data_7HMA
# 
_entry.id   7HMA 
# 
_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   7HMA         pdb_00007hma 10.2210/pdb7hma/pdb 
WWPDB D_1001407652 ?            ?                   
# 
_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                        7HMA 
_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 1,2-ETHANEDIOL                             62.068    2  ?        ? ? ? 
3 non-polymer syn '1-[2-(trifluoromethyloxy)phenyl]thiourea' 236.214   1  ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                              96.063    1  ?        ? ? ? 
5 water       nat water                                      18.015    35 ?        ? ? ? 
# 
_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 1,2-ETHANEDIOL                             EDO 
3 '1-[2-(trifluoromethyloxy)phenyl]thiourea' LV4 
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 
LV4 non-polymer         . '1-[2-(trifluoromethyloxy)phenyl]thiourea' ?                 'C8 H7 F3 N2 O S' 236.214 
LYS 'L-peptide linking' y LYSINE                                     ?                 'C6 H15 N2 O2 1'  147.195 
MET 'L-peptide linking' y METHIONINE                                 ?                 'C5 H11 N O2 S'   149.211 
PHE 'L-peptide linking' y PHENYLALANINE                              ?                 'C9 H11 N O2'     165.189 
PRO 'L-peptide linking' y PROLINE                                    ?                 'C5 H9 N O2'      115.130 
SER 'L-peptide linking' y SERINE                                     ?                 'C3 H7 N O3'      105.093 
SO4 non-polymer         . 'SULFATE ION'                              ?                 'O4 S -2'         96.063  
THR 'L-peptide linking' y THREONINE                                  ?                 'C4 H9 N O3'      119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                                 ?                 'C11 H12 N2 O2'   204.225 
TYR 'L-peptide linking' y TYROSINE                                   ?                 'C9 H11 N O3'     181.189 
VAL 'L-peptide linking' y VALINE                                     ?                 'C5 H11 N O2'     117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   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        LV4 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   LV4 
_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 EDO 1  201 202 EDO EDO B . 
C 3 LV4 1  202 302 LV4 LIG B . 
D 2 EDO 1  203 305 EDO EDO B . 
E 4 SO4 1  204 1   SO4 SO4 B . 
F 5 HOH 1  301 63  HOH HOH B . 
F 5 HOH 2  302 99  HOH HOH B . 
F 5 HOH 3  303 3   HOH HOH B . 
F 5 HOH 4  304 27  HOH HOH B . 
F 5 HOH 5  305 90  HOH HOH B . 
F 5 HOH 6  306 95  HOH HOH B . 
F 5 HOH 7  307 31  HOH HOH B . 
F 5 HOH 8  308 100 HOH HOH B . 
F 5 HOH 9  309 27  HOH HOH B . 
F 5 HOH 10 310 126 HOH HOH B . 
F 5 HOH 11 311 22  HOH HOH B . 
F 5 HOH 12 312 1   HOH HOH B . 
F 5 HOH 13 313 66  HOH HOH B . 
F 5 HOH 14 314 50  HOH HOH B . 
F 5 HOH 15 315 28  HOH HOH B . 
F 5 HOH 16 316 59  HOH HOH B . 
F 5 HOH 17 317 304 HOH HOH B . 
F 5 HOH 18 318 14  HOH HOH B . 
F 5 HOH 19 319 4   HOH HOH B . 
F 5 HOH 20 320 25  HOH HOH B . 
F 5 HOH 21 321 85  HOH HOH B . 
F 5 HOH 22 322 24  HOH HOH B . 
F 5 HOH 23 323 45  HOH HOH B . 
F 5 HOH 24 324 264 HOH HOH B . 
F 5 HOH 25 325 137 HOH HOH B . 
F 5 HOH 26 326 8   HOH HOH B . 
F 5 HOH 27 327 23  HOH HOH B . 
F 5 HOH 28 328 30  HOH HOH B . 
F 5 HOH 29 329 120 HOH HOH B . 
F 5 HOH 30 330 9   HOH HOH B . 
F 5 HOH 31 331 41  HOH HOH B . 
F 5 HOH 32 332 53  HOH HOH B . 
F 5 HOH 33 333 5   HOH HOH B . 
F 5 HOH 34 334 107 HOH HOH B . 
F 5 HOH 35 335 259 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           7HMA 
_cell.length_a           95.471 
_cell.length_b           95.471 
_cell.length_c           45.711 
_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                         7HMA 
_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          7HMA 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.41 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   49.00 
_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   2024-05-23 
_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   0.92124 
_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        0.92124 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HMA 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             47.730 
_reflns.d_resolution_high            1.150 
_reflns.number_obs                   61858 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         84.600 
_reflns.pdbx_Rmerge_I_obs            0.043 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        26.400 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              9.500 
_reflns.pdbx_Rrim_I_all              0.045 
_reflns.pdbx_Rpim_I_all              0.013 
_reflns.pdbx_CC_half                 0.999 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     588478 
_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 1.150 1.170  ? 470  448 ? 0.460 ? ? ? 1.000  ? 0.800  ? ? ? ? ? ? 12.500 0.651 0.460 0.471 
1 2 6.300 47.730 ? 6088 482 ? 0.054 ? ? ? 12.600 ? 88.200 ? ? ? ? ? ? 99.800 0.057 0.018 0.985 
# 
_refine.entry_id                                 7HMA 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.1500 
_refine.ls_d_res_low                             47.7800 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    84.6700 
_refine.ls_number_reflns_obs                     58858 
_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                          0.1769 
_refine.ls_R_factor_R_work                       0.1762 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.1891 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.8000 
_refine.ls_number_reflns_R_free                  3000 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               16.4400 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.0200 
_refine.aniso_B[2][2]                            0.0200 
_refine.aniso_B[3][3]                            -0.0400 
_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               0.9690 
_refine.correlation_coeff_Fo_to_Fc_free          0.9650 
_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                       0.0440 
_refine.pdbx_overall_ESU_R_Free                  0.0440 
_refine.overall_SU_ML                            0.0310 
_refine.overall_SU_B                             0.7000 
_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                                83.570 
_refine.B_iso_min                                7.960 
_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                       1.1500 
_refine_hist.d_res_low                        47.7800 
_refine_hist.pdbx_number_atoms_ligand         28 
_refine_hist.number_atoms_solvent             35 
_refine_hist.number_atoms_total               1556 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           38.40 
_refine_hist.pdbx_B_iso_mean_solvent          23.28 
_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       2147 0.013  0.014  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1618 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2553 1.894  1.641  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3732 1.446  1.581  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 241  7.270  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 110  28.788 21.455 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 291  11.585 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   22.197 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         222  0.088  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2294 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     512  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            1080 1.352  1.547  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         965  1.411  1.395  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1153 2.294  2.104  ? ? 
# 
_refine_ls_shell.d_res_high                       1.1500 
_refine_ls_shell.d_res_low                        1.1800 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               15.6400 
_refine_ls_shell.number_reflns_R_work             809 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3120 
_refine_ls_shell.R_factor_R_free                  0.2750 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             30 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                839 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HMA 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z291279160' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HMA 
_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 2 ? 
E N N 4 ? 
F 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              7HMA 
_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 7HMA MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HMA HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HMA HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HMA HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HMA HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HMA HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HMA HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HMA 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,F 
# 
_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       -0.79 
# 
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                   7HMA 
_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_bond.id                        1 
_pdbx_validate_rmsd_bond.PDB_model_num             1 
_pdbx_validate_rmsd_bond.auth_atom_id_1            CD 
_pdbx_validate_rmsd_bond.auth_asym_id_1            B 
_pdbx_validate_rmsd_bond.auth_comp_id_1            GLU 
_pdbx_validate_rmsd_bond.auth_seq_id_1             141 
_pdbx_validate_rmsd_bond.PDB_ins_code_1            ? 
_pdbx_validate_rmsd_bond.label_alt_id_1            ? 
_pdbx_validate_rmsd_bond.auth_atom_id_2            OE1 
_pdbx_validate_rmsd_bond.auth_asym_id_2            B 
_pdbx_validate_rmsd_bond.auth_comp_id_2            GLU 
_pdbx_validate_rmsd_bond.auth_seq_id_2             141 
_pdbx_validate_rmsd_bond.PDB_ins_code_2            ? 
_pdbx_validate_rmsd_bond.label_alt_id_2            ? 
_pdbx_validate_rmsd_bond.bond_value                1.185 
_pdbx_validate_rmsd_bond.bond_target_value         1.252 
_pdbx_validate_rmsd_bond.bond_deviation            -0.067 
_pdbx_validate_rmsd_bond.bond_standard_deviation   0.011 
_pdbx_validate_rmsd_bond.linker_flag               N 
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.PDB_ins_code_1 
_pdbx_validate_rmsd_angle.label_alt_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.PDB_ins_code_2 
_pdbx_validate_rmsd_angle.label_alt_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.PDB_ins_code_3 
_pdbx_validate_rmsd_angle.label_alt_id_3 
_pdbx_validate_rmsd_angle.angle_value 
_pdbx_validate_rmsd_angle.angle_target_value 
_pdbx_validate_rmsd_angle.angle_deviation 
_pdbx_validate_rmsd_angle.angle_standard_deviation 
_pdbx_validate_rmsd_angle.linker_flag 
1 1 NE B ARG 38 ? ? CZ B ARG 38 ? ? NH2 B ARG 38 ? ? 117.16 120.30 -3.14 0.50 N 
2 1 CG B ARG 64 ? ? CD B ARG 64 ? ? NE  B ARG 64 ? ? 127.51 111.80 15.71 2.10 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  ? ? 71.44   36.72 
2 1 ASP B 152 ? ? -104.18 51.31 
# 
_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 
LV4 N1   N N N 215 
LV4 C4   C Y N 216 
LV4 C5   C Y N 217 
LV4 C6   C N N 218 
LV4 C7   C N N 219 
LV4 N    N N N 220 
LV4 C    C Y N 221 
LV4 O    O N N 222 
LV4 C1   C Y N 223 
LV4 C2   C Y N 224 
LV4 C3   C Y N 225 
LV4 F    F N N 226 
LV4 F1   F N N 227 
LV4 F2   F N N 228 
LV4 S    S N N 229 
LV4 H1   H N N 230 
LV4 H2   H N N 231 
LV4 H3   H N N 232 
LV4 H4   H N N 233 
LV4 H5   H N N 234 
LV4 H6   H N N 235 
LV4 H7   H N N 236 
LYS N    N N N 237 
LYS CA   C N S 238 
LYS C    C N N 239 
LYS O    O N N 240 
LYS CB   C N N 241 
LYS CG   C N N 242 
LYS CD   C N N 243 
LYS CE   C N N 244 
LYS NZ   N N N 245 
LYS OXT  O N N 246 
LYS H    H N N 247 
LYS H2   H N N 248 
LYS HA   H N N 249 
LYS HB2  H N N 250 
LYS HB3  H N N 251 
LYS HG2  H N N 252 
LYS HG3  H N N 253 
LYS HD2  H N N 254 
LYS HD3  H N N 255 
LYS HE2  H N N 256 
LYS HE3  H N N 257 
LYS HZ1  H N N 258 
LYS HZ2  H N N 259 
LYS HZ3  H N N 260 
LYS HXT  H N N 261 
MET N    N N N 262 
MET CA   C N S 263 
MET C    C N N 264 
MET O    O N N 265 
MET CB   C N N 266 
MET CG   C N N 267 
MET SD   S N N 268 
MET CE   C N N 269 
MET OXT  O N N 270 
MET H    H N N 271 
MET H2   H N N 272 
MET HA   H N N 273 
MET HB2  H N N 274 
MET HB3  H N N 275 
MET HG2  H N N 276 
MET HG3  H N N 277 
MET HE1  H N N 278 
MET HE2  H N N 279 
MET HE3  H N N 280 
MET HXT  H N N 281 
PHE N    N N N 282 
PHE CA   C N S 283 
PHE C    C N N 284 
PHE O    O N N 285 
PHE CB   C N N 286 
PHE CG   C Y N 287 
PHE CD1  C Y N 288 
PHE CD2  C Y N 289 
PHE CE1  C Y N 290 
PHE CE2  C Y N 291 
PHE CZ   C Y N 292 
PHE OXT  O N N 293 
PHE H    H N N 294 
PHE H2   H N N 295 
PHE HA   H N N 296 
PHE HB2  H N N 297 
PHE HB3  H N N 298 
PHE HD1  H N N 299 
PHE HD2  H N N 300 
PHE HE1  H N N 301 
PHE HE2  H N N 302 
PHE HZ   H N N 303 
PHE HXT  H N N 304 
PRO N    N N N 305 
PRO CA   C N S 306 
PRO C    C N N 307 
PRO O    O N N 308 
PRO CB   C N N 309 
PRO CG   C N N 310 
PRO CD   C N N 311 
PRO OXT  O N N 312 
PRO H    H N N 313 
PRO HA   H N N 314 
PRO HB2  H N N 315 
PRO HB3  H N N 316 
PRO HG2  H N N 317 
PRO HG3  H N N 318 
PRO HD2  H N N 319 
PRO HD3  H N N 320 
PRO HXT  H N N 321 
SER N    N N N 322 
SER CA   C N S 323 
SER C    C N N 324 
SER O    O N N 325 
SER CB   C N N 326 
SER OG   O N N 327 
SER OXT  O N N 328 
SER H    H N N 329 
SER H2   H N N 330 
SER HA   H N N 331 
SER HB2  H N N 332 
SER HB3  H N N 333 
SER HG   H N N 334 
SER HXT  H N N 335 
SO4 S    S N N 336 
SO4 O1   O N N 337 
SO4 O2   O N N 338 
SO4 O3   O N N 339 
SO4 O4   O N N 340 
THR N    N N N 341 
THR CA   C N S 342 
THR C    C N N 343 
THR O    O N N 344 
THR CB   C N R 345 
THR OG1  O N N 346 
THR CG2  C N N 347 
THR OXT  O N N 348 
THR H    H N N 349 
THR H2   H N N 350 
THR HA   H N N 351 
THR HB   H N N 352 
THR HG1  H N N 353 
THR HG21 H N N 354 
THR HG22 H N N 355 
THR HG23 H N N 356 
THR HXT  H N N 357 
TRP N    N N N 358 
TRP CA   C N S 359 
TRP C    C N N 360 
TRP O    O N N 361 
TRP CB   C N N 362 
TRP CG   C Y N 363 
TRP CD1  C Y N 364 
TRP CD2  C Y N 365 
TRP NE1  N Y N 366 
TRP CE2  C Y N 367 
TRP CE3  C Y N 368 
TRP CZ2  C Y N 369 
TRP CZ3  C Y N 370 
TRP CH2  C Y N 371 
TRP OXT  O N N 372 
TRP H    H N N 373 
TRP H2   H N N 374 
TRP HA   H N N 375 
TRP HB2  H N N 376 
TRP HB3  H N N 377 
TRP HD1  H N N 378 
TRP HE1  H N N 379 
TRP HE3  H N N 380 
TRP HZ2  H N N 381 
TRP HZ3  H N N 382 
TRP HH2  H N N 383 
TRP HXT  H N N 384 
TYR N    N N N 385 
TYR CA   C N S 386 
TYR C    C N N 387 
TYR O    O N N 388 
TYR CB   C N N 389 
TYR CG   C Y N 390 
TYR CD1  C Y N 391 
TYR CD2  C Y N 392 
TYR CE1  C Y N 393 
TYR CE2  C Y N 394 
TYR CZ   C Y N 395 
TYR OH   O N N 396 
TYR OXT  O N N 397 
TYR H    H N N 398 
TYR H2   H N N 399 
TYR HA   H N N 400 
TYR HB2  H N N 401 
TYR HB3  H N N 402 
TYR HD1  H N N 403 
TYR HD2  H N N 404 
TYR HE1  H N N 405 
TYR HE2  H N N 406 
TYR HH   H N N 407 
TYR HXT  H N N 408 
VAL N    N N N 409 
VAL CA   C N S 410 
VAL C    C N N 411 
VAL O    O N N 412 
VAL CB   C N N 413 
VAL CG1  C N N 414 
VAL CG2  C N N 415 
VAL OXT  O N N 416 
VAL H    H N N 417 
VAL H2   H N N 418 
VAL HA   H N N 419 
VAL HB   H N N 420 
VAL HG11 H N N 421 
VAL HG12 H N N 422 
VAL HG13 H N N 423 
VAL HG21 H N N 424 
VAL HG22 H N N 425 
VAL HG23 H N N 426 
VAL HXT  H N N 427 
# 
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 
LV4 N1  C6   sing N N 203 
LV4 F2  C7   sing N N 204 
LV4 N   C6   sing N N 205 
LV4 N   C4   sing N N 206 
LV4 C6  S    doub N N 207 
LV4 C4  C5   doub Y N 208 
LV4 C4  C3   sing Y N 209 
LV4 C7  F    sing N N 210 
LV4 C7  O    sing N N 211 
LV4 C7  F1   sing N N 212 
LV4 C5  C    sing Y N 213 
LV4 O   C3   sing N N 214 
LV4 C3  C2   doub Y N 215 
LV4 C   C1   doub Y N 216 
LV4 C2  C1   sing Y N 217 
LV4 N1  H1   sing N N 218 
LV4 N1  H2   sing N N 219 
LV4 C5  H3   sing N N 220 
LV4 N   H4   sing N N 221 
LV4 C   H5   sing N N 222 
LV4 C1  H6   sing N N 223 
LV4 C2  H7   sing N N 224 
LYS N   CA   sing N N 225 
LYS N   H    sing N N 226 
LYS N   H2   sing N N 227 
LYS CA  C    sing N N 228 
LYS CA  CB   sing N N 229 
LYS CA  HA   sing N N 230 
LYS C   O    doub N N 231 
LYS C   OXT  sing N N 232 
LYS CB  CG   sing N N 233 
LYS CB  HB2  sing N N 234 
LYS CB  HB3  sing N N 235 
LYS CG  CD   sing N N 236 
LYS CG  HG2  sing N N 237 
LYS CG  HG3  sing N N 238 
LYS CD  CE   sing N N 239 
LYS CD  HD2  sing N N 240 
LYS CD  HD3  sing N N 241 
LYS CE  NZ   sing N N 242 
LYS CE  HE2  sing N N 243 
LYS CE  HE3  sing N N 244 
LYS NZ  HZ1  sing N N 245 
LYS NZ  HZ2  sing N N 246 
LYS NZ  HZ3  sing N N 247 
LYS OXT HXT  sing N N 248 
MET N   CA   sing N N 249 
MET N   H    sing N N 250 
MET N   H2   sing N N 251 
MET CA  C    sing N N 252 
MET CA  CB   sing N N 253 
MET CA  HA   sing N N 254 
MET C   O    doub N N 255 
MET C   OXT  sing N N 256 
MET CB  CG   sing N N 257 
MET CB  HB2  sing N N 258 
MET CB  HB3  sing N N 259 
MET CG  SD   sing N N 260 
MET CG  HG2  sing N N 261 
MET CG  HG3  sing N N 262 
MET SD  CE   sing N N 263 
MET CE  HE1  sing N N 264 
MET CE  HE2  sing N N 265 
MET CE  HE3  sing N N 266 
MET OXT HXT  sing N N 267 
PHE N   CA   sing N N 268 
PHE N   H    sing N N 269 
PHE N   H2   sing N N 270 
PHE CA  C    sing N N 271 
PHE CA  CB   sing N N 272 
PHE CA  HA   sing N N 273 
PHE C   O    doub N N 274 
PHE C   OXT  sing N N 275 
PHE CB  CG   sing N N 276 
PHE CB  HB2  sing N N 277 
PHE CB  HB3  sing N N 278 
PHE CG  CD1  doub Y N 279 
PHE CG  CD2  sing Y N 280 
PHE CD1 CE1  sing Y N 281 
PHE CD1 HD1  sing N N 282 
PHE CD2 CE2  doub Y N 283 
PHE CD2 HD2  sing N N 284 
PHE CE1 CZ   doub Y N 285 
PHE CE1 HE1  sing N N 286 
PHE CE2 CZ   sing Y N 287 
PHE CE2 HE2  sing N N 288 
PHE CZ  HZ   sing N N 289 
PHE OXT HXT  sing N N 290 
PRO N   CA   sing N N 291 
PRO N   CD   sing N N 292 
PRO N   H    sing N N 293 
PRO CA  C    sing N N 294 
PRO CA  CB   sing N N 295 
PRO CA  HA   sing N N 296 
PRO C   O    doub N N 297 
PRO C   OXT  sing N N 298 
PRO CB  CG   sing N N 299 
PRO CB  HB2  sing N N 300 
PRO CB  HB3  sing N N 301 
PRO CG  CD   sing N N 302 
PRO CG  HG2  sing N N 303 
PRO CG  HG3  sing N N 304 
PRO CD  HD2  sing N N 305 
PRO CD  HD3  sing N N 306 
PRO OXT HXT  sing N N 307 
SER N   CA   sing N N 308 
SER N   H    sing N N 309 
SER N   H2   sing N N 310 
SER CA  C    sing N N 311 
SER CA  CB   sing N N 312 
SER CA  HA   sing N N 313 
SER C   O    doub N N 314 
SER C   OXT  sing N N 315 
SER CB  OG   sing N N 316 
SER CB  HB2  sing N N 317 
SER CB  HB3  sing N N 318 
SER OG  HG   sing N N 319 
SER OXT HXT  sing N N 320 
SO4 S   O1   doub N N 321 
SO4 S   O2   doub N N 322 
SO4 S   O3   sing N N 323 
SO4 S   O4   sing N N 324 
THR N   CA   sing N N 325 
THR N   H    sing N N 326 
THR N   H2   sing N N 327 
THR CA  C    sing N N 328 
THR CA  CB   sing N N 329 
THR CA  HA   sing N N 330 
THR C   O    doub N N 331 
THR C   OXT  sing N N 332 
THR CB  OG1  sing N N 333 
THR CB  CG2  sing N N 334 
THR CB  HB   sing N N 335 
THR OG1 HG1  sing N N 336 
THR CG2 HG21 sing N N 337 
THR CG2 HG22 sing N N 338 
THR CG2 HG23 sing N N 339 
THR OXT HXT  sing N N 340 
TRP N   CA   sing N N 341 
TRP N   H    sing N N 342 
TRP N   H2   sing N N 343 
TRP CA  C    sing N N 344 
TRP CA  CB   sing N N 345 
TRP CA  HA   sing N N 346 
TRP C   O    doub N N 347 
TRP C   OXT  sing N N 348 
TRP CB  CG   sing N N 349 
TRP CB  HB2  sing N N 350 
TRP CB  HB3  sing N N 351 
TRP CG  CD1  doub Y N 352 
TRP CG  CD2  sing Y N 353 
TRP CD1 NE1  sing Y N 354 
TRP CD1 HD1  sing N N 355 
TRP CD2 CE2  doub Y N 356 
TRP CD2 CE3  sing Y N 357 
TRP NE1 CE2  sing Y N 358 
TRP NE1 HE1  sing N N 359 
TRP CE2 CZ2  sing Y N 360 
TRP CE3 CZ3  doub Y N 361 
TRP CE3 HE3  sing N N 362 
TRP CZ2 CH2  doub Y N 363 
TRP CZ2 HZ2  sing N N 364 
TRP CZ3 CH2  sing Y N 365 
TRP CZ3 HZ3  sing N N 366 
TRP CH2 HH2  sing N N 367 
TRP OXT HXT  sing N N 368 
TYR N   CA   sing N N 369 
TYR N   H    sing N N 370 
TYR N   H2   sing N N 371 
TYR CA  C    sing N N 372 
TYR CA  CB   sing N N 373 
TYR CA  HA   sing N N 374 
TYR C   O    doub N N 375 
TYR C   OXT  sing N N 376 
TYR CB  CG   sing N N 377 
TYR CB  HB2  sing N N 378 
TYR CB  HB3  sing N N 379 
TYR CG  CD1  doub Y N 380 
TYR CG  CD2  sing Y N 381 
TYR CD1 CE1  sing Y N 382 
TYR CD1 HD1  sing N N 383 
