .   ? -19.604 -29.775 -15.558 1.00 25.93 ? 320 HOH B O   1 
HETATM 1609 O O   . HOH E 5 .   ? -18.677 -21.967 -35.867 1.00 17.06 ? 321 HOH B O   1 
HETATM 1610 O O   . HOH E 5 .   ? -36.728 -25.834 -23.761 1.00 32.15 ? 322 HOH B O   1 
HETATM 1611 O O   . HOH E 5 .   ? -38.166 3.752   -41.907 1.00 29.36 ? 323 HOH B O   1 
HETATM 1612 O O   . HOH E 5 .   ? -26.018 -22.601 -36.088 1.00 29.61 ? 324 HOH B O   1 
HETATM 1613 O O   . HOH E 5 .   ? -35.529 -17.104 -8.344  1.00 42.18 ? 325 HOH B O   1 
HETATM 1614 O O   . HOH E 5 .   ? -32.940 -18.216 -37.220 1.00 33.07 ? 326 HOH B O   1 
HETATM 1615 O O   . HOH E 5 .   ? -45.328 7.238   -24.736 1.00 38.41 ? 327 HOH B O   1 
HETATM 1616 O O   . HOH E 5 .   ? -17.603 -21.336 -12.476 1.00 17.34 ? 328 HOH B O   1 
HETATM 1617 O O   . HOH E 5 .   ? -30.800 -6.689  -11.371 1.00 14.03 ? 329 HOH B O   1 
HETATM 1618 O O   . HOH E 5 .   ? -47.229 1.526   -25.567 1.00 31.88 ? 330 HOH B O   1 
HETATM 1619 O O   . HOH E 5 .   ? -45.281 -12.309 -26.802 1.00 33.19 ? 331 HOH B O   1 
HETATM 1620 O O   . HOH E 5 .   ? -32.292 4.744   -32.995 1.00 25.04 ? 332 HOH B O   1 
HETATM 1621 O O   . HOH E 5 .   ? -35.765 -19.106 -30.468 1.00 34.48 ? 333 HOH B O   1 
HETATM 1622 O O   . HOH E 5 .   ? -37.869 -14.558 -21.514 1.00 34.44 ? 334 HOH B O   1 
HETATM 1623 O O   . HOH E 5 .   ? -49.716 -1.826  -19.227 1.00 26.17 ? 335 HOH B O   1 
HETATM 1624 O O   . HOH E 5 .   ? -40.667 -14.374 -8.359  1.00 30.02 ? 336 HOH B O   1 
HETATM 1625 O O   . HOH E 5 .   ? -16.174 -19.647 -15.683 1.00 25.03 ? 337 HOH B O   1 
HETATM 1626 O O   . HOH E 5 .   ? -21.305 -6.057  -2.095  1.00 38.42 ? 338 HOH B O   1 
HETATM 1627 O O   . HOH E 5 .   ? -12.689 -21.401 -18.688 1.00 28.49 ? 339 HOH B O   1 
HETATM 1628 O O   . HOH E 5 .   ? -41.081 -9.431  -36.851 1.00 31.96 ? 340 HOH B O   1 
HETATM 1629 O O   . HOH E 5 .   ? -18.485 -4.650  -24.812 1.00 16.71 ? 341 HOH B O   1 
HETATM 1630 O O   . HOH E 5 .   ? -19.384 -4.293  -22.114 1.00 15.19 ? 342 HOH B O   1 
HETATM 1631 O O   . HOH E 5 .   ? -36.526 -22.984 -30.813 1.00 33.41 ? 343 HOH B O   1 
HETATM 1632 O O   . HOH E 5 .   ? -37.339 -25.480 -11.421 1.00 38.82 ? 344 HOH B O   1 
HETATM 1633 O O   . HOH E 5 .   ? -30.812 -20.320 -21.383 1.00 12.45 ? 345 HOH B O   1 
HETATM 1634 O O   . HOH E 5 .   ? -26.543 2.054   -11.173 1.00 26.27 ? 346 HOH B O   1 
HETATM 1635 O O   . HOH E 5 .   ? -9.020  -13.460 -25.275 1.00 31.29 ? 347 HOH B O   1 
HETATM 1636 O O   . HOH E 5 .   ? -23.848 1.206   -10.789 1.00 30.46 ? 348 HOH B O   1 
HETATM 1637 O O   . HOH E 5 .   ? -38.517 -7.578  -10.792 1.00 15.26 ? 349 HOH B O   1 
HETATM 1638 O O   . HOH E 5 .   ? -10.991 -21.170 -25.219 1.00 31.24 ? 350 HOH B O   1 
