data_7HM1
# 
_entry.id   7HM1 
# 
_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   7HM1         pdb_00007hm1 10.2210/pdb7hm1/pdb 
WWPDB D_1001407643 ?            ?                   
# 
_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                        7HM1 
_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 'ethyl (1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)acetate' 221.274   1  ?        ? ? ? 
3 non-polymer syn 1,2-ETHANEDIOL                                         62.068    1  ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                                          96.063    1  ?        ? ? ? 
5 water       nat water                                                  18.015    31 ?        ? ? ? 
# 
_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 'ethyl (1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)acetate' VWV 
3 1,2-ETHANEDIOL                                         EDO 
4 'SULFATE ION'                                          SO4 
5 water                                                  HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   HIS n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   MET n 
1 9   VAL n 
1 10  HIS n 
1 11  ILE n 
1 12  THR n 
1 13  LEU n 
1 14  ASP n 
1 15  ARG n 
1 16  ASN n 
1 17  THR n 
1 18  ALA n 
1 19  ASN n 
1 20  SER n 
1 21  TRP n 
1 22  LEU n 
1 23  ILE n 
1 24  ILE n 
1 25  SER n 
1 26  LYS n 
1 27  ASP n 
1 28  ARG n 
1 29  ARG n 
1 30  GLN n 
1 31  VAL n 
1 32  ARG n 
1 33  MET n 
1 34  GLY n 
1 35  ASP n 
1 36  THR n 
1 37  HIS n 
1 38  GLN n 
1 39  ASN n 
1 40  VAL n 
1 41  SER n 
1 42  ASP n 
1 43  ASN n 
1 44  LYS n 
1 45  GLU n 
1 46  ARG n 
1 47  PHE n 
1 48  SER n 
1 49  ASN n 
1 50  TYR n 
1 51  PRO n 
1 52  MET n 
1 53  VAL n 
1 54  LEU n 
1 55  GLY n 
1 56  ALA n 
1 57  GLN n 
1 58  ARG n 
1 59  PHE n 
1 60  SER n 
1 61  SER n 
1 62  GLY n 
1 63  LYS n 
1 64  MET n 
1 65  TYR n 
1 66  TRP n 
1 67  GLU n 
1 68  VAL n 
1 69  ASP n 
1 70  VAL n 
1 71  THR n 
1 72  GLN n 
1 73  LYS n 
1 74  GLU n 
1 75  ALA n 
1 76  TRP n 
1 77  ASP n 
1 78  LEU n 
1 79  GLY n 
1 80  VAL n 
1 81  CYS n 
1 82  ARG n 
1 83  ASP n 
1 84  SER n 
1 85  VAL n 
1 86  GLN n 
1 87  ARG n 
1 88  LYS n 
1 89  GLY n 
1 90  GLN n 
1 91  PHE n 
1 92  SER n 
1 93  LEU n 
1 94  SER n 
1 95  PRO n 
1 96  GLU n 
1 97  ASN n 
1 98  GLY n 
1 99  PHE n 
1 100 TRP n 
1 101 THR n 
1 102 ILE n 
1 103 TRP n 
1 104 LEU n 
1 105 TRP n 
1 106 GLN n 
1 107 ASP n 
1 108 SER n 
1 109 TYR n 
1 110 GLU n 
1 111 ALA n 
1 112 GLY n 
1 113 THR n 
1 114 SER n 
1 115 PRO n 
1 116 GLN n 
1 117 THR n 
1 118 THR n 
1 119 LEU n 
1 120 HIS n 
1 121 ILE n 
1 122 GLN n 
1 123 VAL n 
1 124 PRO n 
1 125 PRO n 
1 126 CYS n 
1 127 GLN n 
1 128 ILE n 
1 129 GLY n 
1 130 ILE n 
1 131 PHE n 
1 132 VAL n 
1 133 ASP n 
1 134 TYR n 
1 135 GLU n 
1 136 ALA n 
1 137 GLY n 
1 138 VAL n 
1 139 VAL n 
1 140 SER n 
1 141 PHE n 
1 142 TYR n 
1 143 ASN n 
1 144 ILE n 
1 145 THR n 
1 146 ASP n 
1 147 HIS n 
1 148 GLY n 
1 149 SER n 
1 150 LEU n 
1 151 ILE n 
1 152 TYR n 
1 153 THR n 
1 154 PHE n 
1 155 SER n 
1 156 GLU n 
1 157 CYS n 
1 158 VAL n 
1 159 PHE n 
1 160 ALA n 
1 161 GLY n 
1 162 PRO n 
1 163 LEU n 
1 164 ARG n 
1 165 PRO n 
1 166 PHE n 
1 167 PHE n 
1 168 ASN n 
1 169 VAL n 
1 170 GLY n 
1 171 PHE n 
1 172 ASN n 
1 173 TYR n 
1 174 SER n 
1 175 GLY n 
1 176 GLY n 
1 177 ASN n 
1 178 ALA n 
1 179 ALA n 
1 180 PRO n 
1 181 LEU n 
1 182 LYS n 
1 183 LEU n 
1 184 CYS n 
1 185 PRO n 
1 186 LEU n 
1 187 LYS n 
1 188 MET n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   188 
_entity_src_gen.gene_src_common_name               'house mouse' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'Trim21, Ro52, Ssa1' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE                                                ?                 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE                                               ?                 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE                                             ?                 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'                                        ?                 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE                                               ?                 'C3 H7 N O2 S'   121.158 
EDO non-polymer         . 1,2-ETHANEDIOL                                         'ETHYLENE GLYCOL' 'C2 H6 O2'       62.068  