TYR CD2 CE2  doub Y N 384 
TYR CD2 HD2  sing N N 385 
TYR CE1 CZ   doub Y N 386 
TYR CE1 HE1  sing N N 387 
TYR CE2 CZ   sing Y N 388 
TYR CE2 HE2  sing N N 389 
TYR CZ  OH   sing N N 390 
TYR OH  HH   sing N N 391 
TYR OXT HXT  sing N N 392 
VAL N   CA   sing N N 393 
VAL N   H    sing N N 394 
VAL N   H2   sing N N 395 
VAL CA  C    sing N N 396 
VAL CA  CB   sing N N 397 
VAL CA  HA   sing N N 398 
VAL C   O    doub N N 399 
VAL C   OXT  sing N N 400 
VAL CB  CG1  sing N N 401 
VAL CB  CG2  sing N N 402 
VAL CB  HB   sing N N 403 
VAL CG1 HG11 sing N N 404 
VAL CG1 HG12 sing N N 405 
VAL CG1 HG13 sing N N 406 
VAL CG2 HG21 sing N N 407 
VAL CG2 HG22 sing N N 408 
VAL CG2 HG23 sing N N 409 
VAL OXT HXT  sing N N 410 
# 
_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                    7HMA 
_atom_sites.fract_transf_matrix[1][1]   0.010474 
_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]   0.010474 
_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]   0.021877 
_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 
F 
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   ? -13.261 -13.000 -9.939  1.00 81.80 ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.780 -13.532 -11.257 1.00 76.66 ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.678 -12.622 -11.819 1.00 76.54 ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.613 -11.439 -11.409 1.00 80.96 ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -13.956 -13.699 -12.237 1.00 69.23 ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.562 -12.418 -12.716 1.00 62.53 ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -14.142 -11.791 -13.873 1.00 60.83 ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.564 -11.658 -12.222 1.00 59.10 ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.844 -10.693 -14.058 1.00 59.04 ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.726 -10.587 -13.064 1.00 56.49 ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -10.856 -13.158 -12.727 1.00 73.13 ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.787  -12.429 -13.466 1.00 71.65 ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -10.023 -12.576 -14.980 1.00 63.77 ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -9.038  -12.800 -15.710 1.00 64.99 ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.404  -12.915 -12.987 1.00 76.77 ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -8.158  -12.700 -11.525 1.00 81.57 ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -8.391  -11.483 -10.900 1.00 81.73 ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -7.689  -13.528 -10.565 1.00 83.08 ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -8.086  -11.577 -9.621  1.00 80.51 ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -7.651  -12.823 -9.390  1.00 83.57 ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.285 -12.434 -15.422 1.00 54.09 ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.771 -12.643 -16.820 1.00 44.58 ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.777 -11.320 -17.593 1.00 43.62 ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.857 -11.362 -18.844 1.00 36.32 ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.183 -13.253 -16.821 1.00 40.66 ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.241 -14.645 -16.289 1.00 39.41 ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.320 -15.626 -16.652 1.00 36.50 ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.112 -15.239 -15.450 1.00 36.69 ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.625 -16.757 -16.049 1.00 42.14 ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.723 -16.549 -15.311 1.00 41.37 ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.688 -10.195 -16.876 1.00 42.88 ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.804 -8.814  -17.418 1.00 45.83 ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.915 -8.635  -18.658 1.00 44.82 ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.370 -7.946  -19.606 1.00 44.14 ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.479 -7.774  -16.332 1.00 54.25 ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -12.330 -7.878  -15.109 1.00 64.18 ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.853 -8.403  -13.915 1.00 74.19 ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.616 -7.529  -14.880 1.00 69.09 ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.812 -8.372  -13.007 1.00 74.26 ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.905 -7.841  -13.575 1.00 72.21 ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.717  -9.247  -18.672 1.00 42.02 ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.673  -9.076  -19.724 1.00 39.92 ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -9.065  -9.745  -21.051 1.00 35.34 ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.375  -9.473  -22.037 1.00 37.48 ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.308  -9.576  -19.229 1.00 46.63 ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.188  -11.059 -19.145 1.00 48.80 ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.489  -11.799 -20.080 1.00 55.79 ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.663  -11.940 -18.240 1.00 52.96 ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.542  -13.077 -19.756 1.00 51.44 ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.255  -13.191 -18.631 1.00 55.57 ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.113 -10.584 -21.096 1.00 28.29 ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.719 -11.110 -22.360 1.00 23.50 ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.845 -10.202 -22.836 1.00 21.82 ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.693 -10.680 -23.612 1.00 18.72 ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.242 -12.528 -22.171 1.00 23.22 ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.169 -13.474 -21.763 1.00 23.86 ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.142  -13.812 -22.622 1.00 23.97 ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -9.978  -14.148 -20.615 1.00 25.63 ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.333  -14.661 -22.000 1.00 24.09 ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -8.810  -14.880 -20.774 1.00 27.84 ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -11.895 -8.975  -22.337 1.00 21.43 ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -12.958 -8.003  -22.692 1.00 23.57 ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -13.054 -7.835  -24.211 1.00 24.09 ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -12.006 -7.711  -24.922 1.00 26.67 ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.675 -6.647  -22.035 1.00 29.31 ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.709 -5.564  -22.327 1.00 36.33 ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.288 -5.775  -21.429 1.00 46.60 ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -14.818 -5.183  -19.808 1.00 34.82 ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.285 -7.804  -24.724 1.00 19.21 ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.617 -7.602  -26.160 1.00 19.76 ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.606 -6.426  -26.239 1.00 20.06 ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.471 -6.264  -25.332 1.00 19.92 ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.141 -8.864  -26.869 1.00 20.87 ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -14.030 -9.892  -27.036 1.00 24.25 ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.338 -9.508  -26.184 1.00 21.67 ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.516 -5.645  -27.307 1.00 19.66 ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.400 -4.488  -27.572 1.00 19.34 ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.621 -4.985  -28.331 1.00 19.42 ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.537 -5.288  -29.515 1.00 22.88 ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.681 -3.420  -28.391 1.00 20.67 ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.436 -2.148  -28.585 1.00 25.00 ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.531 -1.201  -27.591 1.00 28.92 ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.147 -1.680  -29.639 1.00 29.11 ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.246 -0.172  -28.027 1.00 26.06 ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.653 -0.451  -29.293 1.00 30.40 ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.720 -5.124  -27.628 1.00 15.18 ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -19.974 -5.627  -28.228 1.00 14.87 ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.782 -4.431  -28.771 1.00 15.11 ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.858 -3.409  -28.107 1.00 15.28 ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.778 -6.443  -27.190 1.00 15.05 ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -19.981 -7.663  -26.706 1.00 15.76 ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.128 -6.838  -27.775 1.00 14.99 ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.422 -8.564  -27.786 1.00 16.22 ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.403 -4.636  -29.914 1.00 14.20 ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.390 -3.657  -30.452 1.00 15.17 ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.641 -4.423  -30.857 1.00 15.69 ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.579 -5.634  -31.097 1.00 16.35 ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.815 -2.850  -31.623 1.00 17.16 ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.475 -3.751  -32.666 1.00 18.92 ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.645 -1.955  -31.244 1.00 19.03 ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.791 -3.727  -30.840 1.00 13.70 ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -26.095 -4.373  -31.111 1.00 13.22 ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.385 -4.363  -32.603 1.00 13.03 ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -26.040 -3.346  -33.279 1.00 15.76 ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.155 -3.611  -30.344 1.00 13.63 ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -26.943 -3.673  -28.848 1.00 12.98 ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -27.893 -2.733  -28.095 1.00 15.64 ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -27.008 -5.125  -28.330 1.00 15.39 ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -26.972 -5.395  -33.112 1.00 12.23 ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.349 -5.575  -34.531 1.00 12.91 ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -28.846 -5.207  -34.693 1.00 13.09 ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.728 -6.002  -34.407 1.00 12.82 ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -27.071 -6.992  -35.024 1.00 13.66 ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.368 -7.271  -36.490 1.00 17.47 ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -28.029 -6.395  -37.107 1.00 17.48 ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -27.078 -8.376  -36.978 1.00 17.99 ? 20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -29.062 -3.976  -35.184 0.25 14.64 ? 21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -29.087 -3.983  -35.182 0.25 15.12 ? 21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.386 -3.349  -35.475 0.25 15.63 ? 21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.444 -3.396  -35.385 0.25 16.30 ? 21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.301 -4.290  -36.254 0.25 15.25 ? 21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.321 -4.303  -36.251 0.25 15.68 ? 21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.518 -4.287  -35.996 0.25 15.30 ? 21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.546 -4.321  -36.030 0.25 15.56 ? 21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.205 -2.090  -36.337 0.25 17.70 ? 21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.349 -2.012  -36.044 0.25 19.37 ? 21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.396 -0.996  -35.663 0.25 19.53 ? 21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.919 -0.901  -35.100 0.25 21.54 ? 21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.267 0.254   -36.524 0.25 20.39 ? 21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.501 -0.412  -35.346 0.25 24.81 ? 21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -28.746 1.331   -35.701 0.25 21.49 ? 21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -28.365 0.635   -36.363 0.25 26.12 ? 21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.460 1.944   -34.777 0.25 21.04 ? 21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -27.876 0.456   -37.590 0.25 29.14 ? 21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.726 1.613   -34.615 0.25 22.25 ? 21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -27.486 -0.739  -37.995 0.25 30.81 ? 21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -28.921 2.886   -34.032 0.25 21.57 ? 21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -27.792 1.479   -38.421 0.25 30.43 ? 21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.738 -5.040  -37.200 1.00 14.64 ? 22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.535 -5.878  -38.110 1.00 15.97 ? 22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.226 -7.032  -37.390 1.00 14.36 ? 22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.193 -7.556  -37.880 1.00 14.63 ? 22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.694 -6.354  -39.299 1.00 19.94 ? 22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.442 -5.227  -40.280 1.00 26.82 ? 22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -31.165 -4.229  -40.305 1.00 32.40 ? 22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.396 -5.377  -41.070 1.00 36.50 ? 22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.681 -7.450  -36.220 1.00 12.74 ? 23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.212 -8.564  -35.418 1.00 12.42 ? 23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.237 -8.071  -34.409 1.00 11.56 ? 23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -33.909 -8.914  -33.801 1.00 11.59 ? 23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -31.104 -9.359  -34.706 1.00 12.56 ? 23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.549 -8.557  -33.662 1.00 12.34 ? 23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -30.050 -9.890  -35.668 1.00 13.60 ? 23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.305 -6.780  -34.212 1.00 11.29 ? 24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -34.114 -6.236  -33.097 1.00 11.42 ? 24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.610 -6.447  -33.321 1.00 11.11 ? 24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -36.119 -6.166  -34.438 1.00 12.55 ? 24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -33.814 -4.785  -32.914 1.00 12.37 ? 24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.354 -6.769  -32.303 1.00 10.93 ? 25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -37.818 -6.552  -32.314 1.00 11.05 ? 25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -38.093 -5.117  -32.767 1.00 10.36 ? 25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.372 -4.170  -32.440 1.00 10.64 ? 25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.351 -6.879  -30.940 1.00 11.79 ? 25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -39.837 -6.624  -30.850 1.00 13.14 ? 25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.275 -5.496  -30.617 1.00 14.28 ? 25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.608 -7.651  -31.063 1.00 16.80 ? 25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.166 -4.967  -33.537 1.00 10.64 ? 26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.523 -3.691  -34.196 1.00 11.41 ? 26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -39.910 -2.603  -33.196 1.00 11.14 ? 26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -40.008 -1.442  -33.667 1.00 12.69 ? 26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.645 -3.882  -35.199 1.00 12.94 ? 26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.759 -4.368  -34.513 1.00 15.40 ? 26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -40.110 -2.864  -31.920 1.00 10.13 ? 27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.413 -1.816  -30.922 1.00 11.55 ? 27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.143 -1.315  -30.226 1.00 11.18 ? 27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.267 -0.414  -29.405 1.00 11.93 ? 27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.395 -2.353  -29.915 1.00 12.10 ? 27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.796 -2.444  -30.449 1.00 13.41 ? 27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.204 -2.953  -31.646 1.00 13.06 ? 27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -43.972 -2.024  -29.759 1.00 14.69 ? 27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.580 -2.872  -31.751 1.00 15.43 ? 27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -45.061 -2.329  -30.607 1.00 14.58 ? 27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -44.204 -1.404  -28.531 1.00 16.43 ? 27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.388 -2.052  -30.232 1.00 17.05 ? 27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.514 -1.134  -28.163 1.00 18.56 ? 27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.576 -1.497  -28.990 1.00 18.94 ? 27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -37.968 -1.907  -30.511 1.00 10.71 ? 28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.751 -1.501  -29.785 1.00 11.20 ? 28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.162 -0.250  -30.415 1.00 11.61 ? 28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.167 -0.070  -31.637 1.00 12.34 ? 28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.728 -2.633  -29.777 1.00 10.59 ? 28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.173 -3.896  -29.044 1.00 11.22 ? 28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -35.065 -4.935  -29.027 1.00 11.79 ? 28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.580 -3.622  -27.640 1.00 12.38 ? 28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.523 0.516   -29.562 1.00 11.10 ? 29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.734 1.713   -29.937 1.00 12.53 ? 29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.294 1.491   -29.496 1.00 12.53 ? 29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -33.027 1.390   -28.266 1.00 12.29 ? 29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.283 2.969   -29.308 1.00 12.87 ? 29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.758 3.217   -29.696 1.00 13.70 ? 29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.421 4.197   -29.669 1.00 14.68 ? 29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.410 4.330   -28.947 1.00 15.89 ? 29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.448 1.379   -30.489 1.00 14.22 ? 30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -30.992 1.190   -30.272 1.00 14.69 ? 30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.274 2.509   -30.459 1.00 15.09 ? 30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.548 3.263   -31.457 1.00 16.85 ? 30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.471 0.118   -31.208 1.00 15.68 ? 30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -31.035 -1.232  -30.803 1.00 18.66 ? 30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -28.948 0.050   -31.209 1.00 16.23 ? 30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -30.894 -2.246  -31.791 1.00 21.84 ? 30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.419 2.896   -29.553 1.00 15.37 ? 31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.714 4.177   -29.632 1.00 15.76 ? 31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -27.781 4.232   -30.847 1.00 14.56 ? 31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.430 3.258   -31.428 1.00 15.39 ? 31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -27.984 4.373   -28.361 1.00 16.06 ? 31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -26.982 3.360   -28.187 1.00 16.38 ? 31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.435 5.478   -31.219 1.00 18.75 ? 32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.505 5.767   -32.344 1.00 19.50 ? 32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.225 4.938   -32.225 1.00 17.24 ? 32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -24.778 4.436   -33.233 1.00 20.26 ? 32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -26.141 7.261   -32.329 1.00 22.88 ? 32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -25.205 7.686   -33.436 1.00 26.05 ? 32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.403 9.137   -33.719 1.00 27.09 ? 