HETATM 1639 O O   . HOH E 5 .   ? -26.489 -25.745 -16.413 1.00 16.13 ? 351 HOH B O   1 
HETATM 1640 O O   . HOH E 5 .   ? -34.072 -22.014 -31.455 1.00 18.05 ? 352 HOH B O   1 
HETATM 1641 O O   . HOH E 5 .   ? -44.975 -7.870  -39.026 1.00 15.30 ? 353 HOH B O   1 
HETATM 1642 O O   . HOH E 5 .   ? -38.748 -2.470  -21.403 1.00 13.78 ? 354 HOH B O   1 
HETATM 1643 O O   . HOH E 5 .   ? -19.833 1.832   -30.555 1.00 32.41 ? 355 HOH B O   1 
HETATM 1644 O O   . HOH E 5 .   ? -42.553 -5.678  -12.266 1.00 21.55 ? 356 HOH B O   1 
HETATM 1645 O O   . HOH E 5 .   ? -36.189 -1.806  -33.881 1.00 18.30 ? 357 HOH B O   1 
HETATM 1646 O O   . HOH E 5 .   ? -17.555 -27.647 -19.650 1.00 16.96 ? 358 HOH B O   1 
HETATM 1647 O O   . HOH E 5 .   ? -16.731 -5.622  -9.350  1.00 31.43 ? 359 HOH B O   1 
HETATM 1648 O O   . HOH E 5 .   ? -9.393  -18.596 -30.276 1.00 45.18 ? 360 HOH B O   1 
HETATM 1649 O O   . HOH E 5 .   ? -27.195 -20.337 -7.001  1.00 16.35 ? 361 HOH B O   1 
HETATM 1650 O O   . HOH E 5 .   ? -13.510 -20.975 -35.145 1.00 32.60 ? 362 HOH B O   1 
HETATM 1651 O O   . HOH E 5 .   ? -42.260 -3.977  -39.480 1.00 23.12 ? 363 HOH B O   1 
HETATM 1652 O O   . HOH E 5 .   ? -23.240 4.377   -24.725 1.00 23.53 ? 364 HOH B O   1 
HETATM 1653 O O   . HOH E 5 .   ? -9.375  -20.777 -29.021 1.00 34.68 ? 365 HOH B O   1 
HETATM 1654 O O   . HOH E 5 .   ? -19.331 -26.062 -31.933 1.00 17.50 ? 366 HOH B O   1 
HETATM 1655 O O   . HOH E 5 .   ? -18.011 -4.388  -5.878  1.00 40.89 ? 367 HOH B O   1 
HETATM 1656 O O   . HOH E 5 .   ? -30.673 1.198   -17.125 1.00 27.21 ? 368 HOH B O   1 
HETATM 1657 O O   . HOH E 5 .   ? -23.154 2.342   -23.153 1.00 28.51 ? 369 HOH B O   1 
HETATM 1658 O O   . HOH E 5 .   ? -17.864 -19.805 -37.579 1.00 25.07 ? 370 HOH B O   1 
HETATM 1659 O O   . HOH E 5 .   ? -25.830 -14.161 -3.050  1.00 27.80 ? 371 HOH B O   1 
HETATM 1660 O O   . HOH E 5 .   ? -40.304 -14.386 -31.418 1.00 14.27 ? 372 HOH B O   1 
HETATM 1661 O O   . HOH E 5 .   ? -10.256 -23.532 -21.803 1.00 27.70 ? 373 HOH B O   1 
HETATM 1662 O O   . HOH E 5 .   ? -26.739 -17.646 -7.785  1.00 15.78 ? 374 HOH B O   1 
HETATM 1663 O O   . HOH E 5 .   ? -20.944 -16.419 -5.571  1.00 15.89 ? 375 HOH B O   1 
HETATM 1664 O O   . HOH E 5 .   ? -33.502 -1.875  -38.466 1.00 27.79 ? 376 HOH B O   1 
HETATM 1665 O O   . HOH E 5 .   ? -35.885 -3.757  -10.102 1.00 43.53 ? 377 HOH B O   1 
HETATM 1666 O O   . HOH E 5 .   ? -36.504 -0.953  -22.177 1.00 12.79 ? 378 HOH B O   1 
HETATM 1667 O O   . HOH E 5 .   ? -30.227 -23.913 -34.088 1.00 21.75 ? 379 HOH B O   1 
HETATM 1668 O O   . HOH E 5 .   ? -19.166 -29.203 -23.535 1.00 23.23 ? 380 HOH B O   1 