GLN 'L-peptide linking' y GLUTAMINE                                              ?                 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'                                        ?                 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE                                                ?                 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE                                              ?                 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER                                                  ?                 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE                                             ?                 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE                                                ?                 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE                                                 ?                 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE                                             ?                 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE                                          ?                 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE                                                ?                 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE                                                 ?                 'C3 H7 N O3'     105.093 
SO4 non-polymer         . 'SULFATE ION'                                          ?                 'O4 S -2'        96.063  
THR 'L-peptide linking' y THREONINE                                              ?                 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                                             ?                 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE                                               ?                 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE                                                 ?                 'C5 H11 N O2'    117.146 
VWV non-polymer         . 'ethyl (1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)acetate' ?                 'C8 H15 N O4 S'  221.274 
# 
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        VWV 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   VWV 
_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 VWV 1  201 201 VWV LIG B . 
C 3 EDO 1  202 305 EDO EDO B . 
D 4 SO4 1  203 1   SO4 SO4 B . 
E 5 HOH 1  301 85  HOH HOH B . 
E 5 HOH 2  302 63  HOH HOH B . 
E 5 HOH 3  303 66  HOH HOH B . 
E 5 HOH 4  304 29  HOH HOH B . 
E 5 HOH 5  305 40  HOH HOH B . 
E 5 HOH 6  306 27  HOH HOH B . 
E 5 HOH 7  307 4   HOH HOH B . 
E 5 HOH 8  308 95  HOH HOH B . 
E 5 HOH 9  309 129 HOH HOH B . 
E 5 HOH 10 310 25  HOH HOH B . 
E 5 HOH 11 311 11  HOH HOH B . 
E 5 HOH 12 312 22  HOH HOH B . 
E 5 HOH 13 313 72  HOH HOH B . 
E 5 HOH 14 314 20  HOH HOH B . 
E 5 HOH 15 315 28  HOH HOH B . 
E 5 HOH 16 316 137 HOH HOH B . 
E 5 HOH 17 317 62  HOH HOH B . 
E 5 HOH 18 318 1   HOH HOH B . 
E 5 HOH 19 319 304 HOH HOH B . 
E 5 HOH 20 320 3   HOH HOH B . 
E 5 HOH 21 321 24  HOH HOH B . 
E 5 HOH 22 322 8   HOH HOH B . 
E 5 HOH 23 323 23  HOH HOH B . 
E 5 HOH 24 324 257 HOH HOH B . 
E 5 HOH 25 325 25  HOH HOH B . 
E 5 HOH 26 326 22  HOH HOH B . 
E 5 HOH 27 327 30  HOH HOH B . 
E 5 HOH 28 328 120 HOH HOH B . 
E 5 HOH 29 329 41  HOH HOH B . 
E 5 HOH 30 330 53  HOH HOH B . 
E 5 HOH 31 331 166 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           7HM1 
_cell.length_a           95.439 
_cell.length_b           95.439 
_cell.length_c           45.914 
_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                         7HM1 
_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          7HM1 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.42 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   49.19 
_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   2024-05-24 
_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                     7HM1 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             67.470 
_reflns.d_resolution_high            1.340 
_reflns.number_obs                   46517 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         100.000 
_reflns.pdbx_Rmerge_I_obs            0.086 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        15.200 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              11.700 
_reflns.pdbx_Rrim_I_all              0.090 
_reflns.pdbx_Rpim_I_all              0.025 
_reflns.pdbx_CC_half                 0.999 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     546293 
_reflns.pdbx_scaling_rejects         0 
_reflns.pdbx_chi_squared             ? 
_reflns.Rmerge_F_all                 ? 
_reflns.Rmerge_F_obs                 ? 
_reflns.observed_criterion_F_max     ? 
_reflns.observed_criterion_F_min     ? 
_reflns.observed_criterion_I_max     ? 