32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -25.226 9.956   -32.467 1.00 31.77 ? 32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.270 11.382  -32.827 1.00 33.87 ? 32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.656 4.870   -31.024 1.00 18.03 ? 33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.377 4.138   -30.808 1.00 17.25 ? 33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.605 2.612   -30.781 1.00 15.19 ? 33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.599 1.857   -30.688 1.00 16.11 ? 33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.618 4.623   -29.581 1.00 19.43 ? 33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.277 4.360   -28.248 1.00 20.50 ? 33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.377 3.722   -28.240 1.00 19.28 ? 33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.669 4.765   -27.242 1.00 22.45 ? 33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -24.827 2.120   -30.904 1.00 14.26 ? 34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.195 0.690   -30.876 1.00 14.27 ? 34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.741 0.043   -29.560 1.00 11.95 ? 34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.595 -1.205  -29.562 1.00 13.15 ? 34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.700 -0.008  -32.146 1.00 18.38 ? 34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.278 0.635   -33.406 1.00 23.24 ? 34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -24.984 -0.093  -34.680 1.00 30.38 ? 34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.563 -0.268  -34.879 1.00 37.66 ? 34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.874 -1.416  -34.755 1.00 49.79 ? 34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.466 -2.571  -34.445 1.00 45.37 ? 34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.565 -1.400  -34.972 1.00 55.30 ? 34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.715 0.766   -28.499 1.00 11.39 ? 35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.328 0.232   -27.180 1.00 12.92 ? 35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.467 0.233   -26.166 1.00 12.66 ? 35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.280 -0.306  -25.068 1.00 13.86 ? 35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.141 1.022   -26.607 1.00 13.73 ? 35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -21.889 0.943   -27.468 1.00 15.96 ? 35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -21.033 -0.276  -27.256 1.00 17.55 ? 35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.279 -0.114  -26.013 1.00 18.41 ? 35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.555 -1.066  -25.412 1.00 17.34 ? 35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.460 -2.238  -25.977 1.00 17.89 ? 35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -18.927 -0.792  -24.290 1.00 19.16 ? 35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.604 0.847   -26.444 1.00 11.94 ? 36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -27.777 0.866   -25.560 1.00 12.91 ? 36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -29.032 0.457   -26.316 1.00 11.32 ? 36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.172 0.740   -27.539 1.00 12.85 ? 36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -27.996 2.264   -24.989 1.00 14.95 ? 36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -26.748 2.863   -24.370 1.00 17.54 ? 36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -27.088 4.110   -23.582 1.00 21.66 ? 36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.240 4.345   -23.188 1.00 24.41 ? 36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -26.067 4.896   -23.315 1.00 26.38 ? 36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -29.969 -0.137  -25.595 1.00 11.03 ? 37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.261 -0.527  -26.199 1.00 10.77 ? 37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.348 -0.371  -25.157 1.00 11.02 ? 37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.172 -0.734  -24.006 1.00 10.76 ? 37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.216 -1.930  -26.803 1.00 10.30 ? 37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -30.784 -3.003  -25.792 1.00 10.71 ? 37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.535 -2.301  -27.444 1.00 10.98 ? 37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.500 0.145   -25.575 1.00 11.14 ? 38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.690 0.198   -24.708 1.00 11.41 ? 38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -35.948 -0.094  -25.535 1.00 11.34 ? 38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -35.951 -0.007  -26.758 1.00 11.05 ? 38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.816 1.559   -24.030 1.00 13.23 ? 38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -35.126 2.690   -24.983 1.00 14.76 ? 38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -35.047 4.017   -24.226 1.00 17.58 ? 38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -35.348 5.138   -25.090 1.00 22.21 ? 38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -36.547 5.601   -25.359 1.00 18.52 ? 38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -37.641 5.065   -24.876 1.00 22.63 ? 38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -36.625 6.660   -26.180 1.00 25.39 ? 38  ARG B NH2 1 
ATOM   283  N N   A MET A 1 33  ? -36.993 -0.382  -24.767 0.43 10.81 ? 39  MET B N   1 
ATOM   284  N N   B MET A 1 33  ? -37.017 -0.514  -24.867 0.42 11.74 ? 39  MET B N   1 
ATOM   285  C CA  A MET A 1 33  ? -38.360 -0.647  -25.277 0.43 12.17 ? 39  MET B CA  1 
ATOM   286  C CA  B MET A 1 33  ? -38.296 -0.787  -25.591 0.42 12.86 ? 39  MET B CA  1 
ATOM   287  C C   A MET A 1 33  ? -39.009 0.699   -25.647 0.43 11.88 ? 39  MET B C   1 
ATOM   288  C C   B MET A 1 33  ? -39.098 0.509   -25.637 0.42 12.44 ? 39  MET B C   1 
ATOM   289  O O   A MET A 1 33  ? -39.029 1.611   -24.852 0.43 12.80 ? 39  MET B O   1 
ATOM   290  O O   B MET A 1 33  ? -39.431 1.054   -24.507 0.42 11.48 ? 39  MET B O   1 
ATOM   291  C CB  A MET A 1 33  ? -39.160 -1.401  -24.207 0.43 12.47 ? 39  MET B CB  1 
ATOM   292  C CB  B MET A 1 33  ? -39.182 -1.874  -24.970 0.42 15.31 ? 39  MET B CB  1 
ATOM   293  C CG  A MET A 1 33  ? -40.527 -1.908  -24.673 0.43 14.35 ? 39  MET B CG  1 
ATOM   294  C CG  B MET A 1 33  ? -40.513 -2.140  -25.789 0.42 15.86 ? 39  MET B CG  1 
ATOM   295  S SD  A MET A 1 33  ? -40.406 -2.990  -26.156 0.43 18.14 ? 39  MET B SD  1 
ATOM   296  S SD  B MET A 1 33  ? -41.304 -3.588  -25.069 0.42 18.07 ? 39  MET B SD  1 
ATOM   297  C CE  A MET A 1 33  ? -42.026 -3.740  -26.198 0.43 17.20 ? 39  MET B CE  1 
ATOM   298  C CE  B MET A 1 33  ? -42.734 -3.640  -26.151 0.42 18.99 ? 39  MET B CE  1 
ATOM   299  N N   . GLY A 1 34  ? -39.388 0.879   -26.896 1.00 12.80 ? 40  GLY B N   1 
ATOM   300  C CA  . GLY A 1 34  ? -40.210 2.053   -27.255 1.00 14.77 ? 40  GLY B CA  1 
ATOM   301  C C   . GLY A 1 34  ? -41.663 1.837   -26.869 1.00 15.42 ? 40  GLY B C   1 
ATOM   302  O O   . GLY A 1 34  ? -42.072 0.758   -26.467 1.00 15.44 ? 40  GLY B O   1 
ATOM   303  N N   . ASP A 1 35  ? -42.447 2.933   -26.858 1.00 19.94 ? 41  ASP B N   1 
ATOM   304  C CA  . ASP A 1 35  ? -43.896 2.845   -26.486 1.00 21.67 ? 41  ASP B CA  1 
ATOM   305  C C   . ASP A 1 35  ? -44.717 2.487   -27.753 1.00 20.82 ? 41  ASP B C   1 
ATOM   306  O O   . ASP A 1 35  ? -45.955 2.292   -27.588 1.00 21.29 ? 41  ASP B O   1 
ATOM   307  C CB  . ASP A 1 35  ? -44.374 4.094   -25.700 1.00 26.30 ? 41  ASP B CB  1 
ATOM   308  C CG  . ASP A 1 35  ? -43.946 4.213   -24.221 1.00 32.84 ? 41  ASP B CG  1 
ATOM   309  O OD1 . ASP A 1 35  ? -43.845 3.182   -23.514 1.00 36.18 ? 41  ASP B OD1 1 
ATOM   310  O OD2 . ASP A 1 35  ? -43.770 5.352   -23.748 1.00 34.31 ? 41  ASP B OD2 1 
ATOM   311  N N   . THR A 1 36  ? -44.105 2.279   -28.921 1.00 17.18 ? 42  THR B N   1 
ATOM   312  C CA  . THR A 1 36  ? -44.791 1.912   -30.209 1.00 16.66 ? 42  THR B CA  1 
ATOM   313  C C   . THR A 1 36  ? -43.845 1.220   -31.194 1.00 14.57 ? 42  THR B C   1 
ATOM   314  O O   . THR A 1 36  ? -42.548 1.210   -30.997 1.00 14.02 ? 42  THR B O   1 
ATOM   315  C CB  . THR A 1 36  ? -45.367 3.220   -30.750 1.00 18.49 ? 42  THR B CB  1 
ATOM   316  O OG1 . THR A 1 36  ? -46.223 2.885   -31.824 1.00 21.25 ? 42  THR B OG1 1 
ATOM   317  C CG2 . THR A 1 36  ? -44.281 4.175   -31.183 1.00 20.83 ? 42  THR B CG2 1 
ATOM   318  N N   . HIS A 1 37  ? -44.336 0.739   -32.328 1.00 14.74 ? 43  HIS B N   1 
ATOM   319  C CA  . HIS A 1 37  ? -43.506 0.275   -33.461 1.00 14.01 ? 43  HIS B CA  1 
ATOM   320  C C   . HIS A 1 37  ? -42.558 1.380   -33.900 1.00 14.98 ? 43  HIS B C   1 
ATOM   321  O O   . HIS A 1 37  ? -43.028 2.544   -34.111 1.00 15.37 ? 43  HIS B O   1 
ATOM   322  C CB  . HIS A 1 37  ? -44.434 -0.218  -34.592 1.00 13.48 ? 43  HIS B CB  1 
ATOM   323  C CG  . HIS A 1 37  ? -43.823 -0.875  -35.764 1.00 13.81 ? 43  HIS B CG  1 
ATOM   324  N ND1 . HIS A 1 37  ? -43.058 -0.214  -36.703 1.00 13.94 ? 43  HIS B ND1 1 
ATOM   325  C CD2 . HIS A 1 37  ? -43.905 -2.166  -36.198 1.00 13.07 ? 43  HIS B CD2 1 
ATOM   326  C CE1 . HIS A 1 37  ? -42.712 -1.050  -37.646 1.00 13.75 ? 43  HIS B CE1 1 
ATOM   327  N NE2 . HIS A 1 37  ? -43.224 -2.293  -37.348 1.00 13.91 ? 43  HIS B NE2 1 
ATOM   328  N N   . GLN A 1 38  ? -41.296 1.066   -34.172 1.00 12.92 ? 44  GLN B N   1 
ATOM   329  C CA  . GLN A 1 38  ? -40.263 2.080   -34.455 1.00 12.94 ? 44  GLN B CA  1 
ATOM   330  C C   . GLN A 1 38  ? -40.068 2.342   -35.951 1.00 14.20 ? 44  GLN B C   1 
ATOM   331  O O   . GLN A 1 38  ? -39.038 2.919   -36.351 1.00 15.96 ? 44  GLN B O   1 
ATOM   332  C CB  . GLN A 1 38  ? -38.959 1.694   -33.752 1.00 13.45 ? 44  GLN B CB  1 
ATOM   333  C CG  . GLN A 1 38  ? -39.108 1.747   -32.263 1.00 13.38 ? 44  GLN B CG  1 
ATOM   334  C CD  . GLN A 1 38  ? -39.567 3.085   -31.749 1.00 12.84 ? 44  GLN B CD  1 
ATOM   335  O OE1 . GLN A 1 38  ? -40.511 3.207   -30.957 1.00 16.65 ? 44  GLN B OE1 1 
ATOM   336  N NE2 . GLN A 1 38  ? -38.928 4.142   -32.218 1.00 12.54 ? 44  GLN B NE2 1 
ATOM   337  N N   . ASN A 1 39  ? -41.037 1.962   -36.776 1.00 14.12 ? 45  ASN B N   1 
ATOM   338  C CA  . ASN A 1 39  ? -41.129 2.440   -38.186 1.00 12.84 ? 45  ASN B CA  1 
ATOM   339  C C   . ASN A 1 39  ? -40.046 1.826   -39.044 1.00 14.33 ? 45  ASN B C   1 
ATOM   340  O O   . ASN A 1 39  ? -39.562 2.443   -40.014 1.00 16.21 ? 45  ASN B O   1 
ATOM   341  C CB  . ASN A 1 39  ? -41.136 3.983   -38.306 1.00 13.15 ? 45  ASN B CB  1 
ATOM   342  C CG  . ASN A 1 39  ? -41.806 4.421   -39.600 1.00 12.85 ? 45  ASN B CG  1 
ATOM   343  O OD1 . ASN A 1 39  ? -42.694 3.748   -40.130 1.00 12.70 ? 45  ASN B OD1 1 
ATOM   344  N ND2 . ASN A 1 39  ? -41.369 5.546   -40.165 1.00 13.18 ? 45  ASN B ND2 1 
ATOM   345  N N   . VAL A 1 40  ? -39.712 0.570   -38.796 1.00 16.04 ? 46  VAL B N   1 
ATOM   346  C CA  . VAL A 1 40  ? -38.743 -0.255  -39.568 1.00 16.32 ? 46  VAL B CA  1 
ATOM   347  C C   . VAL A 1 40  ? -39.499 -1.318  -40.391 1.00 15.05 ? 46  VAL B C   1 
ATOM   348  O O   . VAL A 1 40  ? -40.560 -1.717  -39.945 1.00 15.83 ? 46  VAL B O   1 
ATOM   349  C CB  . VAL A 1 40  ? -37.693 -0.923  -38.642 1.00 18.46 ? 46  VAL B CB  1 
ATOM   350  C CG1 . VAL A 1 40  ? -36.787 0.132   -38.016 1.00 21.44 ? 46  VAL B CG1 1 
ATOM   351  C CG2 . VAL A 1 40  ? -38.315 -1.799  -37.552 1.00 19.32 ? 46  VAL B CG2 1 
ATOM   352  N N   . SER A 1 41  ? -38.949 -1.790  -41.496 1.00 16.80 ? 47  SER B N   1 
ATOM   353  C CA  . SER A 1 41  ? -39.506 -2.922  -42.256 1.00 17.29 ? 47  SER B CA  1 
ATOM   354  C C   . SER A 1 41  ? -39.298 -4.222  -41.484 1.00 16.34 ? 47  SER B C   1 
ATOM   355  O O   . SER A 1 41  ? -38.315 -4.350  -40.678 1.00 16.01 ? 47  SER B O   1 
ATOM   356  C CB  . SER A 1 41  ? -38.883 -2.998  -43.620 1.00 19.93 ? 47  SER B CB  1 
ATOM   357  O OG  . SER A 1 41  ? -37.477 -3.133  -43.520 1.00 22.76 ? 47  SER B OG  1 
ATOM   358  N N   . ASP A 1 42  ? -40.139 -5.201  -41.715 1.00 16.62 ? 48  ASP B N   1 
ATOM   359  C CA  . ASP A 1 42  ? -39.978 -6.541  -41.123 1.00 17.34 ? 48  ASP B CA  1 
ATOM   360  C C   . ASP A 1 42  ? -38.942 -7.303  -41.935 1.00 18.29 ? 48  ASP B C   1 
ATOM   361  O O   . ASP A 1 42  ? -38.672 -6.965  -43.112 1.00 18.65 ? 48  ASP B O   1 
ATOM   362  C CB  . ASP A 1 42  ? -41.319 -7.247  -41.026 1.00 19.05 ? 48  ASP B CB  1 
ATOM   363  C CG  . ASP A 1 42  ? -41.157 -8.530  -40.260 1.00 23.74 ? 48  ASP B CG  1 
ATOM   364  O OD1 . ASP A 1 42  ? -40.443 -8.523  -39.177 1.00 17.74 ? 48  ASP B OD1 1 
ATOM   365  O OD2 . ASP A 1 42  ? -41.590 -9.559  -40.858 1.00 29.12 ? 48  ASP B OD2 1 
ATOM   366  N N   . ASN A 1 43  ? -38.326 -8.313  -41.308 1.00 16.66 ? 49  ASN B N   1 
ATOM   367  C CA  . ASN A 1 43  ? -37.345 -9.178  -41.990 1.00 17.73 ? 49  ASN B CA  1 
ATOM   368  C C   . ASN A 1 43  ? -37.284 -10.469 -41.185 1.00 18.68 ? 49  ASN B C   1 
ATOM   369  O O   . ASN A 1 43  ? -37.876 -10.547 -40.073 1.00 18.75 ? 49  ASN B O   1 
ATOM   370  C CB  . ASN A 1 43  ? -36.026 -8.469  -42.167 1.00 17.21 ? 49  ASN B CB  1 
ATOM   371  C CG  . ASN A 1 43  ? -35.272 -8.301  -40.864 1.00 17.14 ? 49  ASN B CG  1 
ATOM   372  O OD1 . ASN A 1 43  ? -35.123 -9.277  -40.115 1.00 18.41 ? 49  ASN B OD1 1 
ATOM   373  N ND2 . ASN A 1 43  ? -34.793 -7.140  -40.566 1.00 16.22 ? 49  ASN B ND2 1 
ATOM   374  N N   . LYS A 1 44  ? -36.652 -11.482 -41.751 1.00 19.47 ? 50  LYS B N   1 
ATOM   375  C CA  . LYS A 1 44  ? -36.679 -12.849 -41.172 1.00 20.67 ? 50  LYS B CA  1 
ATOM   376  C C   . LYS A 1 44  ? -35.803 -12.916 -39.906 1.00 17.15 ? 50  LYS B C   1 
ATOM   377  O O   . LYS A 1 44  ? -36.005 -13.871 -39.146 1.00 18.95 ? 50  LYS B O   1 
ATOM   378  C CB  . LYS A 1 44  ? -36.151 -13.883 -42.180 1.00 23.81 ? 50  LYS B CB  1 
ATOM   379  C CG  . LYS A 1 44  ? -34.722 -13.641 -42.617 1.00 28.94 ? 50  LYS B CG  1 
ATOM   380  C CD  . LYS A 1 44  ? -34.308 -14.415 -43.863 1.00 38.34 ? 50  LYS B CD  1 
ATOM   381  C CE  . LYS A 1 44  ? -32.827 -14.724 -43.866 1.00 42.38 ? 50  LYS B CE  1 
ATOM   382  N NZ  . LYS A 1 44  ? -32.584 -16.103 -44.346 1.00 48.99 ? 50  LYS B NZ  1 
ATOM   383  N N   . GLU A 1 45  ? -34.902 -11.974 -39.737 1.00 16.19 ? 51  GLU B N   1 
ATOM   384  C CA  . GLU A 1 45  ? -33.994 -11.969 -38.546 1.00 15.90 ? 51  GLU B CA  1 
ATOM   385  C C   . GLU A 1 45  ? -34.697 -11.436 -37.287 1.00 15.53 ? 51  GLU B C   1 
ATOM   386  O O   . GLU A 1 45  ? -34.228 -11.745 -36.150 1.00 15.63 ? 51  GLU B O   1 
ATOM   387  C CB  . GLU A 1 45  ? -32.771 -11.119 -38.795 1.00 18.00 ? 51  GLU B CB  1 
ATOM   388  C CG  . GLU A 1 45  ? -31.908 -11.499 -40.008 1.00 23.46 ? 51  GLU B CG  1 
ATOM   389  C CD  . GLU A 1 45  ? -30.724 -10.544 -40.178 1.00 29.62 ? 51  GLU B CD  1 
ATOM   390  O OE1 . GLU A 1 45  ? -30.708 -9.768  -41.170 1.00 36.74 ? 51  GLU B OE1 1 
ATOM   391  O OE2 . GLU A 1 45  ? -29.830 -10.506 -39.300 1.00 33.14 ? 51  GLU B OE2 1 
ATOM   392  N N   . ARG A 1 46  ? -35.719 -10.582 -37.395 1.00 13.91 ? 52  ARG B N   1 
ATOM   393  C CA  . ARG A 1 46  ? -36.240 -9.894  -36.176 1.00 12.86 ? 52  ARG B CA  1 
ATOM   394  C C   . ARG A 1 46  ? -36.944 -10.845 -35.246 1.00 12.53 ? 52  ARG B C   1 
ATOM   395  O O   . ARG A 1 46  ? -37.800 -11.637 -35.653 1.00 13.76 ? 52  ARG B O   1 
ATOM   396  C CB  . ARG A 1 46  ? -37.222 -8.784  -36.573 1.00 11.92 ? 52  ARG B CB  1 
ATOM   397  C CG  . ARG A 1 46  ? -36.637 -7.678  -37.413 1.00 13.48 ? 52  ARG B CG  1 
ATOM   398  C CD  . ARG A 1 46  ? -37.544 -6.407  -37.357 1.00 13.16 ? 52  ARG B CD  1 
ATOM   399  N NE  . ARG A 1 46  ? -37.013 -5.386  -38.237 1.00 14.89 ? 52  ARG B NE  1 
ATOM   400  C CZ  . ARG A 1 46  ? -35.934 -4.654  -38.029 1.00 14.98 ? 52  ARG B CZ  1 
ATOM   401  N NH1 . ARG A 1 46  ? -35.318 -4.689  -36.843 1.00 13.88 ? 52  ARG B NH1 1 
ATOM   402  N NH2 . ARG A 1 46  ? -35.451 -3.839  -38.965 1.00 17.42 ? 52  ARG B NH2 1 
ATOM   403  N N   . PHE A 1 47  ? -36.655 -10.750 -33.951 1.00 12.04 ? 53  PHE B N   1 
ATOM   404  C CA  . PHE A 1 47  ? -37.451 -11.457 -32.952 1.00 11.76 ? 53  PHE B CA  1 
ATOM   405  C C   . PHE A 1 47  ? -38.873 -10.853 -32.955 1.00 13.09 ? 53  PHE B C   1 
ATOM   406  O O   . PHE A 1 47  ? -39.037 -9.653  -32.711 1.00 13.08 ? 53  PHE B O   1 
ATOM   407  C CB  . PHE A 1 47  ? -36.830 -11.335 -31.566 1.00 10.59 ? 53  PHE B CB  1 
ATOM   408  C CG  . PHE A 1 47  ? -35.589 -12.188 -31.414 1.00 10.54 ? 53  PHE B CG  1 
ATOM   409  C CD1 . PHE A 1 47  ? -35.703 -13.549 -31.165 1.00 10.83 ? 53  PHE B CD1 1 
ATOM   410  C CD2 . PHE A 1 47  ? -34.321 -11.644 -31.527 1.00 11.05 ? 53  PHE B CD2 1 
ATOM   411  C CE1 . PHE A 1 47  ? -34.578 -14.349 -31.040 1.00 11.91 ? 53  PHE B CE1 1 
ATOM   412  C CE2 . PHE A 1 47  ? -33.181 -12.455 -31.367 1.00 11.23 ? 53  PHE B CE2 1 
ATOM   413  C CZ  . PHE A 1 47  ? -33.347 -13.797 -31.124 1.00 10.71 ? 53  PHE B CZ  1 
ATOM   414  N N   . SER A 1 48  ? -39.899 -11.650 -33.164 1.00 13.63 ? 54  SER B N   1 
ATOM   415  C CA  . SER A 1 48  ? -41.296 -11.146 -33.330 1.00 14.84 ? 54  SER B CA  1 
ATOM   416  C C   . SER A 1 48  ? -42.008 -11.059 -32.000 1.00 14.62 ? 54  SER B C   1 
ATOM   417  O O   . SER A 1 48  ? -42.812 -10.075 -31.824 1.00 16.93 ? 54  SER B O   1 
ATOM   418  C CB  . SER A 1 48  ? -42.087 -12.043 -34.303 1.00 16.22 ? 54  SER B CB  1 
ATOM   419  O OG  . SER A 1 48  ? -42.172 -13.372 -33.855 1.00 15.92 ? 54  SER B OG  1 
ATOM   420  N N   . ASN A 1 49  ? -41.885 -11.982 -31.088 1.00 13.75 ? 55  ASN B N   1 
ATOM   421  C CA  . ASN A 1 49  ? -42.816 -12.145 -29.955 1.00 15.27 ? 55  ASN B CA  1 
ATOM   422  C C   . ASN A 1 49  ? -42.311 -11.416 -28.710 1.00 13.99 ? 55  ASN B C   1 
ATOM   423  O O   . ASN A 1 49  ? -43.081 -11.246 -27.765 1.00 15.54 ? 55  ASN B O   1 
ATOM   424  C CB  . ASN A 1 49  ? -43.061 -13.612 -29.563 1.00 16.51 ? 55  ASN B CB  1 
ATOM   425  C CG  . ASN A 1 49  ? -43.940 -14.385 -30.534 1.00 18.06 ? 55  ASN B CG  1 
ATOM   426  O OD1 . ASN A 1 49  ? -43.769 -14.261 -31.724 1.00 20.09 ? 55  ASN B OD1 1 
ATOM   427  N ND2 . ASN A 1 49  ? -44.862 -15.192 -29.997 1.00 21.34 ? 55  ASN B ND2 1 
ATOM   428  N N   . TYR A 1 50  ? -41.003 -11.110 -28.630 1.00 12.90 ? 56  TYR B N   1 
ATOM   429  C CA  . TYR A 1 50  ? -40.379 -10.604 -27.378 1.00 11.84 ? 56  TYR B CA  1 
ATOM   430  C C   . TYR A 1 50  ? -39.419 -9.474  -27.722 1.00 10.24 ? 56  TYR B C   1 
ATOM   431  O O   . TYR A 1 50  ? -38.914 -9.408  -28.823 1.00 11.48 ? 56  TYR B O   1 
ATOM   432  C CB  . TYR A 1 50  ? -39.588 -11.745 -26.733 1.00 11.98 ? 56  TYR B CB  1 
ATOM   433  C CG  . TYR A 1 50  ? -40.306 -13.077 -26.664 1.00 13.11 ? 56  TYR B CG  1 
ATOM   434  C CD1 . TYR A 1 50  ? -41.317 -13.262 -25.728 1.00 15.50 ? 56  TYR B CD1 1 
ATOM   435  C CD2 . TYR A 1 50  ? -39.986 -14.158 -27.478 1.00 14.05 ? 56  TYR B CD2 1 
ATOM   436  C CE1 . TYR A 1 50  ? -41.986 -14.483 -25.606 1.00 16.70 ? 56  TYR B CE1 1 
ATOM   437  C CE2 . TYR A 1 50  ? -40.694 -15.351 -27.419 1.00 15.27 ? 56  TYR B CE2 1 
ATOM   438  C CZ  . TYR A 1 50  ? -41.660 -15.527 -26.448 1.00 15.19 ? 56  TYR B CZ  1 
ATOM   439  O OH  . TYR A 1 50  ? -42.274 -16.755 -26.402 1.00 16.26 ? 56  TYR B OH  1 
ATOM   440  N N   . PRO A 1 51  ? -39.118 -8.587  -26.746 1.00 10.67 ? 57  PRO B N   1 
ATOM   441  C CA  . PRO A 1 51  ? -38.266 -7.421  -26.974 1.00 10.43 ? 57  PRO B CA  1 
ATOM   442  C C   . PRO A 1 51  ? -36.756 -7.755  -26.963 1.00 9.49  ? 57  PRO B C   1 
ATOM   443  O O   . PRO A 1 51  ? -35.985 -7.218  -26.177 1.00 9.93  ? 57  PRO B O   1 
ATOM   444  C CB  . PRO A 1 51  ? -38.664 -6.426  -25.841 1.00 12.57 ? 57  PRO B CB  1 
ATOM   445  C CG  . PRO A 1 51  ? -39.871 -7.041  -25.171 1.00 14.50 ? 57  PRO B CG  1 
ATOM   446  C CD  . PRO A 1 51  ? -39.775 -8.507  -25.451 1.00 12.15 ? 57  PRO B CD  1 
ATOM   447  N N   . MET A 1 52  ? -36.367 -8.623  -27.904 1.00 9.71  ? 58  MET B N   1 
ATOM   448  C CA  . MET A 1 52  ? -35.023 -9.224  -27.981 1.00 8.70  ? 58  MET B CA  1 
ATOM   449  C C   . MET A 1 52  ? -34.252 -8.640  -29.124 1.00 9.19  ? 58  MET B C   1 
ATOM   450  O O   . MET A 1 52  ? -34.769 -8.168  -30.170 1.00 9.83  ? 58  MET B O   1 
ATOM   451  C CB  . MET A 1 52  ? -35.158 -10.724 -28.151 1.00 9.57  ? 58  MET B CB  1 
ATOM   452  C CG  . MET A 1 52  ? -35.701 -11.433 -26.948 1.00 9.57  ? 58  MET B CG  1 
ATOM   453  S SD  . MET A 1 52  ? -36.195 -13.141 -27.374 1.00 11.11 ? 58  MET B SD  1 
ATOM   454  C CE  . MET A 1 52  ? -36.803 -13.768 -25.809 1.00 12.27 ? 58  MET B CE  1 
ATOM   455  N N   . VAL A 1 53  ? -32.917 -8.700  -28.979 1.00 8.89  ? 59  VAL B N   1 
ATOM   456  C CA  . VAL A 1 53  ? -31.932 -8.241  -29.987 1.00 9.74  ? 59  VAL B CA  1 