HETATM 1669 O O   . HOH E 5 .   ? -45.725 -14.687 -27.541 1.00 31.85 ? 381 HOH B O   1 
HETATM 1670 O O   . HOH E 5 .   ? -33.943 -21.705 -36.710 1.00 39.34 ? 382 HOH B O   1 
HETATM 1671 O O   . HOH E 5 .   ? -36.960 0.925   -15.548 1.00 15.74 ? 383 HOH B O   1 
HETATM 1672 O O   . HOH E 5 .   ? -32.263 -5.003  -12.995 1.00 13.07 ? 384 HOH B O   1 
HETATM 1673 O O   . HOH E 5 .   ? -25.318 -10.479 -23.635 1.00 12.49 ? 385 HOH B O   1 
HETATM 1674 O O   . HOH E 5 .   ? -14.433 -16.526 -32.995 1.00 28.12 ? 386 HOH B O   1 
HETATM 1675 O O   . HOH E 5 .   ? -15.006 -19.722 -37.627 1.00 24.20 ? 387 HOH B O   1 
HETATM 1676 O O   . HOH E 5 .   ? -12.710 -18.537 -34.801 1.00 36.78 ? 388 HOH B O   1 
HETATM 1677 O O   . HOH E 5 .   ? -24.054 -12.346 -6.599  1.00 17.65 ? 389 HOH B O   1 
HETATM 1678 O O   . HOH E 5 .   ? -23.896 -26.619 -15.897 1.00 22.31 ? 390 HOH B O   1 
HETATM 1679 O O   . HOH E 5 .   ? -33.332 -14.871 -7.051  1.00 20.08 ? 391 HOH B O   1 
HETATM 1680 O O   . HOH E 5 .   ? -41.359 -8.486  -13.369 1.00 20.81 ? 392 HOH B O   1 
HETATM 1681 O O   . HOH E 5 .   ? -16.087 -11.869 -5.398  1.00 47.67 ? 393 HOH B O   1 
HETATM 1682 O O   . HOH E 5 .   ? -45.857 -4.282  -33.980 1.00 25.79 ? 394 HOH B O   1 
HETATM 1683 O O   . HOH E 5 .   ? -25.737 -27.013 -23.906 1.00 17.79 ? 395 HOH B O   1 
HETATM 1684 O O   . HOH E 5 .   ? -25.013 -11.069 -4.182  1.00 22.52 ? 396 HOH B O   1 
HETATM 1685 O O   . HOH E 5 .   ? -13.198 -6.196  -29.166 1.00 29.97 ? 397 HOH B O   1 
HETATM 1686 O O   . HOH E 5 .   ? -18.347 -17.366 -36.554 1.00 26.04 ? 398 HOH B O   1 
HETATM 1687 O O   . HOH E 5 .   ? -9.341  -15.968 -26.555 1.00 27.59 ? 399 HOH B O   1 
HETATM 1688 O O   . HOH E 5 .   ? -45.755 -19.699 -31.633 1.00 25.87 ? 400 HOH B O   1 
HETATM 1689 O O   . HOH E 5 .   ? -34.784 -8.993  -6.169  1.00 39.27 ? 401 HOH B O   1 
HETATM 1690 O O   . HOH E 5 .   ? -24.872 -15.002 -6.880  1.00 16.47 ? 402 HOH B O   1 
HETATM 1691 O O   . HOH E 5 .   ? -35.609 -4.701  -42.256 1.00 24.12 ? 403 HOH B O   1 
HETATM 1692 O O   . HOH E 5 .   ? -31.510 3.479   -26.863 1.00 25.62 ? 404 HOH B O   1 
HETATM 1693 O O   . HOH E 5 .   ? -18.039 -16.023 -6.171  1.00 22.09 ? 405 HOH B O   1 
HETATM 1694 O O   . HOH E 5 .   ? -28.808 7.836   -30.191 1.00 29.20 ? 406 HOH B O   1 
HETATM 1695 O O   . HOH E 5 .   ? -52.349 -14.086 -29.284 1.00 45.73 ? 407 HOH B O   1 
HETATM 1696 O O   . HOH E 5 .   ? -41.016 -5.779  -38.159 1.00 35.85 ? 408 HOH B O   1 
HETATM 1697 O O   . HOH E 5 .   ? -40.842 6.406   -33.084 1.00 28.49 ? 409 HOH B O   1 
HETATM 1698 O O   . HOH E 5 .   ? -17.843 -11.130 -35.625 1.00 25.02 ? 410 HOH B O   1 
HETATM 1699 O O   . HOH E 5 .   ? -42.429 -5.043  -43.765 1.00 20.82 ? 411 HOH B O   1 