ATOM   457  C C   . VAL A 1 53  ? -30.626 -9.029  -29.782 1.00 9.97  ? 59  VAL B C   1 
ATOM   458  O O   . VAL A 1 53  ? -30.325 -9.408  -28.622 1.00 9.85  ? 59  VAL B O   1 
ATOM   459  C CB  . VAL A 1 53  ? -31.730 -6.713  -29.938 1.00 10.13 ? 59  VAL B CB  1 
ATOM   460  C CG1 . VAL A 1 53  ? -31.194 -6.247  -28.600 1.00 10.48 ? 59  VAL B CG1 1 
ATOM   461  C CG2 . VAL A 1 53  ? -30.859 -6.200  -31.078 1.00 10.44 ? 59  VAL B CG2 1 
ATOM   462  N N   . LEU A 1 54  ? -29.869 -9.196  -30.848 1.00 9.39  ? 60  LEU B N   1 
ATOM   463  C CA  . LEU A 1 54  ? -28.547 -9.862  -30.774 1.00 9.51  ? 60  LEU B CA  1 
ATOM   464  C C   . LEU A 1 54  ? -27.432 -8.857  -30.887 1.00 10.56 ? 60  LEU B C   1 
ATOM   465  O O   . LEU A 1 54  ? -27.537 -7.788  -31.589 1.00 11.73 ? 60  LEU B O   1 
ATOM   466  C CB  . LEU A 1 54  ? -28.367 -10.893 -31.877 1.00 10.90 ? 60  LEU B CB  1 
ATOM   467  C CG  . LEU A 1 54  ? -29.432 -11.966 -31.916 1.00 11.21 ? 60  LEU B CG  1 
ATOM   468  C CD1 . LEU A 1 54  ? -29.159 -13.038 -32.988 1.00 12.87 ? 60  LEU B CD1 1 
ATOM   469  C CD2 . LEU A 1 54  ? -29.647 -12.619 -30.565 1.00 11.49 ? 60  LEU B CD2 1 
ATOM   470  N N   . GLY A 1 55  ? -26.266 -9.177  -30.329 1.00 10.48 ? 61  GLY B N   1 
ATOM   471  C CA  . GLY A 1 55  ? -24.998 -8.510  -30.688 1.00 11.11 ? 61  GLY B CA  1 
ATOM   472  C C   . GLY A 1 55  ? -24.614 -8.810  -32.146 1.00 11.35 ? 61  GLY B C   1 
ATOM   473  O O   . GLY A 1 55  ? -24.940 -9.862  -32.652 1.00 12.08 ? 61  GLY B O   1 
ATOM   474  N N   . ALA A 1 56  ? -23.863 -7.901  -32.756 1.00 12.91 ? 62  ALA B N   1 
ATOM   475  C CA  . ALA A 1 56  ? -23.362 -8.086  -34.137 1.00 14.43 ? 62  ALA B CA  1 
ATOM   476  C C   . ALA A 1 56  ? -22.239 -9.124  -34.174 1.00 15.55 ? 62  ALA B C   1 
ATOM   477  O O   . ALA A 1 56  ? -22.085 -9.812  -35.196 1.00 19.34 ? 62  ALA B O   1 
ATOM   478  C CB  . ALA A 1 56  ? -22.891 -6.776  -34.664 1.00 16.18 ? 62  ALA B CB  1 
ATOM   479  N N   . GLN A 1 57  ? -21.492 -9.238  -33.090 1.00 13.77 ? 63  GLN B N   1 
ATOM   480  C CA  . GLN A 1 57  ? -20.295 -10.122 -33.056 1.00 14.58 ? 63  GLN B CA  1 
ATOM   481  C C   . GLN A 1 57  ? -20.726 -11.588 -33.068 1.00 15.37 ? 63  GLN B C   1 
ATOM   482  O O   . GLN A 1 57  ? -21.756 -11.984 -32.447 1.00 16.34 ? 63  GLN B O   1 
ATOM   483  C CB  . GLN A 1 57  ? -19.445 -9.771  -31.830 1.00 17.08 ? 63  GLN B CB  1 
ATOM   484  C CG  . GLN A 1 57  ? -18.766 -8.415  -31.931 1.00 19.17 ? 63  GLN B CG  1 
ATOM   485  C CD  . GLN A 1 57  ? -19.718 -7.238  -31.799 1.00 18.55 ? 63  GLN B CD  1 
ATOM   486  O OE1 . GLN A 1 57  ? -20.672 -7.322  -31.039 1.00 17.37 ? 63  GLN B OE1 1 
ATOM   487  N NE2 . GLN A 1 57  ? -19.488 -6.150  -32.508 1.00 21.13 ? 63  GLN B NE2 1 
ATOM   488  N N   . ARG A 1 58  ? -19.988 -12.435 -33.785 1.00 15.91 ? 64  ARG B N   1 
ATOM   489  C CA  . ARG A 1 58  ? -20.129 -13.896 -33.784 1.00 15.90 ? 64  ARG B CA  1 
ATOM   490  C C   . ARG A 1 58  ? -18.858 -14.525 -33.231 1.00 14.40 ? 64  ARG B C   1 
ATOM   491  O O   . ARG A 1 58  ? -17.744 -14.056 -33.590 1.00 18.30 ? 64  ARG B O   1 
ATOM   492  C CB  . ARG A 1 58  ? -20.304 -14.468 -35.204 1.00 19.92 ? 64  ARG B CB  1 
ATOM   493  C CG  . ARG A 1 58  ? -21.681 -14.324 -35.853 1.00 27.28 ? 64  ARG B CG  1 
ATOM   494  C CD  . ARG A 1 58  ? -22.241 -12.924 -35.734 1.00 29.19 ? 64  ARG B CD  1 
ATOM   495  N NE  . ARG A 1 58  ? -23.090 -12.214 -36.702 1.00 35.05 ? 64  ARG B NE  1 
ATOM   496  C CZ  . ARG A 1 58  ? -23.771 -12.708 -37.733 1.00 33.96 ? 64  ARG B CZ  1 
ATOM   497  N NH1 . ARG A 1 58  ? -24.486 -11.881 -38.479 1.00 38.40 ? 64  ARG B NH1 1 
ATOM   498  N NH2 . ARG A 1 58  ? -23.746 -13.986 -38.037 1.00 35.62 ? 64  ARG B NH2 1 
ATOM   499  N N   . PHE A 1 59  ? -18.989 -15.472 -32.345 1.00 13.28 ? 65  PHE B N   1 
ATOM   500  C CA  . PHE A 1 59  ? -17.831 -16.129 -31.693 1.00 14.65 ? 65  PHE B CA  1 
ATOM   501  C C   . PHE A 1 59  ? -17.905 -17.616 -31.948 1.00 13.48 ? 65  PHE B C   1 
ATOM   502  O O   . PHE A 1 59  ? -18.907 -18.254 -31.703 1.00 13.37 ? 65  PHE B O   1 
ATOM   503  C CB  . PHE A 1 59  ? -17.856 -15.873 -30.170 1.00 16.46 ? 65  PHE B CB  1 
ATOM   504  C CG  . PHE A 1 59  ? -17.871 -14.409 -29.797 1.00 18.48 ? 65  PHE B CG  1 
ATOM   505  C CD1 . PHE A 1 59  ? -16.851 -13.595 -30.265 1.00 20.53 ? 65  PHE B CD1 1 
ATOM   506  C CD2 . PHE A 1 59  ? -18.857 -13.834 -29.026 1.00 25.16 ? 65  PHE B CD2 1 
ATOM   507  C CE1 . PHE A 1 59  ? -16.788 -12.244 -29.965 1.00 23.33 ? 65  PHE B CE1 1 
ATOM   508  C CE2 . PHE A 1 59  ? -18.778 -12.477 -28.697 1.00 20.66 ? 65  PHE B CE2 1 
ATOM   509  C CZ  . PHE A 1 59  ? -17.775 -11.691 -29.202 1.00 22.52 ? 65  PHE B CZ  1 
ATOM   510  N N   A SER A 1 60  ? -16.798 -18.196 -32.437 0.25 13.64 ? 66  SER B N   1 
ATOM   511  N N   B SER A 1 60  ? -16.790 -18.190 -32.415 0.25 14.00 ? 66  SER B N   1 
ATOM   512  C CA  A SER A 1 60  ? -16.694 -19.654 -32.715 0.25 13.54 ? 66  SER B CA  1 
ATOM   513  C CA  B SER A 1 60  ? -16.649 -19.646 -32.677 0.25 14.12 ? 66  SER B CA  1 
ATOM   514  C C   A SER A 1 60  ? -15.470 -20.283 -32.026 0.25 13.47 ? 66  SER B C   1 
ATOM   515  C C   B SER A 1 60  ? -15.359 -20.188 -32.070 0.25 14.00 ? 66  SER B C   1 
ATOM   516  O O   A SER A 1 60  ? -15.314 -21.520 -32.123 0.25 13.16 ? 66  SER B O   1 
ATOM   517  O O   B SER A 1 60  ? -14.943 -21.281 -32.457 0.25 12.94 ? 66  SER B O   1 
ATOM   518  C CB  A SER A 1 60  ? -16.735 -19.926 -34.210 0.25 13.85 ? 66  SER B CB  1 
ATOM   519  C CB  B SER A 1 60  ? -16.646 -19.920 -34.137 0.25 14.75 ? 66  SER B CB  1 
ATOM   520  O OG  A SER A 1 60  ? -18.061 -19.725 -34.730 0.25 13.77 ? 66  SER B OG  1 
ATOM   521  O OG  B SER A 1 60  ? -15.581 -19.206 -34.717 0.25 15.83 ? 66  SER B OG  1 
ATOM   522  N N   A SER A 1 61  ? -14.686 -19.485 -31.293 0.25 13.29 ? 67  SER B N   1 
ATOM   523  N N   B SER A 1 61  ? -14.720 -19.431 -31.192 0.25 14.30 ? 67  SER B N   1 
ATOM   524  C CA  A SER A 1 61  ? -13.471 -19.932 -30.558 0.25 14.32 ? 67  SER B CA  1 
ATOM   525  C CA  B SER A 1 61  ? -13.449 -19.853 -30.568 0.25 15.95 ? 67  SER B CA  1 
ATOM   526  C C   A SER A 1 61  ? -13.140 -18.935 -29.443 0.25 14.83 ? 67  SER B C   1 
ATOM   527  C C   B SER A 1 61  ? -13.062 -18.859 -29.483 0.25 15.71 ? 67  SER B C   1 
ATOM   528  O O   A SER A 1 61  ? -13.716 -17.853 -29.448 0.25 15.20 ? 67  SER B O   1 
ATOM   529  O O   B SER A 1 61  ? -13.493 -17.690 -29.578 0.25 16.14 ? 67  SER B O   1 
ATOM   530  C CB  A SER A 1 61  ? -12.284 -20.055 -31.505 0.25 14.72 ? 67  SER B CB  1 
ATOM   531  C CB  B SER A 1 61  ? -12.354 -19.944 -31.609 0.25 16.98 ? 67  SER B CB  1 
ATOM   532  O OG  A SER A 1 61  ? -11.836 -18.774 -31.921 0.25 15.50 ? 67  SER B OG  1 
ATOM   533  O OG  B SER A 1 61  ? -11.187 -20.499 -31.035 0.25 20.04 ? 67  SER B OG  1 
ATOM   534  N N   . GLY A 1 62  ? -12.230 -19.298 -28.540 1.00 16.33 ? 68  GLY B N   1 
ATOM   535  C CA  . GLY A 1 62  ? -11.617 -18.349 -27.606 1.00 16.94 ? 68  GLY B CA  1 
ATOM   536  C C   . GLY A 1 62  ? -12.457 -18.061 -26.378 1.00 14.15 ? 68  GLY B C   1 
ATOM   537  O O   . GLY A 1 62  ? -13.477 -18.714 -26.111 1.00 15.60 ? 68  GLY B O   1 
ATOM   538  N N   . LYS A 1 63  ? -11.952 -17.088 -25.669 1.00 14.12 ? 69  LYS B N   1 
ATOM   539  C CA  . LYS A 1 63  ? -12.538 -16.588 -24.416 1.00 15.03 ? 69  LYS B CA  1 
ATOM   540  C C   . LYS A 1 63  ? -12.983 -15.162 -24.678 1.00 14.55 ? 69  LYS B C   1 
ATOM   541  O O   . LYS A 1 63  ? -12.202 -14.360 -25.176 1.00 16.55 ? 69  LYS B O   1 
ATOM   542  C CB  . LYS A 1 63  ? -11.509 -16.706 -23.296 1.00 16.51 ? 69  LYS B CB  1 
ATOM   543  C CG  . LYS A 1 63  ? -11.090 -18.124 -22.951 1.00 16.99 ? 69  LYS B CG  1 
ATOM   544  C CD  . LYS A 1 63  ? -9.964  -18.196 -21.881 1.00 19.99 ? 69  LYS B CD  1 
ATOM   545  C CE  . LYS A 1 63  ? -9.610  -19.606 -21.451 1.00 22.33 ? 69  LYS B CE  1 
ATOM   546  N NZ  . LYS A 1 63  ? -8.530  -19.619 -20.431 1.00 25.88 ? 69  LYS B NZ  1 
ATOM   547  N N   . MET A 1 64  ? -14.189 -14.804 -24.244 1.00 13.47 ? 70  MET B N   1 
ATOM   548  C CA  . MET A 1 64  ? -14.815 -13.478 -24.449 1.00 13.65 ? 70  MET B CA  1 
ATOM   549  C C   . MET A 1 64  ? -15.484 -13.026 -23.157 1.00 12.78 ? 70  MET B C   1 
ATOM   550  O O   . MET A 1 64  ? -16.059 -13.860 -22.450 1.00 13.19 ? 70  MET B O   1 
ATOM   551  C CB  . MET A 1 64  ? -15.907 -13.539 -25.492 1.00 14.04 ? 70  MET B CB  1 
ATOM   552  C CG  . MET A 1 64  ? -15.470 -13.751 -26.925 1.00 15.29 ? 70  MET B CG  1 
ATOM   553  S SD  . MET A 1 64  ? -14.712 -15.323 -27.429 1.00 17.16 ? 70  MET B SD  1 
ATOM   554  C CE  . MET A 1 64  ? -15.940 -16.513 -26.951 1.00 17.50 ? 70  MET B CE  1 
ATOM   555  N N   . TYR A 1 65  ? -15.457 -11.746 -22.874 1.00 13.05 ? 71  TYR B N   1 
ATOM   556  C CA  . TYR A 1 65  ? -16.064 -11.168 -21.647 1.00 12.55 ? 71  TYR B CA  1 
ATOM   557  C C   . TYR A 1 65  ? -16.684 -9.837  -22.014 1.00 13.05 ? 71  TYR B C   1 
ATOM   558  O O   . TYR A 1 65  ? -16.015 -9.016  -22.697 1.00 13.65 ? 71  TYR B O   1 
ATOM   559  C CB  . TYR A 1 65  ? -15.005 -10.991 -20.554 1.00 14.07 ? 71  TYR B CB  1 
ATOM   560  C CG  . TYR A 1 65  ? -15.514 -10.397 -19.261 1.00 13.16 ? 71  TYR B CG  1 
ATOM   561  C CD1 . TYR A 1 65  ? -16.249 -11.166 -18.374 1.00 13.56 ? 71  TYR B CD1 1 
ATOM   562  C CD2 . TYR A 1 65  ? -15.333 -9.044  -18.962 1.00 13.98 ? 71  TYR B CD2 1 
ATOM   563  C CE1 . TYR A 1 65  ? -16.775 -10.631 -17.198 1.00 14.62 ? 71  TYR B CE1 1 
ATOM   564  C CE2 . TYR A 1 65  ? -15.856 -8.508  -17.800 1.00 13.55 ? 71  TYR B CE2 1 
ATOM   565  C CZ  . TYR A 1 65  ? -16.565 -9.291  -16.921 1.00 14.24 ? 71  TYR B CZ  1 
ATOM   566  O OH  . TYR A 1 65  ? -17.065 -8.722  -15.798 1.00 15.17 ? 71  TYR B OH  1 
ATOM   567  N N   . TRP A 1 66  ? -17.881 -9.553  -21.514 1.00 11.49 ? 72  TRP B N   1 
ATOM   568  C CA  . TRP A 1 66  ? -18.483 -8.200  -21.605 1.00 11.84 ? 72  TRP B CA  1 
ATOM   569  C C   . TRP A 1 66  ? -19.369 -7.956  -20.384 1.00 11.83 ? 72  TRP B C   1 
ATOM   570  O O   . TRP A 1 66  ? -19.702 -8.893  -19.650 1.00 12.27 ? 72  TRP B O   1 
ATOM   571  C CB  . TRP A 1 66  ? -19.222 -7.993  -22.945 1.00 11.39 ? 72  TRP B CB  1 
ATOM   572  C CG  . TRP A 1 66  ? -20.379 -8.900  -23.198 1.00 11.05 ? 72  TRP B CG  1 
ATOM   573  C CD1 . TRP A 1 66  ? -21.704 -8.617  -23.000 1.00 10.95 ? 72  TRP B CD1 1 
ATOM   574  C CD2 . TRP A 1 66  ? -20.368 -10.220 -23.753 1.00 11.84 ? 72  TRP B CD2 1 
ATOM   575  N NE1 . TRP A 1 66  ? -22.500 -9.666  -23.365 1.00 10.85 ? 72  TRP B NE1 1 
ATOM   576  C CE2 . TRP A 1 66  ? -21.701 -10.674 -23.840 1.00 11.85 ? 72  TRP B CE2 1 
ATOM   577  C CE3 . TRP A 1 66  ? -19.346 -11.079 -24.193 1.00 12.94 ? 72  TRP B CE3 1 
ATOM   578  C CZ2 . TRP A 1 66  ? -22.039 -11.919 -24.348 1.00 11.78 ? 72  TRP B CZ2 1 
ATOM   579  C CZ3 . TRP A 1 66  ? -19.669 -12.314 -24.709 1.00 14.98 ? 72  TRP B CZ3 1 
ATOM   580  C CH2 . TRP A 1 66  ? -20.994 -12.734 -24.763 1.00 14.18 ? 72  TRP B CH2 1 
ATOM   581  N N   . GLU A 1 67  ? -19.757 -6.698  -20.198 1.00 11.35 ? 73  GLU B N   1 
ATOM   582  C CA  . GLU A 1 67  ? -20.597 -6.265  -19.071 1.00 10.81 ? 73  GLU B CA  1 
ATOM   583  C C   . GLU A 1 67  ? -21.815 -5.486  -19.547 1.00 10.72 ? 73  GLU B C   1 
ATOM   584  O O   . GLU A 1 67  ? -21.714 -4.747  -20.511 1.00 11.35 ? 73  GLU B O   1 
ATOM   585  C CB  . GLU A 1 67  ? -19.805 -5.432  -18.071 1.00 12.50 ? 73  GLU B CB  1 
ATOM   586  C CG  . GLU A 1 67  ? -18.746 -6.259  -17.358 1.00 14.28 ? 73  GLU B CG  1 
ATOM   587  C CD  . GLU A 1 67  ? -17.876 -5.514  -16.369 1.00 16.25 ? 73  GLU B CD  1 
ATOM   588  O OE1 . GLU A 1 67  ? -18.040 -4.263  -16.258 1.00 20.77 ? 73  GLU B OE1 1 
ATOM   589  O OE2 . GLU A 1 67  ? -17.000 -6.181  -15.700 1.00 16.15 ? 73  GLU B OE2 1 
ATOM   590  N N   . VAL A 1 68  ? -22.912 -5.684  -18.838 1.00 10.56 ? 74  VAL B N   1 
ATOM   591  C CA  . VAL A 1 68  ? -24.190 -5.034  -19.160 1.00 10.28 ? 74  VAL B CA  1 
ATOM   592  C C   . VAL A 1 68  ? -24.745 -4.389  -17.909 1.00 10.26 ? 74  VAL B C   1 
ATOM   593  O O   . VAL A 1 68  ? -24.863 -5.005  -16.845 1.00 11.77 ? 74  VAL B O   1 
ATOM   594  C CB  . VAL A 1 68  ? -25.193 -6.048  -19.723 1.00 10.42 ? 74  VAL B CB  1 
ATOM   595  C CG1 . VAL A 1 68  ? -26.440 -5.320  -20.161 1.00 11.67 ? 74  VAL B CG1 1 
ATOM   596  C CG2 . VAL A 1 68  ? -24.587 -6.892  -20.824 1.00 11.77 ? 74  VAL B CG2 1 
ATOM   597  N N   . ASP A 1 69  ? -25.188 -3.137  -18.070 1.00 10.91 ? 75  ASP B N   1 
ATOM   598  C CA  . ASP A 1 69  ? -25.890 -2.350  -17.033 1.00 11.87 ? 75  ASP B CA  1 
ATOM   599  C C   . ASP A 1 69  ? -27.381 -2.641  -17.074 1.00 10.34 ? 75  ASP B C   1 
ATOM   600  O O   . ASP A 1 69  ? -27.996 -2.492  -18.180 1.00 11.26 ? 75  ASP B O   1 
ATOM   601  C CB  . ASP A 1 69  ? -25.606 -0.850  -17.200 1.00 13.58 ? 75  ASP B CB  1 
ATOM   602  C CG  . ASP A 1 69  ? -25.979 -0.048  -15.962 1.00 16.28 ? 75  ASP B CG  1 
ATOM   603  O OD1 . ASP A 1 69  ? -27.115 -0.034  -15.605 1.00 15.67 ? 75  ASP B OD1 1 
ATOM   604  O OD2 . ASP A 1 69  ? -25.066 0.381   -15.233 1.00 20.40 ? 75  ASP B OD2 1 
ATOM   605  N N   . VAL A 1 70  ? -27.949 -3.027  -15.934 1.00 10.43 ? 76  VAL B N   1 
ATOM   606  C CA  . VAL A 1 70  ? -29.390 -3.373  -15.782 1.00 11.14 ? 76  VAL B CA  1 
ATOM   607  C C   . VAL A 1 70  ? -30.084 -2.472  -14.744 1.00 11.09 ? 76  VAL B C   1 
ATOM   608  O O   . VAL A 1 70  ? -31.147 -2.831  -14.232 1.00 12.07 ? 76  VAL B O   1 
ATOM   609  C CB  . VAL A 1 70  ? -29.534 -4.877  -15.436 1.00 11.04 ? 76  VAL B CB  1 
ATOM   610  C CG1 . VAL A 1 70  ? -28.984 -5.796  -16.554 1.00 11.07 ? 76  VAL B CG1 1 
ATOM   611  C CG2 . VAL A 1 70  ? -28.911 -5.254  -14.113 1.00 11.33 ? 76  VAL B CG2 1 
ATOM   612  N N   . THR A 1 71  ? -29.460 -1.348  -14.403 1.00 11.85 ? 77  THR B N   1 
ATOM   613  C CA  . THR A 1 71  ? -29.958 -0.431  -13.346 1.00 13.00 ? 77  THR B CA  1 
ATOM   614  C C   . THR A 1 71  ? -31.449 -0.140  -13.516 1.00 13.26 ? 77  THR B C   1 
ATOM   615  O O   . THR A 1 71  ? -31.888 0.253   -14.606 1.00 13.40 ? 77  THR B O   1 
ATOM   616  C CB  . THR A 1 71  ? -29.174 0.878   -13.362 1.00 13.34 ? 77  THR B CB  1 
ATOM   617  O OG1 . THR A 1 71  ? -27.794 0.618   -13.100 1.00 16.34 ? 77  THR B OG1 1 
ATOM   618  C CG2 . THR A 1 71  ? -29.727 1.834   -12.322 1.00 15.54 ? 77  THR B CG2 1 
ATOM   619  N N   . GLN A 1 72  ? -32.194 -0.348  -12.431 0.50 14.18 ? 78  GLN B N   1 
ATOM   620  C CA  . GLN A 1 72  ? -33.636 -0.007  -12.260 0.50 14.56 ? 78  GLN B CA  1 
ATOM   621  C C   . GLN A 1 72  ? -34.539 -0.686  -13.283 0.50 14.43 ? 78  GLN B C   1 
ATOM   622  O O   . GLN A 1 72  ? -35.669 -0.193  -13.527 0.50 15.40 ? 78  GLN B O   1 
ATOM   623  C CB  . GLN A 1 72  ? -33.841 1.496   -12.312 0.50 15.96 ? 78  GLN B CB  1 
ATOM   624  C CG  . GLN A 1 72  ? -33.502 2.112   -10.972 0.50 16.17 ? 78  GLN B CG  1 
ATOM   625  C CD  . GLN A 1 72  ? -34.471 1.679   -9.897  0.50 16.21 ? 78  GLN B CD  1 
ATOM   626  O OE1 . GLN A 1 72  ? -35.644 2.034   -9.914  0.50 17.70 ? 78  GLN B OE1 1 
ATOM   627  N NE2 . GLN A 1 72  ? -33.987 0.908   -8.942  0.50 16.95 ? 78  GLN B NE2 1 
ATOM   628  N N   . LYS A 1 73  ? -34.105 -1.828  -13.802 1.00 13.32 ? 79  LYS B N   1 
ATOM   629  C CA  . LYS A 1 73  ? -35.014 -2.691  -14.545 1.00 11.68 ? 79  LYS B CA  1 
ATOM   630  C C   . LYS A 1 73  ? -35.719 -3.697  -13.642 1.00 11.04 ? 79  LYS B C   1 
ATOM   631  O O   . LYS A 1 73  ? -35.074 -4.232  -12.689 1.00 12.75 ? 79  LYS B O   1 
ATOM   632  C CB  . LYS A 1 73  ? -34.293 -3.367  -15.700 1.00 11.31 ? 79  LYS B CB  1 
ATOM   633  C CG  . LYS A 1 73  ? -33.844 -2.363  -16.792 1.00 11.28 ? 79  LYS B CG  1 
ATOM   634  C CD  . LYS A 1 73  ? -33.321 -2.985  -18.064 1.00 11.85 ? 79  LYS B CD  1 
ATOM   635  C CE  . LYS A 1 73  ? -34.399 -3.730  -18.822 1.00 11.09 ? 79  LYS B CE  1 
ATOM   636  N NZ  . LYS A 1 73  ? -35.608 -2.900  -19.137 1.00 10.06 ? 79  LYS B NZ  1 
ATOM   637  N N   . GLU A 1 74  ? -36.950 -4.021  -13.959 1.00 10.32 ? 80  GLU B N   1 
ATOM   638  C CA  . GLU A 1 74  ? -37.751 -5.028  -13.264 1.00 9.96  ? 80  GLU B CA  1 
ATOM   639  C C   . GLU A 1 74  ? -37.678 -6.384  -13.957 1.00 10.22 ? 80  GLU B C   1 
ATOM   640  O O   . GLU A 1 74  ? -38.069 -7.384  -13.369 1.00 11.17 ? 80  GLU B O   1 
ATOM   641  C CB  . GLU A 1 74  ? -39.228 -4.601  -13.226 1.00 11.12 ? 80  GLU B CB  1 
ATOM   642  C CG  . GLU A 1 74  ? -39.537 -3.367  -12.413 1.00 13.09 ? 80  GLU B CG  1 
ATOM   643  C CD  . GLU A 1 74  ? -40.997 -2.912  -12.529 1.00 13.08 ? 80  GLU B CD  1 
ATOM   644  O OE1 . GLU A 1 74  ? -41.381 -2.064  -11.703 1.00 16.00 ? 80  GLU B OE1 1 
ATOM   645  O OE2 . GLU A 1 74  ? -41.707 -3.410  -13.391 1.00 14.30 ? 80  GLU B OE2 1 
ATOM   646  N N   . ALA A 1 75  ? -37.335 -6.436  -15.248 1.00 9.43  ? 81  ALA B N   1 
ATOM   647  C CA  . ALA A 1 75  ? -37.328 -7.690  -16.007 1.00 9.61  ? 81  ALA B CA  1 
ATOM   648  C C   . ALA A 1 75  ? -36.342 -7.527  -17.154 1.00 10.21 ? 81  ALA B C   1 
ATOM   649  O O   . ALA A 1 75  ? -36.292 -6.465  -17.831 1.00 10.29 ? 81  ALA B O   1 
ATOM   650  C CB  . ALA A 1 75  ? -38.707 -7.974  -16.534 1.00 10.95 ? 81  ALA B CB  1 
ATOM   651  N N   . TRP A 1 76  ? -35.601 -8.610  -17.436 1.00 9.35  ? 82  TRP B N   1 
ATOM   652  C CA  . TRP A 1 76  ? -34.625 -8.682  -18.555 1.00 9.08  ? 82  TRP B CA  1 
ATOM   653  C C   . TRP A 1 76  ? -34.121 -10.107 -18.639 1.00 9.55  ? 82  TRP B C   1 
ATOM   654  O O   . TRP A 1 76  ? -34.229 -10.887 -17.659 1.00 10.01 ? 82  TRP B O   1 
ATOM   655  C CB  . TRP A 1 76  ? -33.461 -7.713  -18.345 1.00 10.12 ? 82  TRP B CB  1 
ATOM   656  C CG  . TRP A 1 76  ? -32.801 -7.739  -17.008 1.00 10.12 ? 82  TRP B CG  1 
ATOM   657  C CD1 . TRP A 1 76  ? -33.010 -6.899  -15.964 1.00 10.55 ? 82  TRP B CD1 1 
ATOM   658  C CD2 . TRP A 1 76  ? -31.824 -8.686  -16.481 1.00 10.22 ? 82  TRP B CD2 1 
ATOM   659  N NE1 . TRP A 1 76  ? -32.249 -7.199  -14.892 1.00 10.31 ? 82  TRP B NE1 1 
ATOM   660  C CE2 . TRP A 1 76  ? -31.518 -8.338  -15.162 1.00 10.39 ? 82  TRP B CE2 1 
ATOM   661  C CE3 . TRP A 1 76  ? -31.184 -9.849  -16.998 1.00 11.04 ? 82  TRP B CE3 1 
ATOM   662  C CZ2 . TRP A 1 76  ? -30.591 -8.995  -14.364 1.00 10.93 ? 82  TRP B CZ2 1 
ATOM   663  C CZ3 . TRP A 1 76  ? -30.298 -10.556 -16.195 1.00 11.63 ? 82  TRP B CZ3 1 
ATOM   664  C CH2 . TRP A 1 76  ? -30.000 -10.112 -14.895 1.00 11.91 ? 82  TRP B CH2 1 
ATOM   665  N N   . ASP A 1 77  ? -33.586 -10.436 -19.806 1.00 9.23  ? 83  ASP B N   1 
ATOM   666  C CA  . ASP A 1 77  ? -32.809 -11.691 -20.008 1.00 9.32  ? 83  ASP B CA  1 
ATOM   667  C C   . ASP A 1 77  ? -31.454 -11.295 -20.590 1.00 9.05  ? 83  ASP B C   1 
ATOM   668  O O   . ASP A 1 77  ? -31.406 -10.409 -21.461 1.00 9.67  ? 83  ASP B O   1 
ATOM   669  C CB  . ASP A 1 77  ? -33.480 -12.670 -20.972 1.00 10.98 ? 83  ASP B CB  1 
ATOM   670  C CG  . ASP A 1 77  ? -34.978 -12.897 -20.875 1.00 12.38 ? 83  ASP B CG  1 
ATOM   671  O OD1 . ASP A 1 77  ? -35.430 -12.925 -19.753 1.00 15.38 ? 83  ASP B OD1 1 
ATOM   672  O OD2 . ASP A 1 77  ? -35.647 -13.098 -21.935 1.00 14.53 ? 83  ASP B OD2 1 
ATOM   673  N N   . LEU A 1 78  ? -30.389 -12.007 -20.223 1.00 8.38  ? 84  LEU B N   1 
ATOM   674  C CA  . LEU A 1 78  ? -29.032 -11.768 -20.762 1.00 8.75  ? 84  LEU B CA  1 
ATOM   675  C C   . LEU A 1 78  ? -28.316 -13.098 -20.942 1.00 8.51  ? 84  LEU B C   1 
ATOM   676  O O   . LEU A 1 78  ? -28.449 -13.995 -20.118 1.00 9.04  ? 84  LEU B O   1 
ATOM   677  C CB  . LEU A 1 78  ? -28.199 -10.918 -19.803 1.00 9.35  ? 84  LEU B CB  1 
ATOM   678  C CG  . LEU A 1 78  ? -28.559 -9.450  -19.678 1.00 10.67 ? 84  LEU B CG  1 
ATOM   679  C CD1 . LEU A 1 78  ? -27.746 -8.813  -18.557 1.00 11.63 ? 84  LEU B CD1 1 
ATOM   680  C CD2 . LEU A 1 78  ? -28.365 -8.726  -20.984 1.00 10.97 ? 84  LEU B CD2 1 
ATOM   681  N N   . GLY A 1 79  ? -27.479 -13.146 -21.975 1.00 8.10  ? 85  GLY B N   1 
ATOM   682  C CA  . GLY A 1 79  ? -26.501 -14.242 -22.109 1.00 8.69  ? 85  GLY B CA  1 
ATOM   683  C C   . GLY A 1 79  ? -25.988 -14.304 -23.535 1.00 8.05  ? 85  GLY B C   1 
ATOM   684  O O   . GLY A 1 79  ? -25.594 -13.294 -24.121 1.00 8.59  ? 85  GLY B O   1 
ATOM   685  N N   A VAL A 1 80  ? -25.923 -15.541 -24.034 0.25 8.25  ? 86  VAL B N   1 
ATOM   686  N N   B VAL A 1 80  ? -25.963 -15.511 -24.071 0.25 8.66  ? 86  VAL B N   1 
ATOM   687  C CA  A VAL A 1 80  ? -25.544 -15.850 -25.440 0.25 8.30  ? 86  VAL B CA  1 
ATOM   688  C CA  B VAL A 1 80  ? -25.387 -15.768 -25.414 0.25 8.95  ? 86  VAL B CA  1 
ATOM   689  C C   A VAL A 1 80  ? -26.529 -16.828 -26.044 0.25 8.64  ? 86  VAL B C   1 
ATOM   690  C C   B VAL A 1 80  ? -26.292 -16.847 -26.034 0.25 9.12  ? 86  VAL B C   1 
ATOM   691  O O   A VAL A 1 80  ? -27.263 -17.569 -25.355 0.25 8.91  ? 86  VAL B O   1 
ATOM   692  O O   B VAL A 1 80  ? -26.862 -17.620 -25.292 0.25 9.56  ? 86  VAL B O   1 
ATOM   693  C CB  A VAL A 1 80  ? -24.133 -16.450 -25.592 0.25 8.46  ? 86  VAL B CB  1 
ATOM   694  C CB  B VAL A 1 80  ? -23.893 -16.147 -25.256 0.25 9.64  ? 86  VAL B CB  1 
ATOM   695  C CG1 A VAL A 1 80  ? -23.109 -15.405 -25.231 0.25 8.23  ? 86  VAL B CG1 1 
ATOM   696  C CG1 B VAL A 1 80  ? -23.717 -17.500 -24.589 0.25 9.63  ? 86  VAL B CG1 1 
ATOM   697  C CG2 A VAL A 1 80  ? -23.938 -17.731 -24.798 0.25 8.40  ? 86  VAL B CG2 1 
ATOM   698  C CG2 B VAL A 1 80  ? -23.129 -16.064 -26.558 0.25 10.43 ? 86  VAL B CG2 1 
ATOM   699  N N   . CYS A 1 81  ? -26.468 -16.864 -27.367 1.00 9.15  ? 87  CYS B N   1 
ATOM   700  C CA  . CYS A 1 81  ? -27.288 -17.845 -28.061 1.00 10.08 ? 87  CYS B CA  1 
ATOM   701  C C   . CYS A 1 81  ? -26.625 -18.248 -29.374 1.00 9.85  ? 87  CYS B C   1 
ATOM   702  O O   . CYS A 1 81  ? -25.750 -17.554 -29.898 1.00 9.98  ? 87  CYS B O   1 
ATOM   703  C CB  . CYS A 1 81  ? -28.698 -17.315 -28.331 1.00 11.25 ? 87  CYS B CB  1 
ATOM   704  S SG  . CYS A 1 81  ? -28.797 -15.910 -29.470 1.00 11.14 ? 87  CYS B SG  1 
ATOM   705  N N   A ARG A 1 82  ? -27.076 -19.367 -29.897 0.25 9.81  ? 88  ARG B N   1 
ATOM   706  N N   B ARG A 1 82  ? -27.029 -19.414 -29.876 0.25 9.66  ? 88  ARG B N   1 
ATOM   707  C CA  A ARG A 1 82  ? -26.642 -19.762 -31.252 0.25 10.27 ? 88  ARG B CA  1 
ATOM   708  C CA  B ARG A 1 82  ? -26.606 -19.908 -31.221 0.25 10.14 ? 88  ARG B CA  1 
ATOM   709  C C   A ARG A 1 82  ? -27.065 -18.718 -32.280 0.25 9.90  ? 88  ARG B C   1 
ATOM   710  C C   B ARG A 1 82  ? -27.119 -18.935 -32.303 0.25 10.03 ? 88  ARG B C   1 
ATOM   711  O O   A ARG A 1 82  ? -28.099 -18.065 -32.188 0.25 8.84  ? 88  ARG B O   1 
ATOM   712  O O   B ARG A 1 82  ? -28.321 -18.520 -32.199 0.25 9.92  ? 88  ARG B O   1 
ATOM   713  C CB  A ARG A 1 82  ? -27.275 -21.090 -31.640 0.25 11.03 ? 88  ARG B CB  1 
ATOM   714  C CB  B ARG A 1 82  ? -27.159 -21.323 -31.461 0.25 10.74 ? 88  ARG B CB  1 
ATOM   715  C CG  A ARG A 1 82  ? -26.826 -22.198 -30.714 0.25 11.82 ? 88  ARG B CG  1 
ATOM   716  C CG  B ARG A 1 82  ? -26.460 -22.077 -32.587 0.25 10.87 ? 88  ARG B CG  1 
ATOM   717  C CD  A ARG A 1 82  ? -27.352 -23.519 -31.202 0.25 12.96 ? 88  ARG B CD  1 
ATOM   718  C CD  B ARG A 1 82  ? -27.044 -23.452 -32.851 0.25 11.75 ? 88  ARG B CD  1 
ATOM   719  N NE  A ARG A 1 82  ? -27.037 -24.589 -30.267 0.25 12.72 ? 88  ARG B NE  1 
ATOM   720  N NE  B ARG A 1 82  ? -26.866 -24.273 -31.675 0.25 11.76 ? 88  ARG B NE  1 
ATOM   721  C CZ  A ARG A 1 82  ? -27.880 -25.546 -29.942 0.25 13.15 ? 88  ARG B CZ  1 
ATOM   722  C CZ  B ARG A 1 82  ? -27.856 -24.842 -30.993 0.25 11.69 ? 88  ARG B CZ  1 
ATOM   723  N NH1 A ARG A 1 82  ? -29.085 -25.572 -30.475 0.25 13.60 ? 88  ARG B NH1 1 
ATOM   724  N NH1 B ARG A 1 82  ? -29.088 -24.805 -31.452 0.25 12.61 ? 88  ARG B NH1 1 
ATOM   725  N NH2 A ARG A 1 82  ? -27.505 -26.469 -29.080 0.25 14.26 ? 88  ARG B NH2 1 
ATOM   726  N NH2 B ARG A 1 82  ? -27.589 -25.504 -29.881 0.25 11.56 ? 88  ARG B NH2 1 
ATOM   727  N N   . ASP A 1 83  ? -26.291 -18.618 -33.332 1.00 11.07 ? 89  ASP B N   1 
ATOM   728  C CA  . ASP A 1 83  ? -26.686 -17.728 -34.449 1.00 12.41 ? 89  ASP B CA  1 
ATOM   729  C C   . ASP A 1 83  ? -27.989 -18.247 -35.060 1.00 13.19 ? 89  ASP B C   1 
ATOM   730  O O   . ASP A 1 83  ? -28.731 -17.402 -35.644 1.00 16.50 ? 89  ASP B O   1 
ATOM   731  C CB  . ASP A 1 83  ? -25.553 -17.666 -35.471 1.00 14.17 ? 89  ASP B CB  1 
ATOM   732  C CG  . ASP A 1 83  ? -25.179 -18.947 -36.166 1.00 16.71 ? 89  ASP B CG  1 
ATOM   733  O OD1 . ASP A 1 83  ? -25.665 -20.026 -35.793 1.00 19.65 ? 89  ASP B OD1 1 
ATOM   734  O OD2 . ASP A 1 83  ? -24.400 -18.811 -37.161 1.00 20.78 ? 89  ASP B OD2 1 
ATOM   735  N N   . SER A 1 84  ? -28.313 -19.513 -34.998 1.00 11.87 ? 90  SER B N   1 
ATOM   736  C CA  . SER A 1 84  ? -29.455 -20.120 -35.711 1.00 14.32 ? 90  SER B CA  1 
ATOM   737  C C   . SER A 1 84  ? -30.721 -20.259 -34.848 1.00 13.07 ? 90  SER B C   1 
ATOM   738  O O   . SER A 1 84  ? -31.633 -20.977 -35.218 1.00 14.21 ? 90  SER B O   1 
ATOM   739  C CB  . SER A 1 84  ? -29.018 -21.450 -36.293 1.00 16.43 ? 90  SER B CB  1 
ATOM   740  O OG  . SER A 1 84  ? -28.597 -22.290 -35.326 1.00 17.61 ? 90  SER B OG  1 
ATOM   741  N N   . VAL A 1 85  ? -30.777 -19.616 -33.671 1.00 12.09 ? 91  VAL B N   1 
ATOM   742  C CA  . VAL A 1 85  ? -32.012 -19.704 -32.858 1.00 11.95 ? 91  VAL B CA  1 
ATOM   743  C C   . VAL A 1 85  ? -33.234 -19.201 -33.653 1.00 12.06 ? 91  VAL B C   1 
ATOM   744  O O   . VAL A 1 85  ? -33.132 -18.273 -34.461 1.00 12.46 ? 91  VAL B O   1 
ATOM   745  C CB  . VAL A 1 85  ? -31.906 -18.947 -31.520 1.00 11.49 ? 91  VAL B CB  1 
ATOM   746  C CG1 . VAL A 1 85  ? -30.869 -19.592 -30.601 1.00 11.46 ? 91  VAL B CG1 1 
ATOM   747  C CG2 . VAL A 1 85  ? -31.676 -17.474 -31.682 1.00 11.34 ? 91  VAL B CG2 1 
ATOM   748  N N   . GLN A 1 86  ? -34.346 -19.824 -33.331 1.00 12.80 ? 92  GLN B N   1 
ATOM   749  C CA  . GLN A 1 86  ? -35.694 -19.383 -33.775 1.00 14.19 ? 92  GLN B CA  1 
ATOM   750  C C   . GLN A 1 86  ? -35.905 -17.889 -33.464 1.00 13.52 ? 92  GLN B C   1 
ATOM   751  O O   . GLN A 1 86  ? -35.603 -17.427 -32.366 1.00 14.29 ? 92  GLN B O   1 
ATOM   752  C CB  . GLN A 1 86  ? -36.706 -20.232 -33.008 1.00 16.23 ? 92  GLN B CB  1 
ATOM   753  C CG  . GLN A 1 86  ? -38.187 -19.960 -33.307 1.00 19.19 ? 92  GLN B CG  1 
ATOM   754  C CD  . GLN A 1 86  ? -39.097 -20.824 -32.442 1.00 21.70 ? 92  GLN B CD  1 
ATOM   755  O OE1 . GLN A 1 86  ? -38.688 -21.816 -31.794 1.00 22.56 ? 92  GLN B OE1 1 
ATOM   756  N NE2 . GLN A 1 86  ? -40.380 -20.461 -32.373 1.00 23.37 ? 92  GLN B NE2 1 
ATOM   757  N N   . ARG A 1 87  ? -36.499 -17.177 -34.422 1.00 12.64 ? 93  ARG B N   1 
ATOM   758  C CA  . ARG A 1 87  ? -36.788 -15.721 -34.307 1.00 12.42 ? 93  ARG B CA  1 
ATOM   759  C C   . ARG A 1 87  ? -38.294 -15.498 -34.164 1.00 12.98 ? 93  ARG B C   1 
ATOM   760  O O   . ARG A 1 87  ? -38.686 -14.488 -33.545 1.00 13.57 ? 93  ARG B O   1 
ATOM   761  C CB  . ARG A 1 87  ? -36.267 -14.904 -35.465 1.00 13.43 ? 93  ARG B CB  1 
ATOM   762  C CG  . ARG A 1 87  ? -34.798 -15.138 -35.771 1.00 13.13 ? 93  ARG B CG  1 
ATOM   763  C CD  . ARG A 1 87  ? -33.862 -14.890 -34.561 1.00 13.07 ? 93  ARG B CD  1 
ATOM   764  N NE  . ARG A 1 87  ? -32.493 -15.348 -34.886 1.00 13.96 ? 93  ARG B NE  1 
ATOM   765  C CZ  . ARG A 1 87  ? -31.599 -14.626 -35.520 1.00 12.82 ? 93  ARG B CZ  1 
ATOM   766  N NH1 . ARG A 1 87  ? -31.859 -13.398 -35.906 1.00 15.18 ? 93  ARG B NH1 1 
ATOM   767  N NH2 . ARG A 1 87  ? -30.421 -15.135 -35.829 1.00 16.14 ? 93  ARG B NH2 1 
ATOM   768  N N   . LYS A 1 88  ? -39.158 -16.345 -34.742 1.00 13.13 ? 94  LYS B N   1 
ATOM   769  C CA  . LYS A 1 88  ? -40.619 -16.068 -34.882 1.00 13.35 ? 94  LYS B CA  1 
ATOM   770  C C   . LYS A 1 88  ? -41.405 -16.972 -33.979 1.00 14.64 ? 94  LYS B C   1 
ATOM   771  O O   . LYS A 1 88  ? -41.032 -18.171 -33.873 1.00 17.36 ? 94  LYS B O   1 
ATOM   772  C CB  . LYS A 1 88  ? -41.031 -16.271 -36.343 1.00 14.43 ? 94  LYS B CB  1 
ATOM   773  C CG  . LYS A 1 88  ? -40.227 -15.491 -37.351 1.00 15.40 ? 94  LYS B CG  1 
ATOM   774  C CD  . LYS A 1 88  ? -40.215 -13.961 -37.109 1.00 15.70 ? 94  LYS B CD  1 
ATOM   775  C CE  . LYS A 1 88  ? -39.434 -13.268 -38.183 1.00 16.35 ? 94  LYS B CE  1 
ATOM   776  N NZ  . LYS A 1 88  ? -39.334 -11.787 -38.040 1.00 16.98 ? 94  LYS B NZ  1 
ATOM   777  N N   . GLY A 1 89  ? -42.472 -16.490 -33.366 1.00 15.07 ? 95  GLY B N   1 
ATOM   778  C CA  . GLY A 1 89  ? -43.316 -17.334 -32.534 1.00 15.70 ? 95  GLY B CA  1 
ATOM   779  C C   . GLY A 1 89  ? -42.828 -17.472 -31.114 1.00 17.09 ? 95  GLY B C   1 
ATOM   780  O O   . GLY A 1 89  ? -41.818 -16.770 -30.701 1.00 17.51 ? 95  GLY B O   1 
ATOM   781  N N   . GLN A 1 90  ? -43.450 -18.379 -30.408 1.00 17.03 ? 96  GLN B N   1 
ATOM   782  C CA  . GLN A 1 90  ? -43.194 -18.606 -28.988 1.00 19.55 ? 96  GLN B CA  1 
ATOM   783  C C   . GLN A 1 90  ? -42.094 -19.641 -28.825 1.00 19.04 ? 96  GLN B C   1 
ATOM   784  O O   . GLN A 1 90  ? -42.004 -20.596 -29.622 1.00 20.50 ? 96  GLN B O   1 
ATOM   785  C CB  . GLN A 1 90  ? -44.452 -19.116 -28.283 1.00 22.91 ? 96  GLN B CB  1 
ATOM   786  C CG  . GLN A 1 90  ? -45.605 -18.141 -28.299 1.00 28.18 ? 96  GLN B CG  1 
ATOM   787  C CD  . GLN A 1 90  ? -46.902 -18.872 -28.061 1.00 37.94 ? 96  GLN B CD  1 
ATOM   788  O OE1 . GLN A 1 90  ? -47.132 -19.442 -26.990 1.00 43.80 ? 96  GLN B OE1 1 
ATOM   789  N NE2 . GLN A 1 90  ? -47.744 -18.898 -29.084 1.00 39.47 ? 96  GLN B NE2 1 
ATOM   790  N N   . PHE A 1 91  ? -41.238 -19.437 -27.838 1.00 16.43 ? 97  PHE B N   1 
ATOM   791  C CA  . PHE A 1 91  ? -40.211 -20.430 -27.478 1.00 16.31 ? 97  PHE B CA  1 
ATOM   792  C C   . PHE A 1 91  ? -39.719 -20.156 -26.073 1.00 15.77 ? 97  PHE B C   1 
ATOM   793  O O   . PHE A 1 91  ? -39.849 -19.053 -25.555 1.00 16.80 ? 97  PHE B O   1 
ATOM   794  C CB  . PHE A 1 91  ? -39.018 -20.392 -28.444 1.00 15.66 ? 97  PHE B CB  1 
ATOM   795  C CG  . PHE A 1 91  ? -38.397 -19.019 -28.593 1.00 14.97 ? 97  PHE B CG  1 
ATOM   796  C CD1 . PHE A 1 91  ? -37.390 -18.591 -27.728 1.00 15.45 ? 97  PHE B CD1 1 
ATOM   797  C CD2 . PHE A 1 91  ? -38.767 -18.162 -29.616 1.00 14.77 ? 97  PHE B CD2 1 
ATOM   798  C CE1 . PHE A 1 91  ? -36.799 -17.340 -27.863 1.00 14.74 ? 97  PHE B CE1 1 
ATOM   799  C CE2 . PHE A 1 91  ? -38.185 -16.906 -29.760 1.00 14.66 ? 97  PHE B CE2 1 
ATOM   800  C CZ  . PHE A 1 91  ? -37.188 -16.508 -28.891 1.00 15.07 ? 97  PHE B CZ  1 
ATOM   801  N N   A SER A 1 92  ? -39.157 -21.171 -25.426 0.25 15.79 ? 98  SER B N   1 
ATOM   802  N N   B SER A 1 92  ? -39.146 -21.196 -25.474 0.25 15.24 ? 98  SER B N   1 
ATOM   803  C CA  A SER A 1 92  ? -38.530 -21.014 -24.092 0.25 15.89 ? 98  SER B CA  1 
ATOM   804  C CA  B SER A 1 92  ? -38.487 -21.152 -24.147 0.25 15.13 ? 98  SER B CA  1 
ATOM   805  C C   A SER A 1 92  ? -37.014 -20.873 -24.247 0.25 14.23 ? 98  SER B C   1 
ATOM   806  C C   B SER A 1 92  ? -37.004 -20.804 -24.328 0.25 13.71 ? 98  SER B C   1 
ATOM   807  O O   A SER A 1 92  ? -36.406 -21.503 -25.128 0.25 13.59 ? 98  SER B O   1 
ATOM   808  O O   B SER A 1 92  ? -36.413 -21.156 -25.393 0.25 13.00 ? 98  SER B O   1 
ATOM   809  C CB  A SER A 1 92  ? -38.841 -22.149 -23.172 0.25 18.31 ? 98  SER B CB  1 
ATOM   810  C CB  B SER A 1 92  ? -38.658 -22.464 -23.411 0.25 16.43 ? 98  SER B CB  1 
ATOM   811  O OG  A SER A 1 92  ? -38.396 -23.357 -23.753 0.25 21.30 ? 98  SER B OG  1 
ATOM   812  O OG  B SER A 1 92  ? -40.023 -22.662 -23.047 0.25 18.83 ? 98  SER B OG  1 
ATOM   813  N N   . LEU A 1 93  ? -36.430 -20.104 -23.344 1.00 13.44 ? 99  LEU B N   1 
ATOM   814  C CA  . LEU A 1 93  ? -34.979 -19.930 -23.263 1.00 13.52 ? 99  LEU B CA  1 
ATOM   815  C C   . LEU A 1 93  ? -34.385 -21.122 -22.562 1.00 13.60 ? 99  LEU B C   1 
ATOM   816  O O   . LEU A 1 93  ? -34.460 -21.264 -21.341 1.00 15.63 ? 99  LEU B O   1 
ATOM   817  C CB  . LEU A 1 93  ? -34.618 -18.655 -22.514 1.00 14.15 ? 99  LEU B CB  1 
ATOM   818  C CG  . LEU A 1 93  ? -35.104 -17.361 -23.146 1.00 14.73 ? 99  LEU B CG  1 
ATOM   819  C CD1 . LEU A 1 93  ? -34.753 -16.142 -22.289 1.00 15.65 ? 99  LEU B CD1 1 
ATOM   820  C CD2 . LEU A 1 93  ? -34.565 -17.167 -24.548 1.00 16.37 ? 99  LEU B CD2 1 
ATOM   821  N N   . SER A 1 94  ? -33.692 -21.993 -23.302 1.00 12.80 ? 100 SER B N   1 
ATOM   822  C CA  . SER A 1 94  ? -33.106 -23.230 -22.780 1.00 13.21 ? 100 SER B CA  1 
ATOM   823  C C   . SER A 1 94  ? -31.891 -23.561 -23.619 1.00 11.45 ? 100 SER B C   1 
ATOM   824  O O   . SER A 1 94  ? -31.888 -23.241 -24.819 1.00 11.62 ? 100 SER B O   1 
ATOM   825  C CB  . SER A 1 94  ? -34.084 -24.415 -22.806 1.00 15.05 ? 100 SER B CB  1 
ATOM   826  O OG  . SER A 1 94  ? -34.437 -24.715 -24.132 1.00 18.11 ? 100 SER B OG  1 
ATOM   827  N N   . PRO A 1 95  ? -30.957 -24.342 -23.106 1.00 11.44 ? 101 PRO B N   1 
ATOM   828  C CA  . PRO A 1 95  ? -29.871 -24.842 -23.941 1.00 13.07 ? 101 PRO B CA  1 
ATOM   829  C C   . PRO A 1 95  ? -30.378 -25.723 -25.084 1.00 12.68 ? 101 PRO B C   1 
ATOM   830  O O   . PRO A 1 95  ? -29.805 -25.625 -26.190 1.00 12.93 ? 101 PRO B O   1 
ATOM   831  C CB  . PRO A 1 95  ? -28.964 -25.615 -22.960 1.00 13.49 ? 101 PRO B CB  1 
ATOM   832  C CG  . PRO A 1 95  ? -29.229 -24.912 -21.631 1.00 14.34 ? 101 PRO B CG  1 
ATOM   833  C CD  . PRO A 1 95  ? -30.706 -24.604 -21.687 1.00 13.35 ? 101 PRO B CD  1 
ATOM   834  N N   . GLU A 1 96  ? -31.445 -26.476 -24.882 1.00 13.43 ? 102 GLU B N   1 
ATOM   835  C CA  . GLU A 1 96  ? -31.998 -27.302 -25.983 1.00 16.38 ? 102 GLU B CA  1 
ATOM   836  C C   . GLU A 1 96  ? -32.408 -26.419 -27.160 1.00 15.29 ? 102 GLU B C   1 
ATOM   837  O O   . GLU A 1 96  ? -32.379 -26.876 -28.323 1.00 16.64 ? 102 GLU B O   1 
ATOM   838  C CB  . GLU A 1 96  ? -33.148 -28.148 -25.453 1.00 20.74 ? 102 GLU B CB  1 
ATOM   839  C CG  . GLU A 1 96  ? -32.781 -28.944 -24.220 1.00 29.68 ? 102 GLU B CG  1 
ATOM   840  C CD  . GLU A 1 96  ? -33.198 -28.302 -22.903 1.00 35.04 ? 102 GLU B CD  1 
ATOM   841  O OE1 . GLU A 1 96  ? -32.362 -27.580 -22.265 1.00 22.74 ? 102 GLU B OE1 1 
ATOM   842  O OE2 . GLU A 1 96  ? -34.372 -28.563 -22.498 1.00 46.74 ? 102 GLU B OE2 1 
ATOM   843  N N   . ASN A 1 97  ? -32.887 -25.198 -26.920 1.00 12.92 ? 103 ASN B N   1 
ATOM   844  C CA  . ASN A 1 97  ? -33.289 -24.257 -27.975 1.00 13.27 ? 103 ASN B CA  1 
ATOM   845  C C   . ASN A 1 97  ? -32.145 -23.336 -28.375 1.00 11.69 ? 103 ASN B C   1 
ATOM   846  O O   . ASN A 1 97  ? -32.350 -22.483 -29.244 1.00 12.77 ? 103 ASN B O   1 
ATOM   847  C CB  . ASN A 1 97  ? -34.517 -23.436 -27.543 1.00 13.94 ? 103 ASN B CB  1 
ATOM   848  C CG  . ASN A 1 97  ? -35.795 -24.225 -27.500 1.00 16.90 ? 103 ASN B CG  1 
ATOM   849  O OD1 . ASN A 1 97  ? -35.897 -25.311 -28.105 1.00 19.85 ? 103 ASN B OD1 1 
ATOM   850  N ND2 . ASN A 1 97  ? -36.756 -23.740 -26.724 1.00 17.95 ? 103 ASN B ND2 1 
ATOM   851  N N   . GLY A 1 98  ? -30.927 -23.518 -27.863 1.00 10.55 ? 104 GLY B N   1 
ATOM   852  C CA  . GLY A 1 98  ? -29.766 -22.726 -28.287 1.00 10.84 ? 104 GLY B CA  1 
ATOM   853  C C   . GLY A 1 98  ? -29.511 -21.438 -27.508 1.00 9.06  ? 104 GLY B C   1 
ATOM   854  O O   . GLY A 1 98  ? -28.861 -20.554 -28.006 1.00 10.08 ? 104 GLY B O   1 
ATOM   855  N N   . PHE A 1 99  ? -29.972 -21.402 -26.230 1.00 9.59  ? 105 PHE B N   1 
ATOM   856  C CA  . PHE A 1 99  ? -29.783 -20.212 -25.347 1.00 9.27  ? 105 PHE B CA  1 
ATOM   857  C C   . PHE A 1 99  ? -29.085 -20.568 -24.041 1.00 8.83  ? 105 PHE B C   1 
ATOM   858  O O   . PHE A 1 99  ? -29.504 -21.560 -23.419 1.00 10.44 ? 105 PHE B O   1 
ATOM   859  C CB  . PHE A 1 99  ? -31.134 -19.565 -25.005 1.00 10.01 ? 105 PHE B CB  1 
ATOM   860  C CG  . PHE A 1 99  ? -31.924 -19.053 -26.192 1.00 10.07 ? 105 PHE B CG  1 
ATOM   861  C CD1 . PHE A 1 99  ? -32.828 -19.868 -26.851 1.00 10.79 ? 105 PHE B CD1 1 
ATOM   862  C CD2 . PHE A 1 99  ? -31.766 -17.762 -26.643 1.00 10.37 ? 105 PHE B CD2 1 
ATOM   863  C CE1 . PHE A 1 99  ? -33.557 -19.391 -27.943 1.00 11.26 ? 105 PHE B CE1 1 
ATOM   864  C CE2 . PHE A 1 99  ? -32.517 -17.295 -27.704 1.00 11.26 ? 105 PHE B CE2 1 
ATOM   865  C CZ  . PHE A 1 99  ? -33.407 -18.103 -28.343 1.00 11.11 ? 105 PHE B CZ  1 
ATOM   866  N N   . TRP A 1 100 ? -28.134 -19.748 -23.627 1.00 8.41  ? 106 TRP B N   1 
ATOM   867  C CA  . TRP A 1 100 ? -27.453 -19.846 -22.312 1.00 8.75  ? 106 TRP B CA  1 
ATOM   868  C C   . TRP A 1 100 ? -27.602 -18.483 -21.641 1.00 7.96  ? 106 TRP B C   1 
ATOM   869  O O   . TRP A 1 100 ? -26.870 -17.553 -21.961 1.00 8.83  ? 106 TRP B O   1 
ATOM   870  C CB  . TRP A 1 100 ? -25.988 -20.284 -22.480 1.00 9.08  ? 106 TRP B CB  1 
ATOM   871  C CG  . TRP A 1 100 ? -25.885 -21.652 -23.088 1.00 8.80  ? 106 TRP B CG  1 
ATOM   872  C CD1 . TRP A 1 100 ? -25.803 -22.852 -22.449 1.00 10.58 ? 106 TRP B CD1 1 
ATOM   873  C CD2 . TRP A 1 100 ? -25.909 -21.970 -24.507 1.00 9.27  ? 106 TRP B CD2 1 
ATOM   874  N NE1 . TRP A 1 100 ? -25.841 -23.898 -23.360 1.00 10.65 ? 106 TRP B NE1 1 
ATOM   875  C CE2 . TRP A 1 100 ? -25.887 -23.371 -24.617 1.00 10.55 ? 106 TRP B CE2 1 
ATOM   876  C CE3 . TRP A 1 100 ? -25.977 -21.216 -25.678 1.00 9.72  ? 106 TRP B CE3 1 
ATOM   877  C CZ2 . TRP A 1 100 ? -25.960 -24.005 -25.870 1.00 11.07 ? 106 TRP B CZ2 1 
ATOM   878  C CZ3 . TRP A 1 100 ? -26.035 -21.875 -26.906 1.00 11.36 ? 106 TRP B CZ3 1 
ATOM   879  C CH2 . TRP A 1 100 ? -26.051 -23.225 -26.980 1.00 12.23 ? 106 TRP B CH2 1 
ATOM   880  N N   . THR A 1 101 ? -28.590 -18.382 -20.746 1.00 8.53  ? 107 THR B N   1 
ATOM   881  C CA  . THR A 1 101 ? -29.119 -17.088 -20.274 1.00 8.91  ? 107 THR B CA  1 
ATOM   882  C C   . THR A 1 101 ? -29.444 -17.153 -18.769 1.00 8.54  ? 107 THR B C   1 
ATOM   883  O O   . THR A 1 101 ? -29.716 -18.224 -18.231 1.00 8.77  ? 107 THR B O   1 
ATOM   884  C CB  . THR A 1 101 ? -30.384 -16.648 -21.031 1.00 9.23  ? 107 THR B CB  1 
ATOM   885  O OG1 . THR A 1 101 ? -31.443 -17.552 -20.804 1.00 10.55 ? 107 THR B OG1 1 
ATOM   886  C CG2 . THR A 1 101 ? -30.106 -16.438 -22.511 1.00 9.73  ? 107 THR B CG2 1 
ATOM   887  N N   . ILE A 1 102 ? -29.491 -15.968 -18.181 1.00 8.64  ? 108 ILE B N   1 
ATOM   888  C CA  . ILE A 1 102 ? -30.129 -15.745 -16.843 1.00 8.65  ? 108 ILE B CA  1 
ATOM   889  C C   . ILE A 1 102 ? -31.140 -14.619 -17.036 1.00 8.59  ? 108 ILE B C   1 
ATOM   890  O O   . ILE A 1 102 ? -31.068 -13.843 -18.031 1.00 9.00  ? 108 ILE B O   1 
ATOM   891  C CB  . ILE A 1 102 ? -29.109 -15.435 -15.727 1.00 9.18  ? 108 ILE B CB  1 
ATOM   892  C CG1 . ILE A 1 102 ? -28.393 -14.096 -15.914 1.00 10.13 ? 108 ILE B CG1 1 
ATOM   893  C CG2 . ILE A 1 102 ? -28.114 -16.590 -15.637 1.00 9.61  ? 108 ILE B CG2 1 
ATOM   894  C CD1 . ILE A 1 102 ? -27.588 -13.605 -14.721 1.00 11.31 ? 108 ILE B CD1 1 
ATOM   895  N N   . TRP A 1 103 ? -32.010 -14.471 -16.049 1.00 8.70  ? 109 TRP B N   1 
ATOM   896  C CA  . TRP A 1 103 ? -33.028 -13.406 -16.114 1.00 9.23  ? 109 TRP B CA  1 
ATOM   897  C C   . TRP A 1 103 ? -33.425 -12.953 -14.733 1.00 9.88  ? 109 TRP B C   1 
ATOM   898  O O   . TRP A 1 103 ? -33.264 -13.646 -13.703 1.00 10.12 ? 109 TRP B O   1 
ATOM   899  C CB  . TRP A 1 103 ? -34.219 -13.824 -16.917 1.00 11.27 ? 109 TRP B CB  1 
ATOM   900  C CG  . TRP A 1 103 ? -35.002 -14.963 -16.397 1.00 13.60 ? 109 TRP B CG  1 
ATOM   901  C CD1 . TRP A 1 103 ? -35.891 -14.971 -15.365 1.00 13.48 ? 109 TRP B CD1 1 
ATOM   902  C CD2 . TRP A 1 103 ? -35.134 -16.215 -17.043 1.00 13.65 ? 109 TRP B CD2 1 
ATOM   903  N NE1 . TRP A 1 103 ? -36.544 -16.164 -15.312 1.00 15.84 ? 109 TRP B NE1 1 
ATOM   904  C CE2 . TRP A 1 103 ? -36.101 -16.956 -16.334 1.00 14.05 ? 109 TRP B CE2 1 
ATOM   905  C CE3 . TRP A 1 103 ? -34.514 -16.760 -18.159 1.00 15.00 ? 109 TRP B CE3 1 
ATOM   906  C CZ2 . TRP A 1 103 ? -36.443 -18.261 -16.695 1.00 17.80 ? 109 TRP B CZ2 1 
ATOM   907  C CZ3 . TRP A 1 103 ? -34.870 -18.026 -18.528 1.00 17.13 ? 109 TRP B CZ3 1 
ATOM   908  C CH2 . TRP A 1 103 ? -35.813 -18.746 -17.818 1.00 16.66 ? 109 TRP B CH2 1 
ATOM   909  N N   . LEU A 1 104 ? -34.050 -11.761 -14.727 1.00 9.35  ? 110 LEU B N   1 
ATOM   910  C CA  . LEU A 1 104 ? -34.837 -11.211 -13.595 1.00 9.79  ? 110 LEU B CA  1 
ATOM   911  C C   . LEU A 1 104 ? -36.290 -11.178 -14.023 1.00 9.70  ? 110 LEU B C   1 
ATOM   912  O O   . LEU A 1 104 ? -36.612 -10.687 -15.108 1.00 10.30 ? 110 LEU B O   1 
ATOM   913  C CB  . LEU A 1 104 ? -34.379 -9.807  -13.299 1.00 10.30 ? 110 LEU B CB  1 
ATOM   914  C CG  . LEU A 1 104 ? -35.209 -9.040  -12.255 1.00 11.20 ? 110 LEU B CG  1 
ATOM   915  C CD1 . LEU A 1 104 ? -35.235 -9.719  -10.886 1.00 11.25 ? 110 LEU B CD1 1 
ATOM   916  C CD2 . LEU A 1 104 ? -34.744 -7.612  -12.147 1.00 12.59 ? 110 LEU B CD2 1 
ATOM   917  N N   . TRP A 1 105 ? -37.178 -11.656 -13.146 1.00 10.84 ? 111 TRP B N   1 
ATOM   918  C CA  . TRP A 1 105 ? -38.632 -11.648 -13.391 1.00 11.69 ? 111 TRP B CA  1 
ATOM   919  C C   . TRP A 1 105 ? -39.320 -11.698 -12.033 1.00 13.10 ? 111 TRP B C   1 
ATOM   920  O O   . TRP A 1 105 ? -39.053 -12.605 -11.229 1.00 13.42 ? 111 TRP B O   1 
ATOM   921  C CB  . TRP A 1 105 ? -39.016 -12.875 -14.204 1.00 15.14 ? 111 TRP B CB  1 
ATOM   922  C CG  . TRP A 1 105 ? -40.467 -13.103 -14.329 1.00 17.99 ? 111 TRP B CG  1 
ATOM   923  C CD1 . TRP A 1 105 ? -41.245 -14.094 -13.791 1.00 19.12 ? 111 TRP B CD1 1 
ATOM   924  C CD2 . TRP A 1 105 ? -41.307 -12.302 -15.147 1.00 18.15 ? 111 TRP B CD2 1 
ATOM   925  N NE1 . TRP A 1 105 ? -42.525 -13.912 -14.198 1.00 19.62 ? 111 TRP B NE1 1 