HETATM 1700 O O   . HOH E 5 .   ? -43.334 3.722   -18.771 1.00 19.91 ? 412 HOH B O   1 
HETATM 1701 O O   . HOH E 5 .   ? -40.026 -11.426 -22.754 1.00 33.55 ? 413 HOH B O   1 
HETATM 1702 O O   . HOH E 5 .   ? -36.399 -0.157  -41.935 1.00 42.90 ? 414 HOH B O   1 
HETATM 1703 O O   . HOH E 5 .   ? -34.286 -7.157  -8.038  1.00 28.20 ? 415 HOH B O   1 
HETATM 1704 O O   . HOH E 5 .   ? -38.753 3.810   -13.533 1.00 36.34 ? 416 HOH B O   1 
HETATM 1705 O O   . HOH E 5 .   ? -24.327 -4.281  -36.938 1.00 35.31 ? 417 HOH B O   1 
HETATM 1706 O O   . HOH E 5 .   ? -30.980 4.046   -24.442 1.00 24.51 ? 418 HOH B O   1 
HETATM 1707 O O   . HOH E 5 .   ? -41.102 -8.807  -19.300 1.00 16.64 ? 419 HOH B O   1 
HETATM 1708 O O   . HOH E 5 .   ? -40.409 -7.489  -34.688 1.00 21.86 ? 420 HOH B O   1 
HETATM 1709 O O   . HOH E 5 .   ? -25.082 7.032   -29.042 1.00 29.18 ? 421 HOH B O   1 
HETATM 1710 O O   . HOH E 5 .   ? -16.132 -14.826 -8.676  1.00 29.45 ? 422 HOH B O   1 
HETATM 1711 O O   . HOH E 5 .   ? -47.694 0.000   -32.583 0.50 25.13 ? 423 HOH B O   1 
HETATM 1712 O O   . HOH E 5 .   ? -30.752 -17.409 -42.774 1.00 31.68 ? 424 HOH B O   1 
HETATM 1713 O O   . HOH E 5 .   ? -19.877 2.348   -24.028 1.00 36.05 ? 425 HOH B O   1 
HETATM 1714 O O   . HOH E 5 .   ? -16.101 -7.437  -11.382 1.00 28.29 ? 426 HOH B O   1 
HETATM 1715 O O   . HOH E 5 .   ? -32.698 -23.590 -33.465 1.00 32.03 ? 427 HOH B O   1 
HETATM 1716 O O   . HOH E 5 .   ? -36.672 -6.564  -9.009  1.00 27.23 ? 428 HOH B O   1 
HETATM 1717 O O   . HOH E 5 .   ? -27.699 -28.301 -25.396 1.00 30.25 ? 429 HOH B O   1 
HETATM 1718 O O   . HOH E 5 .   ? -26.178 -28.197 -21.486 1.00 38.02 ? 430 HOH B O   1 
HETATM 1719 O O   . HOH E 5 .   ? -38.512 -16.145 -40.933 1.00 42.75 ? 431 HOH B O   1 
HETATM 1720 O O   . HOH E 5 .   ? -21.684 6.907   -32.400 1.00 30.40 ? 432 HOH B O   1 
HETATM 1721 O O   . HOH E 5 .   ? -8.438  -23.068 -30.359 1.00 27.20 ? 433 HOH B O   1 
HETATM 1722 O O   . HOH E 5 .   ? -40.062 5.151   -22.023 1.00 29.56 ? 434 HOH B O   1 
HETATM 1723 O O   . HOH E 5 .   ? -22.789 3.315   -20.695 1.00 38.00 ? 435 HOH B O   1 
HETATM 1724 O O   . HOH E 5 .   ? -36.604 2.154   -42.950 1.00 42.60 ? 436 HOH B O   1 
HETATM 1725 O O   . HOH E 5 .   ? -15.912 -22.211 -14.597 1.00 29.33 ? 437 HOH B O   1 
HETATM 1726 O O   . HOH E 5 .   ? -28.302 -27.739 -16.835 1.00 23.01 ? 438 HOH B O   1 
HETATM 1727 O O   . HOH E 5 .   ? -16.110 -26.940 -17.225 1.00 33.30 ? 439 HOH B O   1 
HETATM 1728 O O   . HOH E 5 .   ? -26.358 -31.136 -24.046 1.00 26.30 ? 440 HOH B O   1 
HETATM 1729 O O   . HOH E 5 .   ? -42.074 -12.999 -22.306 1.00 32.69 ? 441 HOH B O   1 
# 