ATOM   926  C CE2 . TRP A 1 105 ? -42.603 -12.838 -15.039 1.00 16.90 ? 111 TRP B CE2 1 
ATOM   927  C CE3 . TRP A 1 105 ? -41.105 -11.182 -15.951 1.00 17.74 ? 111 TRP B CE3 1 
ATOM   928  C CZ2 . TRP A 1 105 ? -43.702 -12.305 -15.704 1.00 21.98 ? 111 TRP B CZ2 1 
ATOM   929  C CZ3 . TRP A 1 105 ? -42.199 -10.623 -16.576 1.00 23.30 ? 111 TRP B CZ3 1 
ATOM   930  C CH2 . TRP A 1 105 ? -43.482 -11.163 -16.447 1.00 22.95 ? 111 TRP B CH2 1 
ATOM   931  N N   . GLN A 1 106 ? -40.204 -10.713 -11.775 1.00 12.02 ? 112 GLN B N   1 
ATOM   932  C CA  . GLN A 1 106 ? -41.048 -10.719 -10.539 1.00 12.78 ? 112 GLN B CA  1 
ATOM   933  C C   . GLN A 1 106 ? -40.171 -10.929 -9.334  1.00 14.07 ? 112 GLN B C   1 
ATOM   934  O O   . GLN A 1 106 ? -40.534 -11.776 -8.428  1.00 15.63 ? 112 GLN B O   1 
ATOM   935  C CB  . GLN A 1 106 ? -42.151 -11.742 -10.663 1.00 13.49 ? 112 GLN B CB  1 
ATOM   936  C CG  . GLN A 1 106 ? -43.072 -11.393 -11.805 1.00 15.54 ? 112 GLN B CG  1 
ATOM   937  C CD  . GLN A 1 106 ? -44.354 -12.191 -11.905 1.00 17.09 ? 112 GLN B CD  1 
ATOM   938  O OE1 . GLN A 1 106 ? -45.285 -11.837 -12.655 1.00 19.63 ? 112 GLN B OE1 1 
ATOM   939  N NE2 . GLN A 1 106 ? -44.451 -13.277 -11.151 1.00 16.61 ? 112 GLN B NE2 1 
ATOM   940  N N   . ASP A 1 107 ? -39.161 -10.125 -9.215  1.00 14.46 ? 113 ASP B N   1 
ATOM   941  C CA  . ASP A 1 107 ? -38.361 -10.040 -7.992  1.00 18.29 ? 113 ASP B CA  1 
ATOM   942  C C   . ASP A 1 107 ? -37.548 -11.316 -7.724  1.00 19.11 ? 113 ASP B C   1 
ATOM   943  O O   . ASP A 1 107 ? -36.961 -11.392 -6.615  1.00 26.76 ? 113 ASP B O   1 
ATOM   944  C CB  . ASP A 1 107 ? -39.315 -9.750  -6.828  1.00 21.73 ? 113 ASP B CB  1 
ATOM   945  C CG  . ASP A 1 107 ? -38.663 -9.123  -5.640  1.00 29.80 ? 113 ASP B CG  1 
ATOM   946  O OD1 . ASP A 1 107 ? -37.715 -8.316  -5.818  1.00 33.39 ? 113 ASP B OD1 1 
ATOM   947  O OD2 . ASP A 1 107 ? -39.158 -9.428  -4.525  1.00 36.02 ? 113 ASP B OD2 1 
ATOM   948  N N   . SER A 1 108 ? -37.388 -12.219 -8.686  1.00 15.11 ? 114 SER B N   1 
ATOM   949  C CA  . SER A 1 108 ? -36.500 -13.404 -8.543  1.00 16.56 ? 114 SER B CA  1 
ATOM   950  C C   . SER A 1 108 ? -35.570 -13.486 -9.753  1.00 13.47 ? 114 SER B C   1 
ATOM   951  O O   . SER A 1 108 ? -35.945 -13.182 -10.928 1.00 13.63 ? 114 SER B O   1 
ATOM   952  C CB  . SER A 1 108 ? -37.312 -14.617 -8.255  1.00 20.61 ? 114 SER B CB  1 
ATOM   953  O OG  . SER A 1 108 ? -37.964 -15.091 -9.388  1.00 28.30 ? 114 SER B OG  1 
ATOM   954  N N   . TYR A 1 109 ? -34.377 -13.972 -9.512  1.00 11.55 ? 115 TYR B N   1 
ATOM   955  C CA  . TYR A 1 109 ? -33.351 -14.246 -10.556 1.00 11.33 ? 115 TYR B CA  1 
ATOM   956  C C   . TYR A 1 109 ? -33.312 -15.736 -10.828 1.00 10.53 ? 115 TYR B C   1 
ATOM   957  O O   . TYR A 1 109 ? -33.324 -16.555 -9.857  1.00 11.78 ? 115 TYR B O   1 
ATOM   958  C CB  . TYR A 1 109 ? -31.998 -13.743 -10.099 1.00 11.97 ? 115 TYR B CB  1 
ATOM   959  C CG  . TYR A 1 109 ? -31.934 -12.241 -9.872  1.00 12.40 ? 115 TYR B CG  1 
ATOM   960  C CD1 . TYR A 1 109 ? -32.174 -11.700 -8.609  1.00 13.38 ? 115 TYR B CD1 1 
ATOM   961  C CD2 . TYR A 1 109 ? -31.584 -11.372 -10.887 1.00 11.93 ? 115 TYR B CD2 1 
ATOM   962  C CE1 . TYR A 1 109 ? -32.078 -10.334 -8.378  1.00 14.15 ? 115 TYR B CE1 1 
ATOM   963  C CE2 . TYR A 1 109 ? -31.518 -10.005 -10.673 1.00 12.20 ? 115 TYR B CE2 1 
ATOM   964  C CZ  . TYR A 1 109 ? -31.738 -9.488  -9.414  1.00 12.43 ? 115 TYR B CZ  1 
ATOM   965  O OH  . TYR A 1 109 ? -31.726 -8.135  -9.166  1.00 13.67 ? 115 TYR B OH  1 
ATOM   966  N N   A GLU A 1 110 ? -33.248 -16.121 -12.105 0.25 10.50 ? 116 GLU B N   1 
ATOM   967  N N   B GLU A 1 110 ? -33.352 -16.126 -12.110 0.25 10.41 ? 116 GLU B N   1 
ATOM   968  C CA  A GLU A 1 110 ? -33.273 -17.551 -12.488 0.25 11.02 ? 116 GLU B CA  1 
ATOM   969  C CA  B GLU A 1 110 ? -33.313 -17.543 -12.543 0.25 10.90 ? 116 GLU B CA  1 
ATOM   970  C C   A GLU A 1 110 ? -32.369 -17.793 -13.693 0.25 9.62  ? 116 GLU B C   1 
ATOM   971  C C   B GLU A 1 110 ? -32.240 -17.726 -13.619 0.25 9.40  ? 116 GLU B C   1 
ATOM   972  O O   A GLU A 1 110 ? -32.262 -16.946 -14.577 0.25 9.42  ? 116 GLU B O   1 
ATOM   973  O O   B GLU A 1 110 ? -31.862 -16.740 -14.327 0.25 8.64  ? 116 GLU B O   1 
ATOM   974  C CB  A GLU A 1 110 ? -34.698 -18.002 -12.784 0.25 12.60 ? 116 GLU B CB  1 
ATOM   975  C CB  B GLU A 1 110 ? -34.666 -17.987 -13.089 0.25 12.55 ? 116 GLU B CB  1 
ATOM   976  C CG  A GLU A 1 110 ? -35.662 -17.836 -11.605 0.25 14.77 ? 116 GLU B CG  1 
ATOM   977  C CG  B GLU A 1 110 ? -35.822 -17.855 -12.102 0.25 15.17 ? 116 GLU B CG  1 
ATOM   978  C CD  A GLU A 1 110 ? -37.090 -18.250 -11.921 0.25 16.68 ? 116 GLU B CD  1 
ATOM   979  C CD  B GLU A 1 110 ? -35.950 -18.991 -11.097 0.25 16.02 ? 116 GLU B CD  1 
ATOM   980  O OE1 A GLU A 1 110 ? -37.557 -17.959 -13.042 0.25 19.04 ? 116 GLU B OE1 1 
ATOM   981  O OE1 B GLU A 1 110 ? -35.489 -20.113 -11.392 0.25 20.97 ? 116 GLU B OE1 1 
ATOM   982  O OE2 A GLU A 1 110 ? -37.730 -18.872 -11.049 0.25 18.48 ? 116 GLU B OE2 1 
ATOM   983  O OE2 B GLU A 1 110 ? -36.558 -18.765 -10.043 0.25 22.27 ? 116 GLU B OE2 1 
ATOM   984  N N   . ALA A 1 111 ? -31.750 -18.969 -13.729 1.00 9.84  ? 117 ALA B N   1 
ATOM   985  C CA  . ALA A 1 111 ? -30.982 -19.398 -14.915 1.00 10.21 ? 117 ALA B CA  1 
ATOM   986  C C   . ALA A 1 111 ? -31.910 -20.140 -15.856 1.00 9.84  ? 117 ALA B C   1 
ATOM   987  O O   . ALA A 1 111 ? -32.778 -20.930 -15.428 1.00 10.60 ? 117 ALA B O   1 
ATOM   988  C CB  . ALA A 1 111 ? -29.809 -20.294 -14.553 1.00 9.98  ? 117 ALA B CB  1 
ATOM   989  N N   . GLY A 1 112 ? -31.738 -19.894 -17.171 1.00 10.21 ? 118 GLY B N   1 
ATOM   990  C CA  . GLY A 1 112 ? -32.563 -20.460 -18.235 1.00 12.09 ? 118 GLY B CA  1 
ATOM   991  C C   . GLY A 1 112 ? -32.184 -21.885 -18.545 1.00 12.02 ? 118 GLY B C   1 
ATOM   992  O O   . GLY A 1 112 ? -31.823 -22.253 -19.640 1.00 14.66 ? 118 GLY B O   1 
ATOM   993  N N   . THR A 1 113 ? -32.155 -22.781 -17.582 1.00 14.90 ? 119 THR B N   1 
ATOM   994  C CA  . THR A 1 113 ? -32.161 -24.236 -17.789 1.00 16.16 ? 119 THR B CA  1 
ATOM   995  C C   . THR A 1 113 ? -33.590 -24.722 -18.020 1.00 15.90 ? 119 THR B C   1 
ATOM   996  O O   . THR A 1 113 ? -34.526 -23.952 -17.852 1.00 17.93 ? 119 THR B O   1 
ATOM   997  C CB  . THR A 1 113 ? -31.558 -24.854 -16.552 1.00 13.99 ? 119 THR B CB  1 
ATOM   998  O OG1 . THR A 1 113 ? -32.267 -24.421 -15.367 1.00 13.38 ? 119 THR B OG1 1 
ATOM   999  C CG2 . THR A 1 113 ? -30.120 -24.512 -16.359 1.00 15.39 ? 119 THR B CG2 1 
ATOM   1000 N N   . SER A 1 114 ? -33.784 -26.001 -18.356 1.00 19.93 ? 120 SER B N   1 
ATOM   1001 C CA  . SER A 1 114 ? -35.145 -26.550 -18.523 1.00 23.44 ? 120 SER B CA  1 
ATOM   1002 C C   . SER A 1 114 ? -35.331 -27.733 -17.574 1.00 24.98 ? 120 SER B C   1 
ATOM   1003 O O   . SER A 1 114 ? -34.683 -28.767 -17.739 1.00 26.51 ? 120 SER B O   1 
ATOM   1004 C CB  . SER A 1 114 ? -35.416 -26.905 -19.979 1.00 27.96 ? 120 SER B CB  1 
ATOM   1005 O OG  . SER A 1 114 ? -36.733 -27.433 -20.117 1.00 30.93 ? 120 SER B OG  1 
ATOM   1006 N N   . PRO A 1 115 ? -36.096 -27.584 -16.471 1.00 21.78 ? 121 PRO B N   1 
ATOM   1007 C CA  . PRO A 1 115 ? -36.767 -26.350 -16.088 1.00 22.27 ? 121 PRO B CA  1 
ATOM   1008 C C   . PRO A 1 115 ? -35.776 -25.352 -15.461 1.00 17.41 ? 121 PRO B C   1 
ATOM   1009 O O   . PRO A 1 115 ? -34.647 -25.675 -15.194 1.00 16.27 ? 121 PRO B O   1 
ATOM   1010 C CB  . PRO A 1 115 ? -37.785 -26.814 -15.049 1.00 24.53 ? 121 PRO B CB  1 
ATOM   1011 C CG  . PRO A 1 115 ? -37.074 -27.958 -14.357 1.00 24.41 ? 121 PRO B CG  1 
ATOM   1012 C CD  . PRO A 1 115 ? -36.268 -28.645 -15.450 1.00 24.19 ? 121 PRO B CD  1 
ATOM   1013 N N   . GLN A 1 116 ? -36.230 -24.132 -15.258 1.00 16.03 ? 122 GLN B N   1 
ATOM   1014 C CA  . GLN A 1 116 ? -35.371 -23.023 -14.786 1.00 15.13 ? 122 GLN B CA  1 
ATOM   1015 C C   . GLN A 1 116 ? -34.823 -23.294 -13.373 1.00 13.30 ? 122 GLN B C   1 
ATOM   1016 O O   . GLN A 1 116 ? -35.464 -24.024 -12.586 1.00 15.12 ? 122 GLN B O   1 
ATOM   1017 C CB  . GLN A 1 116 ? -36.104 -21.684 -14.900 1.00 19.14 ? 122 GLN B CB  1 
ATOM   1018 C CG  . GLN A 1 116 ? -37.173 -21.430 -13.854 1.00 25.56 ? 122 GLN B CG  1 
ATOM   1019 C CD  . GLN A 1 116 ? -38.571 -21.809 -14.274 1.00 35.57 ? 122 GLN B CD  1 
ATOM   1020 O OE1 . GLN A 1 116 ? -38.787 -22.764 -15.029 1.00 42.69 ? 122 GLN B OE1 1 
ATOM   1021 N NE2 . GLN A 1 116 ? -39.542 -21.082 -13.738 1.00 41.75 ? 122 GLN B NE2 1 
ATOM   1022 N N   . THR A 1 117 ? -33.699 -22.692 -13.082 1.00 11.80 ? 123 THR B N   1 
ATOM   1023 C CA  . THR A 1 117 ? -32.989 -22.859 -11.805 1.00 11.36 ? 123 THR B CA  1 
ATOM   1024 C C   . THR A 1 117 ? -33.032 -21.562 -11.020 1.00 11.40 ? 123 THR B C   1 
ATOM   1025 O O   . THR A 1 117 ? -32.559 -20.527 -11.512 1.00 12.58 ? 123 THR B O   1 
ATOM   1026 C CB  . THR A 1 117 ? -31.547 -23.325 -12.068 1.00 11.16 ? 123 THR B CB  1 
ATOM   1027 O OG1 . THR A 1 117 ? -31.567 -24.553 -12.788 1.00 12.73 ? 123 THR B OG1 1 
ATOM   1028 C CG2 . THR A 1 117 ? -30.787 -23.492 -10.770 1.00 12.49 ? 123 THR B CG2 1 
ATOM   1029 N N   . THR A 1 118 ? -33.390 -21.641 -9.743  1.00 11.79 ? 124 THR B N   1 
ATOM   1030 C CA  . THR A 1 118 ? -33.350 -20.493 -8.826  1.00 12.89 ? 124 THR B CA  1 
ATOM   1031 C C   . THR A 1 118 ? -31.933 -20.030 -8.564  1.00 12.19 ? 124 THR B C   1 
ATOM   1032 O O   . THR A 1 118 ? -31.041 -20.893 -8.283  1.00 15.26 ? 124 THR B O   1 
ATOM   1033 C CB  . THR A 1 118 ? -33.996 -20.945 -7.500  1.00 16.12 ? 124 THR B CB  1 
ATOM   1034 O OG1 . THR A 1 118 ? -35.354 -21.276 -7.785  1.00 18.88 ? 124 THR B OG1 1 
ATOM   1035 C CG2 . THR A 1 118 ? -33.829 -19.912 -6.401  1.00 19.62 ? 124 THR B CG2 1 
ATOM   1036 N N   . LEU A 1 119 ? -31.658 -18.743 -8.684  1.00 11.60 ? 125 LEU B N   1 
ATOM   1037 C CA  . LEU A 1 119 ? -30.376 -18.132 -8.368  1.00 11.14 ? 125 LEU B CA  1 
ATOM   1038 C C   . LEU A 1 119 ? -30.439 -17.546 -6.954  1.00 13.36 ? 125 LEU B C   1 
ATOM   1039 O O   . LEU A 1 119 ? -31.564 -17.280 -6.454  1.00 18.02 ? 125 LEU B O   1 
ATOM   1040 C CB  . LEU A 1 119 ? -29.933 -17.067 -9.383  1.00 10.85 ? 125 LEU B CB  1 
ATOM   1041 C CG  . LEU A 1 119 ? -29.867 -17.580 -10.822 1.00 10.40 ? 125 LEU B CG  1 
ATOM   1042 C CD1 . LEU A 1 119 ? -29.592 -16.451 -11.806 1.00 11.77 ? 125 LEU B CD1 1 
ATOM   1043 C CD2 . LEU A 1 119 ? -28.809 -18.672 -10.956 1.00 11.53 ? 125 LEU B CD2 1 
ATOM   1044 N N   . HIS A 1 120 ? -29.310 -17.433 -6.299  1.00 13.40 ? 126 HIS B N   1 
ATOM   1045 C CA  . HIS A 1 120 ? -29.187 -16.951 -4.895  1.00 14.24 ? 126 HIS B CA  1 
ATOM   1046 C C   . HIS A 1 120 ? -28.322 -15.705 -4.947  1.00 15.71 ? 126 HIS B C   1 
ATOM   1047 O O   . HIS A 1 120 ? -27.080 -15.823 -4.984  1.00 21.38 ? 126 HIS B O   1 
ATOM   1048 C CB  . HIS A 1 120 ? -28.584 -18.069 -4.008  1.00 15.92 ? 126 HIS B CB  1 
ATOM   1049 C CG  . HIS A 1 120 ? -29.375 -19.340 -3.977  1.00 16.58 ? 126 HIS B CG  1 
ATOM   1050 N ND1 . HIS A 1 120 ? -29.068 -20.430 -4.789  1.00 20.61 ? 126 HIS B ND1 1 
ATOM   1051 C CD2 . HIS A 1 120 ? -30.443 -19.711 -3.259  1.00 20.24 ? 126 HIS B CD2 1 
ATOM   1052 C CE1 . HIS A 1 120 ? -29.956 -21.393 -4.580  1.00 21.44 ? 126 HIS B CE1 1 
ATOM   1053 N NE2 . HIS A 1 120 ? -30.767 -21.012 -3.618  1.00 19.21 ? 126 HIS B NE2 1 
ATOM   1054 N N   . ILE A 1 121 ? -28.914 -14.543 -5.061  1.00 17.70 ? 127 ILE B N   1 
ATOM   1055 C CA  . ILE A 1 121 ? -28.150 -13.279 -5.189  1.00 19.38 ? 127 ILE B CA  1 
ATOM   1056 C C   . ILE A 1 121 ? -28.524 -12.402 -3.965  1.00 21.10 ? 127 ILE B C   1 
ATOM   1057 O O   . ILE A 1 121 ? -29.691 -12.161 -3.744  1.00 27.41 ? 127 ILE B O   1 
ATOM   1058 C CB  . ILE A 1 121 ? -28.402 -12.598 -6.550  1.00 19.51 ? 127 ILE B CB  1 
ATOM   1059 C CG1 . ILE A 1 121 ? -28.192 -13.521 -7.757  1.00 17.77 ? 127 ILE B CG1 1 
ATOM   1060 C CG2 . ILE A 1 121 ? -27.467 -11.401 -6.652  1.00 24.74 ? 127 ILE B CG2 1 
ATOM   1061 C CD1 . ILE A 1 121 ? -28.370 -12.822 -9.097  1.00 18.06 ? 127 ILE B CD1 1 
ATOM   1062 N N   . GLN A 1 122 ? -27.545 -12.076 -3.140  1.00 24.86 ? 128 GLN B N   1 
ATOM   1063 C CA  . GLN A 1 122 ? -27.784 -11.293 -1.885  1.00 27.00 ? 128 GLN B CA  1 
ATOM   1064 C C   . GLN A 1 122 ? -27.788 -9.794  -2.205  1.00 24.44 ? 128 GLN B C   1 
ATOM   1065 O O   . GLN A 1 122 ? -28.607 -9.039  -1.604  1.00 25.31 ? 128 GLN B O   1 
ATOM   1066 C CB  . GLN A 1 122 ? -26.706 -11.647 -0.855  1.00 29.80 ? 128 GLN B CB  1 
ATOM   1067 C CG  . GLN A 1 122 ? -26.762 -10.821 0.435   1.00 37.84 ? 128 GLN B CG  1 
ATOM   1068 C CD  . GLN A 1 122 ? -28.031 -10.992 1.248   1.00 42.98 ? 128 GLN B CD  1 
ATOM   1069 O OE1 . GLN A 1 122 ? -28.738 -11.996 1.155   1.00 48.83 ? 128 GLN B OE1 1 
ATOM   1070 N NE2 . GLN A 1 122 ? -28.330 -10.001 2.072   1.00 46.61 ? 128 GLN B NE2 1 
ATOM   1071 N N   . VAL A 1 123 ? -27.012 -9.382  -3.204  1.00 20.76 ? 129 VAL B N   1 
ATOM   1072 C CA  . VAL A 1 123 ? -26.871 -7.943  -3.590  1.00 18.57 ? 129 VAL B CA  1 
ATOM   1073 C C   . VAL A 1 123 ? -27.457 -7.764  -4.984  1.00 17.72 ? 129 VAL B C   1 
ATOM   1074 O O   . VAL A 1 123 ? -26.823 -8.242  -5.951  1.00 16.76 ? 129 VAL B O   1 
ATOM   1075 C CB  . VAL A 1 123 ? -25.398 -7.519  -3.567  1.00 20.57 ? 129 VAL B CB  1 
ATOM   1076 C CG1 . VAL A 1 123 ? -25.191 -6.080  -4.058  1.00 21.50 ? 129 VAL B CG1 1 
ATOM   1077 C CG2 . VAL A 1 123 ? -24.816 -7.674  -2.164  1.00 23.28 ? 129 VAL B CG2 1 
ATOM   1078 N N   . PRO A 1 124 ? -28.685 -7.233  -5.173  1.00 16.65 ? 130 PRO B N   1 
ATOM   1079 C CA  . PRO A 1 124 ? -29.238 -7.123  -6.525  1.00 16.86 ? 130 PRO B CA  1 
ATOM   1080 C C   . PRO A 1 124 ? -28.269 -6.412  -7.443  1.00 16.31 ? 130 PRO B C   1 
ATOM   1081 O O   . PRO A 1 124 ? -27.744 -5.357  -7.154  1.00 16.58 ? 130 PRO B O   1 
ATOM   1082 C CB  . PRO A 1 124 ? -30.510 -6.286  -6.296  1.00 19.80 ? 130 PRO B CB  1 
ATOM   1083 C CG  . PRO A 1 124 ? -30.912 -6.657  -4.866  1.00 20.89 ? 130 PRO B CG  1 
ATOM   1084 C CD  . PRO A 1 124 ? -29.615 -6.738  -4.129  1.00 20.58 ? 130 PRO B CD  1 
ATOM   1085 N N   . PRO A 1 125 ? -27.885 -7.032  -8.577  1.00 14.30 ? 131 PRO B N   1 
ATOM   1086 C CA  . PRO A 1 125 ? -26.894 -6.445  -9.446  1.00 13.67 ? 131 PRO B CA  1 
ATOM   1087 C C   . PRO A 1 125 ? -27.407 -5.241  -10.234 1.00 13.26 ? 131 PRO B C   1 
ATOM   1088 O O   . PRO A 1 125 ? -28.514 -5.284  -10.741 1.00 14.20 ? 131 PRO B O   1 
ATOM   1089 C CB  . PRO A 1 125 ? -26.478 -7.623  -10.353 1.00 14.25 ? 131 PRO B CB  1 
ATOM   1090 C CG  . PRO A 1 125 ? -27.628 -8.561  -10.292 1.00 16.63 ? 131 PRO B CG  1 
ATOM   1091 C CD  . PRO A 1 125 ? -28.230 -8.415  -8.930  1.00 14.88 ? 131 PRO B CD  1 
ATOM   1092 N N   . CYS A 1 126 ? -26.546 -4.246  -10.358 1.00 13.14 ? 132 CYS B N   1 
ATOM   1093 C CA  . CYS A 1 126 ? -26.752 -3.143  -11.334 1.00 13.12 ? 132 CYS B CA  1 
ATOM   1094 C C   . CYS A 1 126 ? -25.949 -3.361  -12.615 1.00 12.11 ? 132 CYS B C   1 
ATOM   1095 O O   . CYS A 1 126 ? -26.258 -2.786  -13.651 1.00 12.77 ? 132 CYS B O   1 
ATOM   1096 C CB  . CYS A 1 126 ? -26.411 -1.788  -10.754 1.00 15.51 ? 132 CYS B CB  1 
ATOM   1097 S SG  . CYS A 1 126 ? -27.384 -1.360  -9.285  1.00 22.49 ? 132 CYS B SG  1 
ATOM   1098 N N   A GLN A 1 127 ? -24.855 -4.138  -12.559 0.25 12.54 ? 133 GLN B N   1 
ATOM   1099 N N   B GLN A 1 127 ? -24.996 -4.290  -12.534 0.25 12.87 ? 133 GLN B N   1 
ATOM   1100 C CA  A GLN A 1 127 ? -24.103 -4.560  -13.778 0.25 13.07 ? 133 GLN B CA  1 
ATOM   1101 C CA  B GLN A 1 127 ? -24.066 -4.602  -13.640 0.25 14.01 ? 133 GLN B CA  1 
ATOM   1102 C C   A GLN A 1 127 ? -23.716 -6.037  -13.652 0.25 12.22 ? 133 GLN B C   1 
ATOM   1103 C C   B GLN A 1 127 ? -23.826 -6.113  -13.606 0.25 12.69 ? 133 GLN B C   1 
ATOM   1104 O O   A GLN A 1 127 ? -23.258 -6.467  -12.558 0.25 11.33 ? 133 GLN B O   1 
ATOM   1105 O O   B GLN A 1 127 ? -23.710 -6.681  -12.503 0.25 11.66 ? 133 GLN B O   1 
ATOM   1106 C CB  A GLN A 1 127 ? -22.827 -3.759  -14.064 0.25 14.32 ? 133 GLN B CB  1 
ATOM   1107 C CB  B GLN A 1 127 ? -22.802 -3.753  -13.503 0.25 16.23 ? 133 GLN B CB  1 
ATOM   1108 C CG  A GLN A 1 127 ? -23.024 -2.264  -14.295 0.25 15.71 ? 133 GLN B CG  1 
ATOM   1109 C CG  B GLN A 1 127 ? -23.046 -2.265  -13.696 0.25 18.56 ? 133 GLN B CG  1 
ATOM   1110 C CD  A GLN A 1 127 ? -22.933 -1.495  -12.998 0.25 17.60 ? 133 GLN B CD  1 
ATOM   1111 C CD  B GLN A 1 127 ? -21.824 -1.505  -14.149 0.25 20.55 ? 133 GLN B CD  1 
ATOM   1112 O OE1 A GLN A 1 127 ? -22.193 -1.868  -12.089 0.25 18.40 ? 133 GLN B OE1 1 
ATOM   1113 O OE1 B GLN A 1 127 ? -20.725 -2.043  -14.239 0.25 24.46 ? 133 GLN B OE1 1 
ATOM   1114 N NE2 A GLN A 1 127 ? -23.717 -0.430  -12.889 0.25 17.97 ? 133 GLN B NE2 1 
ATOM   1115 N NE2 B GLN A 1 127 ? -22.017 -0.236  -14.446 0.25 22.90 ? 133 GLN B NE2 1 
ATOM   1116 N N   . ILE A 1 128 ? -23.877 -6.741  -14.779 1.00 12.01 ? 134 ILE B N   1 
ATOM   1117 C CA  . ILE A 1 128 ? -23.681 -8.207  -14.936 1.00 11.98 ? 134 ILE B CA  1 
ATOM   1118 C C   . ILE A 1 128 ? -22.479 -8.371  -15.863 1.00 11.28 ? 134 ILE B C   1 
ATOM   1119 O O   . ILE A 1 128 ? -22.443 -7.790  -16.975 1.00 11.33 ? 134 ILE B O   1 
ATOM   1120 C CB  . ILE A 1 128 ? -24.937 -8.853  -15.555 1.00 12.66 ? 134 ILE B CB  1 
ATOM   1121 C CG1 . ILE A 1 128 ? -26.243 -8.672  -14.748 1.00 16.05 ? 134 ILE B CG1 1 
ATOM   1122 C CG2 . ILE A 1 128 ? -24.691 -10.346 -15.846 1.00 12.97 ? 134 ILE B CG2 1 
ATOM   1123 C CD1 . ILE A 1 128 ? -26.257 -9.419  -13.522 1.00 15.65 ? 134 ILE B CD1 1 
ATOM   1124 N N   . GLY A 1 129 ? -21.528 -9.241  -15.506 1.00 11.02 ? 135 GLY B N   1 
ATOM   1125 C CA  . GLY A 1 129 ? -20.456 -9.693  -16.407 1.00 10.89 ? 135 GLY B CA  1 
ATOM   1126 C C   . GLY A 1 129 ? -20.762 -11.066 -16.973 1.00 10.37 ? 135 GLY B C   1 
ATOM   1127 O O   . GLY A 1 129 ? -21.291 -11.927 -16.285 1.00 11.30 ? 135 GLY B O   1 
ATOM   1128 N N   . ILE A 1 130 ? -20.519 -11.217 -18.282 1.00 10.95 ? 136 ILE B N   1 
ATOM   1129 C CA  . ILE A 1 130 ? -20.782 -12.471 -19.033 1.00 10.76 ? 136 ILE B CA  1 
ATOM   1130 C C   . ILE A 1 130 ? -19.478 -12.953 -19.633 1.00 10.95 ? 136 ILE B C   1 
ATOM   1131 O O   . ILE A 1 130 ? -18.805 -12.195 -20.338 1.00 11.59 ? 136 ILE B O   1 
ATOM   1132 C CB  . ILE A 1 130 ? -21.831 -12.237 -20.126 1.00 11.26 ? 136 ILE B CB  1 
ATOM   1133 C CG1 . ILE A 1 130 ? -23.118 -11.703 -19.503 1.00 12.70 ? 136 ILE B CG1 1 
ATOM   1134 C CG2 . ILE A 1 130 ? -22.113 -13.531 -20.898 1.00 12.61 ? 136 ILE B CG2 1 
ATOM   1135 C CD1 . ILE A 1 130 ? -24.150 -11.350 -20.458 1.00 16.59 ? 136 ILE B CD1 1 
ATOM   1136 N N   . PHE A 1 131 ? -19.105 -14.169 -19.272 1.00 10.90 ? 137 PHE B N   1 
ATOM   1137 C CA  . PHE A 1 131 ? -17.852 -14.805 -19.739 1.00 10.22 ? 137 PHE B CA  1 
ATOM   1138 C C   . PHE A 1 131 ? -18.207 -16.062 -20.510 1.00 10.32 ? 137 PHE B C   1 
ATOM   1139 O O   . PHE A 1 131 ? -18.980 -16.905 -20.046 1.00 10.86 ? 137 PHE B O   1 
ATOM   1140 C CB  . PHE A 1 131 ? -16.999 -15.196 -18.545 1.00 11.68 ? 137 PHE B CB  1 
ATOM   1141 C CG  . PHE A 1 131 ? -15.747 -15.950 -18.894 1.00 12.92 ? 137 PHE B CG  1 
ATOM   1142 C CD1 . PHE A 1 131 ? -14.720 -15.317 -19.549 1.00 14.79 ? 137 PHE B CD1 1 
ATOM   1143 C CD2 . PHE A 1 131 ? -15.592 -17.285 -18.579 1.00 14.73 ? 137 PHE B CD2 1 
ATOM   1144 C CE1 . PHE A 1 131 ? -13.563 -16.013 -19.895 1.00 16.98 ? 137 PHE B CE1 1 
ATOM   1145 C CE2 . PHE A 1 131 ? -14.436 -17.989 -18.915 1.00 17.03 ? 137 PHE B CE2 1 
ATOM   1146 C CZ  . PHE A 1 131 ? -13.427 -17.334 -19.572 1.00 16.52 ? 137 PHE B CZ  1 
ATOM   1147 N N   . VAL A 1 132 ? -17.637 -16.191 -21.711 1.00 10.87 ? 138 VAL B N   1 
ATOM   1148 C CA  . VAL A 1 132 ? -17.785 -17.380 -22.572 1.00 11.11 ? 138 VAL B CA  1 
ATOM   1149 C C   . VAL A 1 132 ? -16.392 -17.959 -22.850 1.00 10.27 ? 138 VAL B C   1 
ATOM   1150 O O   . VAL A 1 132 ? -15.501 -17.241 -23.313 1.00 12.16 ? 138 VAL B O   1 
ATOM   1151 C CB  . VAL A 1 132 ? -18.506 -17.044 -23.880 1.00 11.59 ? 138 VAL B CB  1 
ATOM   1152 C CG1 . VAL A 1 132 ? -18.625 -18.281 -24.755 1.00 13.42 ? 138 VAL B CG1 1 
ATOM   1153 C CG2 . VAL A 1 132 ? -19.876 -16.422 -23.619 1.00 13.44 ? 138 VAL B CG2 1 
ATOM   1154 N N   . ASP A 1 133 ? -16.245 -19.231 -22.548 1.00 10.70 ? 139 ASP B N   1 
ATOM   1155 C CA  . ASP A 1 133 ? -15.046 -20.005 -22.993 1.00 12.40 ? 139 ASP B CA  1 
ATOM   1156 C C   . ASP A 1 133 ? -15.536 -21.034 -23.998 1.00 10.50 ? 139 ASP B C   1 
ATOM   1157 O O   . ASP A 1 133 ? -16.139 -22.035 -23.644 1.00 11.21 ? 139 ASP B O   1 
ATOM   1158 C CB  . ASP A 1 133 ? -14.293 -20.608 -21.832 1.00 13.54 ? 139 ASP B CB  1 
ATOM   1159 C CG  . ASP A 1 133 ? -13.032 -21.384 -22.202 1.00 15.98 ? 139 ASP B CG  1 
ATOM   1160 O OD1 . ASP A 1 133 ? -12.904 -21.820 -23.369 1.00 16.09 ? 139 ASP B OD1 1 
ATOM   1161 O OD2 . ASP A 1 133 ? -12.196 -21.496 -21.268 1.00 19.71 ? 139 ASP B OD2 1 
ATOM   1162 N N   . TYR A 1 134 ? -15.330 -20.733 -25.277 1.00 11.61 ? 140 TYR B N   1 
ATOM   1163 C CA  . TYR A 1 134 ? -15.912 -21.575 -26.350 1.00 12.21 ? 140 TYR B CA  1 
ATOM   1164 C C   . TYR A 1 134 ? -15.392 -23.023 -26.289 1.00 12.84 ? 140 TYR B C   1 
ATOM   1165 O O   . TYR A 1 134 ? -16.111 -23.978 -26.245 1.00 14.23 ? 140 TYR B O   1 
ATOM   1166 C CB  . TYR A 1 134 ? -15.675 -20.966 -27.740 1.00 12.32 ? 140 TYR B CB  1 
ATOM   1167 C CG  . TYR A 1 134 ? -16.599 -21.580 -28.765 1.00 12.10 ? 140 TYR B CG  1 
ATOM   1168 C CD1 . TYR A 1 134 ? -16.390 -22.851 -29.288 1.00 12.76 ? 140 TYR B CD1 1 
ATOM   1169 C CD2 . TYR A 1 134 ? -17.746 -20.901 -29.181 1.00 12.57 ? 140 TYR B CD2 1 
ATOM   1170 C CE1 . TYR A 1 134 ? -17.271 -23.443 -30.170 1.00 12.24 ? 140 TYR B CE1 1 
ATOM   1171 C CE2 . TYR A 1 134 ? -18.648 -21.483 -30.063 1.00 12.57 ? 140 TYR B CE2 1 
ATOM   1172 C CZ  . TYR A 1 134 ? -18.433 -22.766 -30.552 1.00 11.55 ? 140 TYR B CZ  1 
ATOM   1173 O OH  . TYR A 1 134 ? -19.322 -23.362 -31.404 1.00 12.96 ? 140 TYR B OH  1 
ATOM   1174 N N   . GLU A 1 135 ? -14.080 -23.141 -26.169 1.00 14.57 ? 141 GLU B N   1 
ATOM   1175 C CA  . GLU A 1 135 ? -13.433 -24.480 -26.210 1.00 15.14 ? 141 GLU B CA  1 
ATOM   1176 C C   . GLU A 1 135 ? -13.814 -25.283 -24.982 1.00 15.19 ? 141 GLU B C   1 
ATOM   1177 O O   . GLU A 1 135 ? -14.119 -26.484 -25.119 1.00 18.28 ? 141 GLU B O   1 
ATOM   1178 C CB  . GLU A 1 135 ? -11.924 -24.376 -26.356 1.00 17.41 ? 141 GLU B CB  1 
ATOM   1179 C CG  . GLU A 1 135 ? -11.565 -24.223 -27.846 1.00 21.80 ? 141 GLU B CG  1 
ATOM   1180 C CD  . GLU A 1 135 ? -11.872 -22.874 -28.413 1.00 24.00 ? 141 GLU B CD  1 
ATOM   1181 O OE1 . GLU A 1 135 ? -12.018 -22.758 -29.583 1.00 23.77 ? 141 GLU B OE1 1 
ATOM   1182 O OE2 . GLU A 1 135 ? -11.901 -21.898 -27.623 1.00 27.01 ? 141 GLU B OE2 1 
ATOM   1183 N N   . ALA A 1 136 ? -13.903 -24.677 -23.800 1.00 13.78 ? 142 ALA B N   1 
ATOM   1184 C CA  . ALA A 1 136 ? -14.261 -25.379 -22.572 1.00 15.29 ? 142 ALA B CA  1 
ATOM   1185 C C   . ALA A 1 136 ? -15.760 -25.687 -22.496 1.00 14.72 ? 142 ALA B C   1 
ATOM   1186 O O   . ALA A 1 136 ? -16.167 -26.528 -21.671 1.00 17.09 ? 142 ALA B O   1 
ATOM   1187 C CB  . ALA A 1 136 ? -13.846 -24.568 -21.378 1.00 16.52 ? 142 ALA B CB  1 
ATOM   1188 N N   . GLY A 1 137 ? -16.614 -25.023 -23.281 1.00 12.82 ? 143 GLY B N   1 
ATOM   1189 C CA  . GLY A 1 137 ? -18.068 -25.179 -23.208 1.00 12.04 ? 143 GLY B CA  1 
ATOM   1190 C C   . GLY A 1 137 ? -18.633 -24.563 -21.908 1.00 10.85 ? 143 GLY B C   1 
ATOM   1191 O O   . GLY A 1 137 ? -19.403 -25.245 -21.219 1.00 12.24 ? 143 GLY B O   1 
ATOM   1192 N N   . VAL A 1 138 ? -18.196 -23.348 -21.603 1.00 11.31 ? 144 VAL B N   1 
ATOM   1193 C CA  . VAL A 1 138 ? -18.618 -22.634 -20.355 1.00 11.42 ? 144 VAL B CA  1 
ATOM   1194 C C   . VAL A 1 138 ? -19.234 -21.287 -20.704 1.00 10.52 ? 144 VAL B C   1 
ATOM   1195 O O   . VAL A 1 138 ? -18.639 -20.513 -21.462 1.00 11.03 ? 144 VAL B O   1 
ATOM   1196 C CB  . VAL A 1 138 ? -17.391 -22.448 -19.447 1.00 12.25 ? 144 VAL B CB  1 
ATOM   1197 C CG1 . VAL A 1 138 ? -17.652 -21.470 -18.291 1.00 12.96 ? 144 VAL B CG1 1 
ATOM   1198 C CG2 . VAL A 1 138 ? -16.917 -23.814 -18.946 1.00 14.17 ? 144 VAL B CG2 1 
ATOM   1199 N N   . VAL A 1 139 ? -20.327 -20.981 -20.003 1.00 10.57 ? 145 VAL B N   1 
ATOM   1200 C CA  . VAL A 1 139 ? -20.896 -19.599 -19.942 1.00 9.90  ? 145 VAL B CA  1 
ATOM   1201 C C   . VAL A 1 139 ? -21.090 -19.245 -18.453 1.00 8.99  ? 145 VAL B C   1 
ATOM   1202 O O   . VAL A 1 139 ? -21.849 -19.963 -17.798 1.00 9.97  ? 145 VAL B O   1 
ATOM   1203 C CB  . VAL A 1 139 ? -22.215 -19.486 -20.718 1.00 9.47  ? 145 VAL B CB  1 
ATOM   1204 C CG1 . VAL A 1 139 ? -22.727 -18.048 -20.713 1.00 9.86  ? 145 VAL B CG1 1 
ATOM   1205 C CG2 . VAL A 1 139 ? -22.072 -20.005 -22.137 1.00 9.78  ? 145 VAL B CG2 1 
ATOM   1206 N N   . SER A 1 140 ? -20.443 -18.200 -18.006 1.00 8.90  ? 146 SER B N   1 
ATOM   1207 C CA  . SER A 1 140 ? -20.551 -17.790 -16.594 1.00 9.88  ? 146 SER B CA  1 
ATOM   1208 C C   . SER A 1 140 ? -21.020 -16.337 -16.500 1.00 9.13  ? 146 SER B C   1 
ATOM   1209 O O   . SER A 1 140 ? -20.711 -15.512 -17.333 1.00 10.61 ? 146 SER B O   1 
ATOM   1210 C CB  . SER A 1 140 ? -19.217 -17.962 -15.863 1.00 10.11 ? 146 SER B CB  1 
ATOM   1211 O OG  . SER A 1 140 ? -18.857 -19.340 -15.766 1.00 11.69 ? 146 SER B OG  1 
ATOM   1212 N N   . PHE A 1 141 ? -21.687 -16.075 -15.378 1.00 8.48  ? 147 PHE B N   1 
ATOM   1213 C CA  . PHE A 1 141 ? -22.302 -14.777 -15.066 1.00 9.19  ? 147 PHE B CA  1 
ATOM   1214 C C   . PHE A 1 141 ? -21.754 -14.308 -13.725 1.00 9.72  ? 147 PHE B C   1 
ATOM   1215 O O   . PHE A 1 141 ? -21.781 -15.091 -12.738 1.00 9.82  ? 147 PHE B O   1 
ATOM   1216 C CB  . PHE A 1 141 ? -23.844 -14.866 -15.044 1.00 9.18  ? 147 PHE B CB  1 
ATOM   1217 C CG  . PHE A 1 141 ? -24.431 -15.284 -16.368 1.00 9.02  ? 147 PHE B CG  1 
ATOM   1218 C CD1 . PHE A 1 141 ? -24.485 -16.618 -16.753 1.00 9.37  ? 147 PHE B CD1 1 
ATOM   1219 C CD2 . PHE A 1 141 ? -24.949 -14.320 -17.226 1.00 9.36  ? 147 PHE B CD2 1 
ATOM   1220 C CE1 . PHE A 1 141 ? -24.993 -16.963 -18.002 1.00 9.66  ? 147 PHE B CE1 1 
ATOM   1221 C CE2 . PHE A 1 141 ? -25.447 -14.680 -18.472 1.00 9.39  ? 147 PHE B CE2 1 
ATOM   1222 C CZ  . PHE A 1 141 ? -25.501 -16.003 -18.848 1.00 9.35  ? 147 PHE B CZ  1 
ATOM   1223 N N   . TYR A 1 142 ? -21.446 -13.019 -13.629 1.00 9.98  ? 148 TYR B N   1 
ATOM   1224 C CA  . TYR A 1 142 ? -20.779 -12.407 -12.454 1.00 11.25 ? 148 TYR B CA  1 
ATOM   1225 C C   . TYR A 1 142 ? -21.552 -11.167 -12.045 1.00 11.64 ? 148 TYR B C   1 
ATOM   1226 O O   . TYR A 1 142 ? -22.013 -10.339 -12.878 1.00 11.63 ? 148 TYR B O   1 
ATOM   1227 C CB  . TYR A 1 142 ? -19.320 -12.104 -12.763 1.00 11.81 ? 148 TYR B CB  1 
ATOM   1228 C CG  . TYR A 1 142 ? -18.507 -13.342 -13.028 1.00 12.35 ? 148 TYR B CG  1 
ATOM   1229 C CD1 . TYR A 1 142 ? -18.002 -14.123 -12.005 1.00 13.11 ? 148 TYR B CD1 1 
ATOM   1230 C CD2 . TYR A 1 142 ? -18.329 -13.799 -14.329 1.00 13.34 ? 148 TYR B CD2 1 
ATOM   1231 C CE1 . TYR A 1 142 ? -17.340 -15.320 -12.254 1.00 13.45 ? 148 TYR B CE1 1 
ATOM   1232 C CE2 . TYR A 1 142 ? -17.650 -14.971 -14.607 1.00 14.08 ? 148 TYR B CE2 1 
ATOM   1233 C CZ  . TYR A 1 142 ? -17.150 -15.730 -13.562 1.00 13.70 ? 148 TYR B CZ  1 
ATOM   1234 O OH  . TYR A 1 142 ? -16.486 -16.916 -13.820 1.00 16.28 ? 148 TYR B OH  1 
ATOM   1235 N N   . ASN A 1 143 ? -21.601 -10.928 -10.736 1.00 12.92 ? 149 ASN B N   1 
ATOM   1236 C CA  . ASN A 1 143 ? -22.306 -9.772  -10.110 1.00 12.94 ? 149 ASN B CA  1 
ATOM   1237 C C   . ASN A 1 143 ? -21.276 -8.657  -9.948  1.00 12.70 ? 149 ASN B C   1 
ATOM   1238 O O   . ASN A 1 143 ? -20.496 -8.665  -8.937  1.00 14.99 ? 149 ASN B O   1 
ATOM   1239 C CB  . ASN A 1 143 ? -22.927 -10.197 -8.785  1.00 13.38 ? 149 ASN B CB  1 
ATOM   1240 C CG  . ASN A 1 143 ? -23.760 -9.104  -8.131  1.00 13.16 ? 149 ASN B CG  1 
ATOM   1241 O OD1 . ASN A 1 143 ? -23.592 -7.934  -8.486  1.00 15.06 ? 149 ASN B OD1 1 
ATOM   1242 N ND2 . ASN A 1 143 ? -24.632 -9.494  -7.266  1.00 14.61 ? 149 ASN B ND2 1 
ATOM   1243 N N   . ILE A 1 144 ? -21.202 -7.674  -10.839 1.00 14.05 ? 150 ILE B N   1 
ATOM   1244 C CA  . ILE A 1 144 ? -20.130 -6.655  -10.781 1.00 14.88 ? 150 ILE B CA  1 
ATOM   1245 C C   . ILE A 1 144 ? -20.401 -5.754  -9.561  1.00 16.47 ? 150 ILE B C   1 
ATOM   1246 O O   . ILE A 1 144 ? -19.418 -5.262  -8.973  1.00 18.82 ? 150 ILE B O   1 
ATOM   1247 C CB  . ILE A 1 144 ? -20.081 -5.855  -12.093 1.00 15.98 ? 150 ILE B CB  1 
ATOM   1248 C CG1 . ILE A 1 144 ? -19.913 -6.773  -13.318 1.00 16.96 ? 150 ILE B CG1 1 
ATOM   1249 C CG2 . ILE A 1 144 ? -19.017 -4.756  -12.082 1.00 18.19 ? 150 ILE B CG2 1 
ATOM   1250 C CD1 . ILE A 1 144 ? -18.840 -7.809  -13.149 1.00 20.08 ? 150 ILE B CD1 1 
ATOM   1251 N N   . THR A 1 145 ? -21.640 -5.535  -9.183  1.00 15.82 ? 151 THR B N   1 
ATOM   1252 C CA  . THR A 1 145 ? -22.044 -4.679  -8.021  1.00 16.52 ? 151 THR B CA  1 
ATOM   1253 C C   . THR A 1 145 ? -21.454 -5.313  -6.756  1.00 18.85 ? 151 THR B C   1 
ATOM   1254 O O   . THR A 1 145 ? -21.020 -4.541  -5.849  1.00 22.76 ? 151 THR B O   1 
ATOM   1255 C CB  . THR A 1 145 ? -23.573 -4.549  -7.961  1.00 15.83 ? 151 THR B CB  1 
ATOM   1256 O OG1 . THR A 1 145 ? -24.025 -4.085  -9.227  1.00 15.96 ? 151 THR B OG1 1 
ATOM   1257 C CG2 . THR A 1 145 ? -23.995 -3.580  -6.873  1.00 17.18 ? 151 THR B CG2 1 
ATOM   1258 N N   . ASP A 1 146 ? -21.374 -6.638  -6.662  1.00 18.74 ? 152 ASP B N   1 
ATOM   1259 C CA  . ASP A 1 146 ? -20.836 -7.362  -5.479  1.00 19.29 ? 152 ASP B CA  1 
ATOM   1260 C C   . ASP A 1 146 ? -19.426 -7.906  -5.739  1.00 18.91 ? 152 ASP B C   1 
ATOM   1261 O O   . ASP A 1 146 ? -19.235 -9.119  -5.564  1.00 20.03 ? 152 ASP B O   1 
ATOM   1262 C CB  . ASP A 1 146 ? -21.844 -8.411  -5.085  1.00 19.36 ? 152 ASP B CB  1 
ATOM   1263 C CG  . ASP A 1 146 ? -21.473 -9.208  -3.857  1.00 23.38 ? 152 ASP B CG  1 
ATOM   1264 O OD1 . ASP A 1 146 ? -21.027 -8.575  -2.866  1.00 24.36 ? 152 ASP B OD1 1 
ATOM   1265 O OD2 . ASP A 1 146 ? -21.642 -10.435 -3.900  1.00 22.98 ? 152 ASP B OD2 1 
ATOM   1266 N N   . HIS A 1 147 ? -18.504 -7.078  -6.206  1.00 22.00 ? 153 HIS B N   1 
ATOM   1267 C CA  . HIS A 1 147 ? -17.057 -7.414  -6.282  1.00 25.11 ? 153 HIS B CA  1 
ATOM   1268 C C   . HIS A 1 147 ? -16.867 -8.610  -7.226  1.00 23.74 ? 153 HIS B C   1 
ATOM   1269 O O   . HIS A 1 147 ? -15.920 -9.369  -7.050  1.00 25.98 ? 153 HIS B O   1 
ATOM   1270 C CB  . HIS A 1 147 ? -16.448 -7.778  -4.913  1.00 30.46 ? 153 HIS B CB  1 
ATOM   1271 C CG  . HIS A 1 147 ? -16.686 -6.837  -3.772  1.00 38.77 ? 153 HIS B CG  1 
ATOM   1272 N ND1 . HIS A 1 147 ? -16.038 -5.619  -3.660  1.00 44.90 ? 153 HIS B ND1 1 
ATOM   1273 C CD2 . HIS A 1 147 ? -17.434 -6.975  -2.653  1.00 43.68 ? 153 HIS B CD2 1 
ATOM   1274 C CE1 . HIS A 1 147 ? -16.412 -5.024  -2.543  1.00 47.41 ? 153 HIS B CE1 1 
ATOM   1275 N NE2 . HIS A 1 147 ? -17.269 -5.838  -1.902  1.00 46.07 ? 153 HIS B NE2 1 
ATOM   1276 N N   . GLY A 1 148 ? -17.732 -8.783  -8.235  1.00 19.38 ? 154 GLY B N   1 
ATOM   1277 C CA  . GLY A 1 148 ? -17.531 -9.850  -9.237  1.00 17.06 ? 154 GLY B CA  1 
ATOM   1278 C C   . GLY A 1 148 ? -17.938 -11.220 -8.754  1.00 15.52 ? 154 GLY B C   1 
ATOM   1279 O O   . GLY A 1 148 ? -17.438 -12.157 -9.339  1.00 15.68 ? 154 GLY B O   1 
ATOM   1280 N N   . SER A 1 149 ? -18.772 -11.358 -7.751  1.00 14.12 ? 155 SER B N   1 
ATOM   1281 C CA  . SER A 1 149 ? -19.142 -12.687 -7.231  1.00 12.83 ? 155 SER B CA  1 
ATOM   1282 C C   . SER A 1 149 ? -19.843 -13.527 -8.309  1.00 13.25 ? 155 SER B C   1 
ATOM   1283 O O   . SER A 1 149 ? -20.635 -12.981 -9.138  1.00 13.16 ? 155 SER B O   1 
ATOM   1284 C CB  . SER A 1 149 ? -19.975 -12.568 -5.983  1.00 14.53 ? 155 SER B CB  1 
ATOM   1285 O OG  . SER A 1 149 ? -21.166 -11.820 -6.175  1.00 15.78 ? 155 SER B OG  1 
ATOM   1286 N N   . LEU A 1 150 ? -19.649 -14.817 -8.297  1.00 11.96 ? 156 LEU B N   1 
ATOM   1287 C CA  . LEU A 1 150 ? -20.287 -15.726 -9.280  1.00 11.38 ? 156 LEU B CA  1 
ATOM   1288 C C   . LEU A 1 150 ? -21.777 -15.773 -9.029  1.00 11.00 ? 156 LEU B C   1 
ATOM   1289 O O   . LEU A 1 150 ? -22.279 -15.975 -7.893  1.00 11.87 ? 156 LEU B O   1 
ATOM   1290 C CB  . LEU A 1 150 ? -19.691 -17.124 -9.122  1.00 11.91 ? 156 LEU B CB  1 
ATOM   1291 C CG  . LEU A 1 150 ? -20.248 -18.172 -10.091 1.00 11.58 ? 156 LEU B CG  1 
ATOM   1292 C CD1 . LEU A 1 150 ? -19.865 -17.883 -11.528 1.00 11.92 ? 156 LEU B CD1 1 
ATOM   1293 C CD2 . LEU A 1 150 ? -19.707 -19.566 -9.700  1.00 12.76 ? 156 LEU B CD2 1 
ATOM   1294 N N   . ILE A 1 151 ? -22.546 -15.651 -10.124 1.00 10.70 ? 157 ILE B N   1 
ATOM   1295 C CA  . ILE A 1 151 ? -23.996 -15.858 -10.149 1.00 10.41 ? 157 ILE B CA  1 
ATOM   1296 C C   . ILE A 1 151 ? -24.355 -17.268 -10.599 1.00 9.81  ? 157 ILE B C   1 
ATOM   1297 O O   . ILE A 1 151 ? -25.151 -17.965 -10.025 1.00 10.20 ? 157 ILE B O   1 
ATOM   1298 C CB  . ILE A 1 151 ? -24.686 -14.778 -11.027 1.00 10.71 ? 157 ILE B CB  1 
ATOM   1299 C CG1 . ILE A 1 151 ? -24.512 -13.390 -10.424 1.00 12.23 ? 157 ILE B CG1 1 
ATOM   1300 C CG2 . ILE A 1 151 ? -26.152 -15.106 -11.221 1.00 11.01 ? 157 ILE B CG2 1 
ATOM   1301 C CD1 . ILE A 1 151 ? -24.948 -12.267 -11.371 1.00 12.17 ? 157 ILE B CD1 1 
ATOM   1302 N N   . TYR A 1 152 ? -23.799 -17.684 -11.751 1.00 9.78  ? 158 TYR B N   1 
ATOM   1303 C CA  . TYR A 1 152 ? -24.176 -18.986 -12.355 1.00 9.81  ? 158 TYR B CA  1 
ATOM   1304 C C   . TYR A 1 152 ? -23.124 -19.380 -13.396 1.00 9.33  ? 158 TYR B C   1 
ATOM   1305 O O   . TYR A 1 152 ? -22.637 -18.523 -14.135 1.00 9.93  ? 158 TYR B O   1 
ATOM   1306 C CB  . TYR A 1 152 ? -25.569 -18.907 -13.051 1.00 9.46  ? 158 TYR B CB  1 
ATOM   1307 C CG  . TYR A 1 152 ? -26.097 -20.261 -13.395 1.00 9.35  ? 158 TYR B CG  1 
ATOM   1308 C CD1 . TYR A 1 152 ? -26.738 -21.057 -12.452 1.00 10.19 ? 158 TYR B CD1 1 
ATOM   1309 C CD2 . TYR A 1 152 ? -25.988 -20.764 -14.695 1.00 9.65  ? 158 TYR B CD2 1 
ATOM   1310 C CE1 . TYR A 1 152 ? -27.195 -22.320 -12.769 1.00 11.03 ? 158 TYR B CE1 1 
ATOM   1311 C CE2 . TYR A 1 152 ? -26.419 -22.025 -15.006 1.00 10.61 ? 158 TYR B CE2 1 
ATOM   1312 C CZ  . TYR A 1 152 ? -27.002 -22.815 -14.042 1.00 10.58 ? 158 TYR B CZ  1 
ATOM   1313 O OH  . TYR A 1 152 ? -27.413 -24.091 -14.338 1.00 13.16 ? 158 TYR B OH  1 
ATOM   1314 N N   . THR A 1 153 ? -22.861 -20.688 -13.492 1.00 9.42  ? 159 THR B N   1 
ATOM   1315 C CA  . THR A 1 153 ? -22.051 -21.306 -14.572 1.00 9.84  ? 159 THR B CA  1 
ATOM   1316 C C   . THR A 1 153 ? -22.821 -22.416 -15.245 1.00 9.24  ? 159 THR B C   1 
ATOM   1317 O O   . THR A 1 153 ? -23.207 -23.389 -14.620 1.00 10.53 ? 159 THR B O   1 
ATOM   1318 C CB  . THR A 1 153 ? -20.711 -21.840 -14.012 1.00 10.59 ? 159 THR B CB  1 
ATOM   1319 O OG1 . THR A 1 153 ? -19.951 -20.712 -13.600 1.00 11.14 ? 159 THR B OG1 1 
ATOM   1320 C CG2 . THR A 1 153 ? -19.950 -22.658 -15.052 1.00 12.07 ? 159 THR B CG2 1 
ATOM   1321 N N   . PHE A 1 154 ? -23.022 -22.244 -16.573 1.00 9.73  ? 160 PHE B N   1 
ATOM   1322 C CA  . PHE A 1 154 ? -23.392 -23.354 -17.481 1.00 10.02 ? 160 PHE B CA  1 
ATOM   1323 C C   . PHE A 1 154 ? -22.077 -24.024 -17.916 1.00 10.22 ? 160 PHE B C   1 
ATOM   1324 O O   . PHE A 1 154 ? -21.204 -23.389 -18.443 1.00 10.95 ? 160 PHE B O   1 
ATOM   1325 C CB  . PHE A 1 154 ? -24.071 -22.868 -18.761 1.00 10.27 ? 160 PHE B CB  1 
ATOM   1326 C CG  . PHE A 1 154 ? -25.448 -22.241 -18.596 1.00 8.97  ? 160 PHE B CG  1 
ATOM   1327 C CD1 . PHE A 1 154 ? -25.615 -20.892 -18.329 1.00 8.87  ? 160 PHE B CD1 1 
ATOM   1328 C CD2 . PHE A 1 154 ? -26.570 -23.009 -18.762 1.00 9.60  ? 160 PHE B CD2 1 
ATOM   1329 C CE1 . PHE A 1 154 ? -26.897 -20.341 -18.257 1.00 9.47  ? 160 PHE B CE1 1 
ATOM   1330 C CE2 . PHE A 1 154 ? -27.858 -22.454 -18.676 1.00 10.04 ? 160 PHE B CE2 1 
ATOM   1331 C CZ  . PHE A 1 154 ? -28.004 -21.106 -18.430 1.00 9.29  ? 160 PHE B CZ  1 
ATOM   1332 N N   . SER A 1 155 ? -21.987 -25.328 -17.630 1.00 11.95 ? 161 SER B N   1 
ATOM   1333 C CA  . SER A 1 155 ? -20.814 -26.104 -18.090 1.00 13.35 ? 161 SER B CA  1 
ATOM   1334 C C   . SER A 1 155 ? -21.316 -27.246 -18.939 1.00 13.39 ? 161 SER B C   1 
ATOM   1335 O O   . SER A 1 155 ? -22.506 -27.510 -19.033 1.00 15.33 ? 161 SER B O   1 
ATOM   1336 C CB  . SER A 1 155 ? -20.003 -26.526 -16.909 1.00 14.55 ? 161 SER B CB  1 
ATOM   1337 O OG  . SER A 1 155 ? -20.670 -27.494 -16.158 1.00 18.88 ? 161 SER B OG  1 
ATOM   1338 N N   . GLU A 1 156 ? -20.375 -27.909 -19.628 1.00 16.10 ? 162 GLU B N   1 
ATOM   1339 C CA  . GLU A 1 156 ? -20.720 -28.981 -20.607 1.00 17.76 ? 162 GLU B CA  1 
ATOM   1340 C C   . GLU A 1 156 ? -21.670 -28.425 -21.663 1.00 15.37 ? 162 GLU B C   1 
ATOM   1341 O O   . GLU A 1 156 ? -22.600 -29.161 -22.129 1.00 17.26 ? 162 GLU B O   1 
ATOM   1342 C CB  . GLU A 1 156 ? -21.378 -30.190 -19.931 1.00 20.98 ? 162 GLU B CB  1 
ATOM   1343 C CG  . GLU A 1 156 ? -20.694 -30.702 -18.678 1.00 25.85 ? 162 GLU B CG  1 
ATOM   1344 C CD  . GLU A 1 156 ? -21.364 -31.999 -18.278 1.00 35.54 ? 162 GLU B CD  1 
ATOM   1345 O OE1 . GLU A 1 156 ? -22.415 -31.947 -17.586 1.00 38.67 ? 162 GLU B OE1 1 
ATOM   1346 O OE2 . GLU A 1 156 ? -20.913 -33.046 -18.765 1.00 42.19 ? 162 GLU B OE2 1 
ATOM   1347 N N   . CYS A 1 157 ? -21.472 -27.165 -22.041 1.00 14.52 ? 163 CYS B N   1 
ATOM   1348 C CA  . CYS A 1 157 ? -22.352 -26.569 -23.059 1.00 13.57 ? 163 CYS B CA  1 
ATOM   1349 C C   . CYS A 1 157 ? -22.104 -27.226 -24.418 1.00 14.34 ? 163 CYS B C   1 
ATOM   1350 O O   . CYS A 1 157 ? -20.897 -27.430 -24.764 1.00 16.69 ? 163 CYS B O   1 
ATOM   1351 C CB  . CYS A 1 157 ? -22.148 -25.056 -23.195 1.00 12.17 ? 163 CYS B CB  1 
ATOM   1352 S SG  . CYS A 1 157 ? -22.577 -24.122 -21.704 1.00 12.41 ? 163 CYS B SG  1 
ATOM   1353 N N   . VAL A 1 158 ? -23.161 -27.420 -25.163 1.00 14.18 ? 164 VAL B N   1 
ATOM   1354 C CA  . VAL A 1 158 ? -23.036 -27.977 -26.531 1.00 14.67 ? 164 VAL B CA  1 
ATOM   1355 C C   . VAL A 1 158 ? -23.505 -26.841 -27.442 1.00 13.16 ? 164 VAL B C   1 
ATOM   1356 O O   . VAL A 1 158 ? -24.692 -26.745 -27.775 1.00 16.05 ? 164 VAL B O   1 
ATOM   1357 C CB  . VAL A 1 158 ? -23.753 -29.356 -26.635 1.00 16.73 ? 164 VAL B CB  1 
ATOM   1358 C CG1 . VAL A 1 158 ? -23.672 -29.843 -28.089 1.00 17.35 ? 164 VAL B CG1 1 
ATOM   1359 C CG2 . VAL A 1 158 ? -23.180 -30.406 -25.674 1.00 18.52 ? 164 VAL B CG2 1 
ATOM   1360 N N   . PHE A 1 159 ? -22.627 -25.894 -27.767 1.00 12.62 ? 165 PHE B N   1 
ATOM   1361 C CA  . PHE A 1 159 ? -22.951 -24.664 -28.498 1.00 12.69 ? 165 PHE B CA  1 
ATOM   1362 C C   . PHE A 1 159 ? -23.512 -25.028 -29.863 1.00 13.55 ? 165 PHE B C   1 
ATOM   1363 O O   . PHE A 1 159 ? -24.528 -24.432 -30.296 1.00 15.36 ? 165 PHE B O   1 
ATOM   1364 C CB  . PHE A 1 159 ? -21.774 -23.709 -28.551 1.00 12.09 ? 165 PHE B CB  1 
ATOM   1365 C CG  . PHE A 1 159 ? -21.328 -23.187 -27.196 1.00 11.62 ? 165 PHE B CG  1 
ATOM   1366 C CD1 . PHE A 1 159 ? -22.265 -22.669 -26.278 1.00 11.35 ? 165 PHE B CD1 1 
ATOM   1367 C CD2 . PHE A 1 159 ? -20.000 -23.198 -26.816 1.00 12.52 ? 165 PHE B CD2 1 
ATOM   1368 C CE1 . PHE A 1 159 ? -21.859 -22.206 -25.017 1.00 11.48 ? 165 PHE B CE1 1 
ATOM   1369 C CE2 . PHE A 1 159 ? -19.595 -22.736 -25.563 1.00 12.50 ? 165 PHE B CE2 1 
ATOM   1370 C CZ  . PHE A 1 159 ? -20.524 -22.196 -24.683 1.00 12.23 ? 165 PHE B CZ  1 
ATOM   1371 N N   . ALA A 1 160 ? -22.810 -25.905 -30.618 1.00 13.11 ? 166 ALA B N   1 
ATOM   1372 C CA  . ALA A 1 160 ? -23.282 -26.477 -31.899 1.00 13.83 ? 166 ALA B CA  1 
ATOM   1373 C C   . ALA A 1 160 ? -23.424 -25.416 -32.957 1.00 13.44 ? 166 ALA B C   1 
ATOM   1374 O O   . ALA A 1 160 ? -24.246 -25.628 -33.919 1.00 15.25 ? 166 ALA B O   1 
ATOM   1375 C CB  . ALA A 1 160 ? -24.521 -27.256 -31.699 1.00 14.45 ? 166 ALA B CB  1 
ATOM   1376 N N   . GLY A 1 161 ? -22.642 -24.384 -32.911 1.00 13.92 ? 167 GLY B N   1 
ATOM   1377 C CA  . GLY A 1 161 ? -22.681 -23.287 -33.883 1.00 14.93 ? 167 GLY B CA  1 
ATOM   1378 C C   . GLY A 1 161 ? -21.960 -22.048 -33.400 1.00 12.95 ? 167 GLY B C   1 
ATOM   1379 O O   . GLY A 1 161 ? -21.544 -22.016 -32.203 1.00 13.06 ? 167 GLY B O   1 
ATOM   1380 N N   . PRO A 1 162 ? -21.832 -21.026 -34.229 1.00 11.97 ? 168 PRO B N   1 
ATOM   1381 C CA  . PRO A 1 162 ? -21.376 -19.727 -33.766 1.00 12.23 ? 168 PRO B CA  1 
ATOM   1382 C C   . PRO A 1 162 ? -22.336 -19.155 -32.702 1.00 11.66 ? 168 PRO B C   1 
ATOM   1383 O O   . PRO A 1 162 ? -23.536 -19.397 -32.781 1.00 11.92 ? 168 PRO B O   1 
ATOM   1384 C CB  . PRO A 1 162 ? -21.375 -18.819 -35.009 1.00 12.95 ? 168 PRO B CB  1 
ATOM   1385 C CG  . PRO A 1 162 ? -21.492 -19.825 -36.179 1.00 13.37 ? 168 PRO B CG  1 
ATOM   1386 C CD  . PRO A 1 162 ? -22.264 -20.966 -35.642 1.00 12.51 ? 168 PRO B CD  1 
ATOM   1387 N N   . LEU A 1 163 ? -21.762 -18.389 -31.792 1.00 11.42 ? 169 LEU B N   1 
ATOM   1388 C CA  . LEU A 1 163 ? -22.525 -17.728 -30.682 1.00 10.90 ? 169 LEU B CA  1 
ATOM   1389 C C   . LEU A 1 163 ? -22.642 -16.245 -30.952 1.00 11.33 ? 169 LEU B C   1 
ATOM   1390 O O   . LEU A 1 163 ? -21.723 -15.609 -31.439 1.00 12.88 ? 169 LEU B O   1 
ATOM   1391 C CB  . LEU A 1 163 ? -21.839 -17.967 -29.334 1.00 11.99 ? 169 LEU B CB  1 
ATOM   1392 C CG  . LEU A 1 163 ? -21.861 -19.397 -28.802 1.00 13.41 ? 169 LEU B CG  1 
ATOM   1393 C CD1 . LEU A 1 163 ? -21.025 -19.462 -27.544 1.00 12.99 ? 169 LEU B CD1 1 
ATOM   1394 C CD2 . LEU A 1 163 ? -23.286 -19.893 -28.575 1.00 13.67 ? 169 LEU B CD2 1 
ATOM   1395 N N   . ARG A 1 164 ? -23.770 -15.676 -30.519 1.00 10.25 ? 170 ARG B N   1 
ATOM   1396 C CA  . ARG A 1 164 ? -24.004 -14.230 -30.508 1.00 10.56 ? 170 ARG B CA  1 
ATOM   1397 C C   . ARG A 1 164 ? -24.408 -13.756 -29.111 1.00 9.02  ? 170 ARG B C   1 
ATOM   1398 O O   . ARG A 1 164 ? -25.180 -14.429 -28.439 1.00 9.63  ? 170 ARG B O   1 
ATOM   1399 C CB  . ARG A 1 164 ? -25.077 -13.856 -31.529 1.00 11.75 ? 170 ARG B CB  1 
ATOM   1400 C CG  . ARG A 1 164 ? -24.609 -14.233 -32.947 1.00 14.88 ? 170 ARG B CG  1 
ATOM   1401 C CD  . ARG A 1 164 ? -25.538 -13.856 -34.072 1.00 15.87 ? 170 ARG B CD  1 
ATOM   1402 N NE  . ARG A 1 164 ? -25.563 -12.423 -34.178 1.00 16.06 ? 170 ARG B NE  1 
ATOM   1403 C CZ  . ARG A 1 164 ? -26.253 -11.804 -35.121 1.00 16.64 ? 170 ARG B CZ  1 
ATOM   1404 N NH1 . ARG A 1 164 ? -26.845 -12.503 -36.060 1.00 17.08 ? 170 ARG B NH1 1 
ATOM   1405 N NH2 . ARG A 1 164 ? -26.290 -10.500 -35.136 1.00 14.95 ? 170 ARG B NH2 1 
ATOM   1406 N N   . PRO A 1 165 ? -23.961 -12.561 -28.700 1.00 8.76  ? 171 PRO B N   1 
ATOM   1407 C CA  . PRO A 1 165 ? -24.511 -11.962 -27.469 1.00 9.00  ? 171 PRO B CA  1 
ATOM   1408 C C   . PRO A 1 165 ? -26.035 -11.784 -27.622 1.00 8.93  ? 171 PRO B C   1 
ATOM   1409 O O   . PRO A 1 165 ? -26.529 -11.459 -28.685 1.00 9.47  ? 171 PRO B O   1 
ATOM   1410 C CB  . PRO A 1 165 ? -23.805 -10.611 -27.365 1.00 9.63  ? 171 PRO B CB  1 
ATOM   1411 C CG  . PRO A 1 165 ? -22.514 -10.802 -28.202 1.00 11.09 ? 171 PRO B CG  1 
ATOM   1412 C CD  . PRO A 1 165 ? -22.955 -11.694 -29.329 1.00 10.94 ? 171 PRO B CD  1 
ATOM   1413 N N   . PHE A 1 166 ? -26.747 -12.067 -26.537 1.00 8.21  ? 172 PHE B N   1 
ATOM   1414 C CA  . PHE A 1 166 ? -28.213 -12.095 -26.518 1.00 8.73  ? 172 PHE B CA  1 
ATOM   1415 C C   . PHE A 1 166 ? -28.735 -11.159 -25.420 1.00 8.20  ? 172 PHE B C   1 
ATOM   1416 O O   . PHE A 1 166 ? -28.245 -11.153 -24.277 1.00 8.56  ? 172 PHE B O   1 
ATOM   1417 C CB  . PHE A 1 166 ? -28.710 -13.515 -26.246 1.00 9.20  ? 172 PHE B CB  1 
ATOM   1418 C CG  . PHE A 1 166 ? -30.203 -13.624 -26.061 1.00 9.08  ? 172 PHE B CG  1 
ATOM   1419 C CD1 . PHE A 1 166 ? -31.041 -13.633 -27.168 1.00 10.16 ? 172 PHE B CD1 1 
ATOM   1420 C CD2 . PHE A 1 166 ? -30.773 -13.689 -24.804 1.00 10.11 ? 172 PHE B CD2 1 
ATOM   1421 C CE1 . PHE A 1 166 ? -32.413 -13.681 -27.007 1.00 10.59 ? 172 PHE B CE1 1 
ATOM   1422 C CE2 . PHE A 1 166 ? -32.154 -13.700 -24.672 1.00 10.39 ? 172 PHE B CE2 1 
ATOM   1423 C CZ  . PHE A 1 166 ? -32.961 -13.707 -25.769 1.00 11.00 ? 172 PHE B CZ  1 
ATOM   1424 N N   . PHE A 1 167 ? -29.808 -10.424 -25.750 1.00 8.17  ? 173 PHE B N   1 
ATOM   1425 C CA  . PHE A 1 167 ? -30.414 -9.407  -24.854 1.00 8.49  ? 173 PHE B CA  1 
ATOM   1426 C C   . PHE A 1 167 ? -31.940 -9.448  -24.967 1.00 8.99  ? 173 PHE B C   1 
ATOM   1427 O O   . PHE A 1 167 ? -32.462 -9.516  -26.109 1.00 9.43  ? 173 PHE B O   1 
ATOM   1428 C CB  . PHE A 1 167 ? -29.955 -7.995  -25.247 1.00 9.14  ? 173 PHE B CB  1 
ATOM   1429 C CG  . PHE A 1 167 ? -28.452 -7.843  -25.365 1.00 9.07  ? 173 PHE B CG  1 
ATOM   1430 C CD1 . PHE A 1 167 ? -27.798 -8.124  -26.553 1.00 9.07  ? 173 PHE B CD1 1 
ATOM   1431 C CD2 . PHE A 1 167 ? -27.691 -7.368  -24.300 1.00 10.40 ? 173 PHE B CD2 1 
ATOM   1432 C CE1 . PHE A 1 167 ? -26.416 -8.063  -26.645 1.00 9.78  ? 173 PHE B CE1 1 
ATOM   1433 C CE2 . PHE A 1 167 ? -26.307 -7.257  -24.413 1.00 10.87 ? 173 PHE B CE2 1 
ATOM   1434 C CZ  . PHE A 1 167 ? -25.689 -7.577  -25.596 1.00 10.49 ? 173 PHE B CZ  1 
ATOM   1435 N N   . ASN A 1 168 ? -32.627 -9.268  -23.849 1.00 8.83  ? 174 ASN B N   1 
ATOM   1436 C CA  . ASN A 1 168 ? -34.078 -9.019  -23.810 1.00 8.49  ? 174 ASN B CA  1 
ATOM   1437 C C   . ASN A 1 168 ? -34.273 -7.883  -22.828 1.00 8.33  ? 174 ASN B C   1 
ATOM   1438 O O   . ASN A 1 168 ? -33.976 -8.039  -21.633 1.00 8.68  ? 174 ASN B O   1 
ATOM   1439 C CB  . ASN A 1 168 ? -34.843 -10.261 -23.397 1.00 8.95  ? 174 ASN B CB  1 
ATOM   1440 C CG  . ASN A 1 168 ? -36.347 -10.083 -23.495 1.00 10.17 ? 174 ASN B CG  1 
ATOM   1441 O OD1 . ASN A 1 168 ? -36.874 -9.011  -23.779 1.00 11.11 ? 174 ASN B OD1 1 
ATOM   1442 N ND2 . ASN A 1 168 ? -37.096 -11.142 -23.256 1.00 11.76 ? 174 ASN B ND2 1 
ATOM   1443 N N   . VAL A 1 169 ? -34.806 -6.740  -23.289 1.00 8.61  ? 175 VAL B N   1 
ATOM   1444 C CA  . VAL A 1 169 ? -35.086 -5.594  -22.389 1.00 9.45  ? 175 VAL B CA  1 
ATOM   1445 C C   . VAL A 1 169 ? -36.347 -5.823  -21.566 1.00 8.89  ? 175 VAL B C   1 
ATOM   1446 O O   . VAL A 1 169 ? -36.572 -5.019  -20.649 1.00 10.19 ? 175 VAL B O   1 
ATOM   1447 C CB  . VAL A 1 169 ? -35.174 -4.246  -23.142 1.00 9.60  ? 175 VAL B CB  1 
ATOM   1448 C CG1 . VAL A 1 169 ? -33.881 -3.891  -23.847 1.00 10.89 ? 175 VAL B CG1 1 
ATOM   1449 C CG2 . VAL A 1 169 ? -36.325 -4.217  -24.134 1.00 10.17 ? 175 VAL B CG2 1 
ATOM   1450 N N   . GLY A 1 170 ? -37.151 -6.814  -21.909 1.00 9.57  ? 176 GLY B N   1 
ATOM   1451 C CA  . GLY A 1 170 ? -38.436 -7.064  -21.229 1.00 9.89  ? 176 GLY B CA  1 
ATOM   1452 C C   . GLY A 1 170 ? -39.527 -6.111  -21.647 1.00 9.54  ? 176 GLY B C   1 
ATOM   1453 O O   . GLY A 1 170 ? -39.307 -5.076  -22.233 1.00 9.72  ? 176 GLY B O   1 
ATOM   1454 N N   . PHE A 1 171 ? -40.749 -6.574  -21.435 1.00 10.82 ? 177 PHE B N   1 
ATOM   1455 C CA  . PHE A 1 171 ? -41.950 -5.731  -21.610 1.00 10.27 ? 177 PHE B CA  1 
ATOM   1456 C C   . PHE A 1 171 ? -41.998 -4.639  -20.542 1.00 10.02 ? 177 PHE B C   1 
ATOM   1457 O O   . PHE A 1 171 ? -41.296 -4.684  -19.545 1.00 10.22 ? 177 PHE B O   1 
ATOM   1458 C CB  . PHE A 1 171 ? -43.230 -6.580  -21.644 1.00 11.61 ? 177 PHE B CB  1 
ATOM   1459 C CG  . PHE A 1 171 ? -43.358 -7.462  -22.867 1.00 12.16 ? 177 PHE B CG  1 
ATOM   1460 C CD1 . PHE A 1 171 ? -43.729 -6.922  -24.076 1.00 14.71 ? 177 PHE B CD1 1 
ATOM   1461 C CD2 . PHE A 1 171 ? -43.087 -8.816  -22.818 1.00 13.86 ? 177 PHE B CD2 1 
ATOM   1462 C CE1 . PHE A 1 171 ? -43.823 -7.721  -25.220 1.00 15.58 ? 177 PHE B CE1 1 
ATOM   1463 C CE2 . PHE A 1 171 ? -43.217 -9.605  -23.964 1.00 15.30 ? 177 PHE B CE2 1 
ATOM   1464 C CZ  . PHE A 1 171 ? -43.593 -9.051  -25.129 1.00 15.61 ? 177 PHE B CZ  1 
ATOM   1465 N N   . ASN A 1 172 ? -42.869 -3.671  -20.773 1.00 10.51 ? 178 ASN B N   1 
ATOM   1466 C CA  . ASN A 1 172 ? -43.060 -2.577  -19.799 1.00 9.88  ? 178 ASN B CA  1 
ATOM   1467 C C   . ASN A 1 172 ? -44.571 -2.423  -19.579 1.00 10.03 ? 178 ASN B C   1 
ATOM   1468 O O   . ASN A 1 172 ? -45.100 -1.286  -19.618 1.00 11.93 ? 178 ASN B O   1 
ATOM   1469 C CB  . ASN A 1 172 ? -42.389 -1.298  -20.271 1.00 10.62 ? 178 ASN B CB  1 
ATOM   1470 C CG  . ASN A 1 172 ? -42.430 -0.214  -19.238 1.00 10.28 ? 178 ASN B CG  1 
ATOM   1471 O OD1 . ASN A 1 172 ? -42.490 -0.465  -18.049 1.00 10.67 ? 178 ASN B OD1 1 
ATOM   1472 N ND2 . ASN A 1 172 ? -42.370 1.016   -19.709 1.00 12.47 ? 178 ASN B ND2 1 
ATOM   1473 N N   . TYR A 1 173 ? -45.255 -3.468  -19.234 1.00 10.84 ? 179 TYR B N   1 
ATOM   1474 C CA  . TYR A 1 173 ? -46.689 -3.396  -18.836 1.00 10.85 ? 179 TYR B CA  1 
ATOM   1475 C C   . TYR A 1 173 ? -46.829 -2.594  -17.550 1.00 11.37 ? 179 TYR B C   1 
ATOM   1476 O O   . TYR A 1 173 ? -47.920 -1.935  -17.337 1.00 12.15 ? 179 TYR B O   1 
ATOM   1477 C CB  . TYR A 1 173 ? -47.279 -4.803  -18.644 1.00 11.51 ? 179 TYR B CB  1 
ATOM   1478 C CG  . TYR A 1 173 ? -47.379 -5.642  -19.892 1.00 13.56 ? 179 TYR B CG  1 
ATOM   1479 C CD1 . TYR A 1 173 ? -48.381 -5.427  -20.836 1.00 17.10 ? 179 TYR B CD1 1 
ATOM   1480 C CD2 . TYR A 1 173 ? -46.527 -6.723  -20.063 1.00 15.45 ? 179 TYR B CD2 1 
ATOM   1481 C CE1 . TYR A 1 173 ? -48.437 -6.192  -21.998 1.00 17.50 ? 179 TYR B CE1 1 
ATOM   1482 C CE2 . TYR A 1 173 ? -46.590 -7.499  -21.228 1.00 16.07 ? 179 TYR B CE2 1 
ATOM   1483 C CZ  . TYR A 1 173 ? -47.537 -7.217  -22.175 1.00 18.34 ? 179 TYR B CZ  1 
ATOM   1484 O OH  . TYR A 1 173 ? -47.655 -7.983  -23.321 1.00 23.96 ? 179 TYR B OH  1 
ATOM   1485 N N   . SER A 1 174 ? -45.888 -2.620  -16.624 1.00 10.67 ? 180 SER B N   1 
ATOM   1486 C CA  . SER A 1 174 ? -46.002 -2.010  -15.285 1.00 12.04 ? 180 SER B CA  1 
ATOM   1487 C C   . SER A 1 174 ? -45.712 -0.503  -15.305 1.00 11.97 ? 180 SER B C   1 
ATOM   1488 O O   . SER A 1 174 ? -46.014 0.204   -14.317 1.00 13.60 ? 180 SER B O   1 
ATOM   1489 C CB  . SER A 1 174 ? -45.056 -2.645  -14.325 1.00 12.44 ? 180 SER B CB  1 
ATOM   1490 O OG  . SER A 1 174 ? -43.704 -2.361  -14.761 1.00 12.39 ? 180 SER B OG  1 
ATOM   1491 N N   . GLY A 1 175 ? -45.061 -0.000  -16.340 1.00 10.79 ? 181 GLY B N   1 
ATOM   1492 C CA  . GLY A 1 175 ? -44.519 1.361   -16.313 1.00 11.57 ? 181 GLY B CA  1 
ATOM   1493 C C   . GLY A 1 175 ? -43.266 1.479   -15.488 1.00 11.89 ? 181 GLY B C   1 
ATOM   1494 O O   . GLY A 1 175 ? -42.759 2.611   -15.367 1.00 14.53 ? 181 GLY B O   1 
ATOM   1495 N N   . GLY A 1 176 ? -42.740 0.404   -14.908 1.00 11.01 ? 182 GLY B N   1 
ATOM   1496 C CA  . GLY A 1 176 ? -41.520 0.452   -14.095 1.00 11.48 ? 182 GLY B CA  1 
ATOM   1497 C C   . GLY A 1 176 ? -40.315 -0.199  -14.787 1.00 11.16 ? 182 GLY B C   1 
ATOM   1498 O O   . GLY A 1 176 ? -39.265 -0.303  -14.136 1.00 13.25 ? 182 GLY B O   1 
ATOM   1499 N N   . ASN A 1 177 ? -40.420 -0.578  -16.039 1.00 9.75  ? 183 ASN B N   1 
ATOM   1500 C CA  . ASN A 1 177 ? -39.345 -1.315  -16.741 1.00 9.57  ? 183 ASN B CA  1 
ATOM   1501 C C   . ASN A 1 177 ? -38.899 -0.599  -18.014 1.00 10.10 ? 183 ASN B C   1 
ATOM   1502 O O   . ASN A 1 177 ? -38.346 -1.268  -18.875 1.00 11.21 ? 183 ASN B O   1 
ATOM   1503 C CB  . ASN A 1 177 ? -39.749 -2.762  -17.048 1.00 9.48  ? 183 ASN B CB  1 
ATOM   1504 C CG  . ASN A 1 177 ? -38.535 -3.639  -17.330 1.00 9.51  ? 183 ASN B CG  1 
ATOM   1505 O OD1 . ASN A 1 177 ? -37.476 -3.440  -16.714 1.00 10.38 ? 183 ASN B OD1 1 
ATOM   1506 N ND2 . ASN A 1 177 ? -38.680 -4.546  -18.285 1.00 9.10  ? 183 ASN B ND2 1 
ATOM   1507 N N   . ALA A 1 178 ? -38.978 0.725   -18.085 1.00 10.15 ? 184 ALA B N   1 
ATOM   1508 C CA  . ALA A 1 178 ? -38.602 1.452   -19.313 1.00 11.30 ? 184 ALA B CA  1 
ATOM   1509 C C   . ALA A 1 178 ? -37.081 1.586   -19.466 1.00 11.09 ? 184 ALA B C   1 
ATOM   1510 O O   . ALA A 1 178 ? -36.638 1.871   -20.564 1.00 12.56 ? 184 ALA B O   1 
ATOM   1511 C CB  . ALA A 1 178 ? -39.257 2.852   -19.299 1.00 12.89 ? 184 ALA B CB  1 
ATOM   1512 N N   . ALA A 1 179 ? -36.335 1.439   -18.392 1.00 10.43 ? 185 ALA B N   1 
ATOM   1513 C CA  . ALA A 1 179 ? -34.876 1.720   -18.446 1.00 11.01 ? 185 ALA B CA  1 
ATOM   1514 C C   . ALA A 1 179 ? -34.176 0.838   -19.487 1.00 10.57 ? 185 ALA B C   1 
ATOM   1515 O O   . ALA A 1 179 ? -34.559 -0.310  -19.755 1.00 10.54 ? 185 ALA B O   1 
ATOM   1516 C CB  . ALA A 1 179 ? -34.236 1.580   -17.089 1.00 11.66 ? 185 ALA B CB  1 
ATOM   1517 N N   . PRO A 1 180 ? -33.097 1.350   -20.092 1.00 10.75 ? 186 PRO B N   1 
ATOM   1518 C CA  . PRO A 1 180 ? -32.350 0.578   -21.096 1.00 10.92 ? 186 PRO B CA  1 
ATOM   1519 C C   . PRO A 1 180 ? -31.419 -0.523  -20.518 1.00 10.08 ? 186 PRO B C   1 
ATOM   1520 O O   . PRO A 1 180 ? -31.071 -0.481  -19.350 1.00 11.22 ? 186 PRO B O   1 
ATOM   1521 C CB  . PRO A 1 180 ? -31.451 1.656   -21.752 1.00 11.69 ? 186 PRO B CB  1 
ATOM   1522 C CG  . PRO A 1 180 ? -31.206 2.644   -20.639 1.00 13.78 ? 186 PRO B CG  1 
ATOM   1523 C CD  . PRO A 1 180 ? -32.539 2.699   -19.903 1.00 12.48 ? 186 PRO B CD  1 
ATOM   1524 N N   . LEU A 1 181 ? -31.058 -1.470  -21.364 1.00 9.82  ? 187 LEU B N   1 
ATOM   1525 C CA  . LEU A 1 181 ? -29.807 -2.239  -21.187 1.00 10.03 ? 187 LEU B CA  1 
ATOM   1526 C C   . LEU A 1 181 ? -28.683 -1.430  -21.803 1.00 10.28 ? 187 LEU B C   1 
ATOM   1527 O O   . LEU A 1 181 ? -28.842 -0.950  -22.947 1.00 12.40 ? 187 LEU B O   1 
ATOM   1528 C CB  . LEU A 1 181 ? -29.937 -3.594  -21.846 1.00 10.12 ? 187 LEU B CB  1 
ATOM   1529 C CG  . LEU A 1 181 ? -30.950 -4.543  -21.201 1.00 11.02 ? 187 LEU B CG  1 
ATOM   1530 C CD1 . LEU A 1 181 ? -31.133 -5.821  -22.013 1.00 11.57 ? 187 LEU B CD1 1 
ATOM   1531 C CD2 . LEU A 1 181 ? -30.625 -4.909  -19.768 1.00 12.23 ? 187 LEU B CD2 1 
ATOM   1532 N N   . LYS A 1 182 ? -27.529 -1.370  -21.146 1.00 10.43 ? 188 LYS B N   1 
ATOM   1533 C CA  . LYS A 1 182 ? -26.384 -0.610  -21.693 1.00 11.41 ? 188 LYS B CA  1 
ATOM   1534 C C   . LYS A 1 182 ? -25.145 -1.490  -21.649 1.00 11.47 ? 188 LYS B C   1 
ATOM   1535 O O   . LYS A 1 182 ? -24.801 -2.028  -20.577 1.00 12.25 ? 188 LYS B O   1 
ATOM   1536 C CB  . LYS A 1 182 ? -26.104 0.692   -20.926 1.00 13.40 ? 188 LYS B CB  1 
ATOM   1537 C CG  . LYS A 1 182 ? -27.271 1.635   -20.714 1.00 15.33 ? 188 LYS B CG  1 
ATOM   1538 C CD  . LYS A 1 182 ? -26.838 2.944   -20.053 1.00 19.35 ? 188 LYS B CD  1 
ATOM   1539 C CE  . LYS A 1 182 ? -27.962 3.830   -19.593 1.00 22.74 ? 188 LYS B CE  1 
ATOM   1540 N NZ  . LYS A 1 182 ? -27.390 5.004   -18.879 1.00 28.48 ? 188 LYS B NZ  1 
ATOM   1541 N N   . LEU A 1 183 ? -24.410 -1.546  -22.720 1.00 11.08 ? 189 LEU B N   1 
ATOM   1542 C CA  . LEU A 1 183 ? -23.078 -2.215  -22.721 1.00 11.30 ? 189 LEU B CA  1 
ATOM   1543 C C   . LEU A 1 183 ? -22.087 -1.276  -22.050 1.00 12.79 ? 189 LEU B C   1 
ATOM   1544 O O   . LEU A 1 183 ? -21.909 -0.114  -22.545 1.00 16.15 ? 189 LEU B O   1 
ATOM   1545 C CB  . LEU A 1 183 ? -22.692 -2.560  -24.161 1.00 12.46 ? 189 LEU B CB  1 
ATOM   1546 C CG  . LEU A 1 183 ? -23.395 -3.823  -24.663 1.00 13.57 ? 189 LEU B CG  1 
ATOM   1547 C CD1 . LEU A 1 183 ? -23.615 -3.888  -26.158 1.00 17.20 ? 189 LEU B CD1 1 
ATOM   1548 C CD2 . LEU A 1 183 ? -22.754 -5.098  -24.090 1.00 12.13 ? 189 LEU B CD2 1 
ATOM   1549 N N   . CYS A 1 184 ? -21.443 -1.745  -20.997 1.00 13.81 ? 190 CYS B N   1 
ATOM   1550 C CA  . CYS A 1 184 ? -20.511 -0.915  -20.184 1.00 15.97 ? 190 CYS B CA  1 
ATOM   1551 C C   . CYS A 1 184 ? -19.152 -0.815  -20.837 1.00 17.03 ? 190 CYS B C   1 
ATOM   1552 O O   . CYS A 1 184 ? -18.648 -1.741  -21.449 1.00 17.64 ? 190 CYS B O   1 
ATOM   1553 C CB  . CYS A 1 184 ? -20.247 -1.589  -18.860 1.00 17.00 ? 190 CYS B CB  1 
ATOM   1554 S SG  . CYS A 1 184 ? -21.719 -2.019  -17.935 1.00 19.76 ? 190 CYS B SG  1 
ATOM   1555 N N   . PRO A 1 185 ? -18.471 0.344   -20.666 1.00 22.23 ? 191 PRO B N   1 
ATOM   1556 C CA  . PRO A 1 185 ? -17.128 0.513   -21.191 1.00 25.32 ? 191 PRO B CA  1 
ATOM   1557 C C   . PRO A 1 185 ? -16.156 -0.434  -20.484 1.00 24.90 ? 191 PRO B C   1 
ATOM   1558 O O   . PRO A 1 185 ? -16.304 -0.681  -19.308 1.00 26.03 ? 191 PRO B O   1 
ATOM   1559 C CB  . PRO A 1 185 ? -16.856 2.010   -20.939 1.00 25.98 ? 191 PRO B CB  1 
ATOM   1560 C CG  . PRO A 1 185 ? -17.699 2.364   -19.763 1.00 27.27 ? 191 PRO B CG  1 
ATOM   1561 C CD  . PRO A 1 185 ? -18.955 1.535   -19.943 1.00 24.54 ? 191 PRO B CD  1 
ATOM   1562 N N   . LEU A 1 186 ? -15.184 -0.904  -21.260 1.00 30.50 ? 192 LEU B N   1 
ATOM   1563 C CA  . LEU A 1 186 ? -13.950 -1.619  -20.854 1.00 34.70 ? 192 LEU B CA  1 
ATOM   1564 C C   . LEU A 1 186 ? -13.100 -0.729  -19.943 1.00 39.20 ? 192 LEU B C   1 
ATOM   1565 O O   . LEU A 1 186 ? -12.285 -1.298  -19.206 1.00 44.82 ? 192 LEU B O   1 
ATOM   1566 C CB  . LEU A 1 186 ? -13.151 -1.960  -22.117 1.00 37.09 ? 192 LEU B CB  1 
HETATM 1567 C C1  . EDO B 2 .   ? -45.676 -3.468  -22.904 1.00 25.42 ? 201 EDO B C1  1 
HETATM 1568 O O1  . EDO B 2 .   ? -44.287 -3.229  -23.116 1.00 19.02 ? 201 EDO B O1  1 
HETATM 1569 C C2  . EDO B 2 .   ? -46.486 -4.001  -24.031 1.00 32.84 ? 201 EDO B C2  1 
HETATM 1570 O O2  . EDO B 2 .   ? -46.241 -3.352  -25.262 1.00 38.94 ? 201 EDO B O2  1 
HETATM 1571 N N1  . LV4 C 3 .   ? -45.813 -10.036 -30.740 0.85 40.17 ? 202 LV4 B N1  1 
HETATM 1572 C C4  . LV4 C 3 .   ? -45.258 -8.053  -28.729 0.85 39.32 ? 202 LV4 B C4  1 
HETATM 1573 C C5  . LV4 C 3 .   ? -43.901 -8.093  -29.001 0.85 39.03 ? 202 LV4 B C5  1 
HETATM 1574 C C6  . LV4 C 3 .   ? -46.312 -10.167 -29.518 0.85 39.62 ? 202 LV4 B C6  1 
HETATM 1575 C C7  . LV4 C 3 .   ? -47.703 -6.282  -27.139 0.85 51.63 ? 202 LV4 B C7  1 
HETATM 1576 N N   . LV4 C 3 .   ? -46.102 -9.185  -28.623 0.85 39.29 ? 202 LV4 B N   1 
HETATM 1577 C C   . LV4 C 3 .   ? -43.171 -6.915  -29.083 0.85 38.34 ? 202 LV4 B C   1 
HETATM 1578 O O   . LV4 C 3 .   ? -47.240 -6.827  -28.264 0.85 46.93 ? 202 LV4 B O   1 
HETATM 1579 C C1  . LV4 C 3 .   ? -43.785 -5.700  -28.886 0.85 36.48 ? 202 LV4 B C1  1 
HETATM 1580 C C2  . LV4 C 3 .   ? -45.137 -5.634  -28.605 0.85 37.05 ? 202 LV4 B C2  1 
HETATM 1581 C C3  . LV4 C 3 .   ? -45.883 -6.807  -28.515 0.85 40.64 ? 202 LV4 B C3  1 
HETATM 1582 F F   . LV4 C 3 .   ? -48.984 -6.572  -26.971 0.85 49.17 ? 202 LV4 B F   1 
HETATM 1583 F F1  . LV4 C 3 .   ? -47.604 -4.963  -27.156 0.85 55.09 ? 202 LV4 B F1  1 
HETATM 1584 F F2  . LV4 C 3 .   ? -47.056 -6.712  -26.069 0.85 49.96 ? 202 LV4 B F2  1 
HETATM 1585 S S   . LV4 C 3 .   ? -47.209 -11.543 -29.091 0.85 42.25 ? 202 LV4 B S   1 
HETATM 1586 C C1  . EDO D 2 .   ? -50.704 -16.807 -33.043 1.00 33.37 ? 203 EDO B C1  1 
HETATM 1587 O O1  . EDO D 2 .   ? -49.366 -16.351 -33.018 1.00 26.72 ? 203 EDO B O1  1 
HETATM 1588 C C2  . EDO D 2 .   ? -51.213 -17.111 -31.707 1.00 35.99 ? 203 EDO B C2  1 
HETATM 1589 O O2  . EDO D 2 .   ? -51.334 -15.930 -30.959 1.00 44.02 ? 203 EDO B O2  1 
HETATM 1590 S S   . SO4 E 4 .   ? -40.394 -24.634 -26.199 1.00 37.87 ? 204 SO4 B S   1 
HETATM 1591 O O1  . SO4 E 4 .   ? -39.712 -23.658 -26.989 1.00 23.67 ? 204 SO4 B O1  1 
HETATM 1592 O O2  . SO4 E 4 .   ? -41.198 -25.485 -27.041 1.00 42.85 ? 204 SO4 B O2  1 
HETATM 1593 O O3  . SO4 E 4 .   ? -39.407 -25.447 -25.508 1.00 43.38 ? 204 SO4 B O3  1 
HETATM 1594 O O4  . SO4 E 4 .   ? -41.239 -23.979 -25.219 1.00 39.92 ? 204 SO4 B O4  1 
HETATM 1595 O O   . HOH F 5 .   ? -32.956 1.084   -33.472 1.00 18.70 ? 301 HOH B O   1 
HETATM 1596 O O   . HOH F 5 .   ? -45.050 7.394   -24.674 1.00 36.28 ? 302 HOH B O   1 
HETATM 1597 O O   . HOH F 5 .   ? -37.040 0.856   -15.501 1.00 15.68 ? 303 HOH B O   1 
HETATM 1598 O O   . HOH F 5 .   ? -38.060 2.813   -22.725 1.00 16.96 ? 304 HOH B O   1 
HETATM 1599 O O   . HOH F 5 .   ? -35.958 -22.496 -19.550 1.00 25.69 ? 305 HOH B O   1 
HETATM 1600 O O   . HOH F 5 .   ? -36.913 -16.365 -39.260 1.00 28.07 ? 306 HOH B O   1 
HETATM 1601 O O   . HOH F 5 .   ? -36.617 -23.092 -30.701 1.00 28.34 ? 307 HOH B O   1 
HETATM 1602 O O   . HOH F 5 .   ? -49.710 -1.670  -19.314 1.00 23.08 ? 308 HOH B O   1 
HETATM 1603 O O   . HOH F 5 .   ? -45.064 -12.341 -26.280 1.00 26.48 ? 309 HOH B O   1 
HETATM 1604 O O   . HOH F 5 .   ? -40.946 -9.341  -36.626 1.00 24.79 ? 310 HOH B O   1 
HETATM 1605 O O   . HOH F 5 .   ? -38.789 -2.453  -21.293 1.00 13.51 ? 311 HOH B O   1 
HETATM 1606 O O   . HOH F 5 .   ? -40.290 -14.443 -31.298 1.00 13.97 ? 312 HOH B O   1 
HETATM 1607 O O   . HOH F 5 .   ? -38.492 3.835   -42.148 1.00 25.82 ? 313 HOH B O   1 
HETATM 1608 O O   . HOH F 5 .   ? -34.120 -22.016 -31.316 1.00 17.73 ? 314 HOH B O   1 
HETATM 1609 O O   . HOH F 5 .   ? -38.024 -14.424 -21.375 1.00 31.87 ? 315 HOH B O   1 
HETATM 1610 O O   . HOH F 5 .   ? -42.268 -3.939  -39.381 1.00 20.30 ? 316 HOH B O   1 
HETATM 1611 O O   . HOH F 5 .   ? -36.521 -0.988  -22.040 1.00 12.87 ? 317 HOH B O   1 
HETATM 1612 O O   . HOH F 5 .   ? -35.579 -4.669  -42.079 1.00 21.10 ? 318 HOH B O   1 
HETATM 1613 O O   . HOH F 5 .   ? -47.106 -17.055 -31.441 1.00 15.69 ? 319 HOH B O   1 
HETATM 1614 O O   . HOH F 5 .   ? -33.555 -1.813  -38.317 1.00 25.69 ? 320 HOH B O   1 
HETATM 1615 O O   . HOH F 5 .   ? -41.700 1.473   -22.464 1.00 28.08 ? 321 HOH B O   1 
HETATM 1616 O O   . HOH F 5 .   ? -45.674 -19.762 -31.601 1.00 22.16 ? 322 HOH B O   1 
HETATM 1617 O O   . HOH F 5 .   ? -36.588 -0.365  -42.322 1.00 33.56 ? 323 HOH B O   1 
HETATM 1618 O O   . HOH F 5 .   ? -43.833 -0.632  -24.273 1.00 26.15 ? 324 HOH B O   1 
HETATM 1619 O O   . HOH F 5 .   ? -45.670 -14.883 -27.246 1.00 33.61 ? 325 HOH B O   1 
HETATM 1620 O O   . HOH F 5 .   ? -31.519 3.414   -26.771 1.00 21.80 ? 326 HOH B O   1 
HETATM 1621 O O   . HOH F 5 .   ? -41.446 -8.522  -13.295 1.00 19.17 ? 327 HOH B O   1 
HETATM 1622 O O   . HOH F 5 .   ? -39.874 2.680   -16.012 1.00 14.58 ? 328 HOH B O   1 
HETATM 1623 O O   . HOH F 5 .   ? -40.027 -11.399 -22.803 1.00 29.83 ? 329 HOH B O   1 
HETATM 1624 O O   . HOH F 5 .   ? -42.275 -11.495 -38.616 1.00 24.30 ? 330 HOH B O   1 
HETATM 1625 O O   . HOH F 5 .   ? -40.429 -7.514  -34.594 1.00 20.79 ? 331 HOH B O   1 
HETATM 1626 O O   . HOH F 5 .   ? -43.369 3.757   -18.774 1.00 19.60 ? 332 HOH B O   1 
HETATM 1627 O O   . HOH F 5 .   ? -41.115 -8.840  -19.354 1.00 13.06 ? 333 HOH B O   1 
HETATM 1628 O O   . HOH F 5 .   ? -42.714 -13.895 -39.850 1.00 38.93 ? 334 HOH B O   1 
HETATM 1629 O O   . HOH F 5 .   ? -42.164 -12.985 -22.335 1.00 26.41 ? 335 HOH B O   1 
# 