_reflns.observed_criterion_I_min     ? 
_reflns.pdbx_d_res_high_opt          ? 
_reflns.pdbx_d_res_low_opt           ? 
_reflns.details                      ? 
# 
loop_
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_ordinal 
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.number_measured_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_unique_obs 
_reflns_shell.pdbx_rejects 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_redundancy 
_reflns_shell.percent_possible_obs 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.Rmerge_I_all 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.percent_possible_all 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_CC_half 
1 1 1.340 1.360  ? 11899 2269 ? 1.652 ? ? ? 5.200  ? 0.500  ? ? ? ? ? ? 99.700 1.847 0.794 0.298 
1 2 7.340 67.470 ? 3804  313  ? 0.044 ? ? ? 12.200 ? 90.700 ? ? ? ? ? ? 99.900 0.046 0.015 0.997 
# 
_refine.entry_id                                 7HM1 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.3400 
_refine.ls_d_res_low                             67.4900 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    99.7000 
_refine.ls_number_reflns_obs                     44161 
_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                          0.1875 
_refine.ls_R_factor_R_work                       0.1862 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.2119 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.8000 
_refine.ls_number_reflns_R_free                  2237 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               18.3340 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.0900 
_refine.aniso_B[2][2]                            0.0900 
_refine.aniso_B[3][3]                            -0.1800 
_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               0.9680 
_refine.correlation_coeff_Fo_to_Fc_free          0.9560 
_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                       0.0610 
_refine.pdbx_overall_ESU_R_Free                  0.0620 
_refine.overall_SU_ML                            0.0560 
_refine.overall_SU_B                             1.5110 
_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                                79.580 
_refine.B_iso_min                                9.700 
_refine.pdbx_overall_phase_error                 ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.pdbx_diffrn_id                           1 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.ls_R_factor_R_free_error_details         ? 
# 
_refine_hist.cycle_id                         final 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.d_res_high                       1.3400 
_refine_hist.d_res_low                        67.4900 
_refine_hist.pdbx_number_atoms_ligand         23 
_refine_hist.number_atoms_solvent             31 
_refine_hist.number_atoms_total               1547 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           36.10 
_refine_hist.pdbx_B_iso_mean_solvent          26.37 
_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       2168 0.011  0.014  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1642 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2563 1.719  1.640  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3795 1.439  1.578  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 241  6.944  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 110  27.532 21.182 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 288  13.435 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   20.888 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         224  0.082  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2271 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     507  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            1084 1.406  1.761  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         965  1.471  1.605  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1153 2.311  2.415  ? ? 
# 
_refine_ls_shell.d_res_high                       1.3400 
_refine_ls_shell.d_res_low                        1.3750 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               96.4400 
_refine_ls_shell.number_reflns_R_work             3162 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3530 
_refine_ls_shell.R_factor_R_free                  0.3580 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             143 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                3305 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HM1 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z793778804' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HM1 
_struct_keywords.text            'SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, TRIM21, LIGASE' 
_struct_keywords.pdbx_keywords   LIGASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    RO52_MOUSE 
_struct_ref.pdbx_db_accession          Q62191 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;VHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGVCRDSVQRK
GQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFAGPLRPFFN
VGFNYSGGNAAPLKLCPLKM
;
_struct_ref.pdbx_align_begin           291 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              7HM1 
_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 7HM1 MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HM1 HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HM1 HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HM1 HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HM1 HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HM1 HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HM1 HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HM1 MET B 8 ? UNP Q62191 ? ? 'expression tag'        14 8 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 4  ? MET A 8  ? HIS B 10  MET B 14  5 ? 5 
HELX_P HELX_P2 AA2 ASP A 14 ? ALA A 18 ? ASP B 20  ALA B 24  5 ? 5 
HELX_P HELX_P3 AA3 SER A 94 ? ASN A 97 ? SER B 100 ASN B 103 5 ? 4 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           114 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            120 
_struct_mon_prot_cis.auth_asym_id           B 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    115 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     121 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    B 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -1.43 
# 
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                   7HM1 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             CG 
_pdbx_validate_rmsd_angle.auth_asym_id_1             B 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_1              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CD 
_pdbx_validate_rmsd_angle.auth_asym_id_2             B 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_2              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             NE 
_pdbx_validate_rmsd_angle.auth_asym_id_3             B 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_3              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                124.96 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            13.16 
_pdbx_validate_rmsd_angle.angle_standard_deviation   2.10 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 SER B 67  ? B 179.85  157.19 
2 1 ASP B 152 ? ? -101.27 52.72  
# 
_phasing.method   MR 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 B MET 7   ? A MET 1   
2 1 Y 1 B LYS 193 ? A LYS 187 
3 1 Y 1 B MET 194 ? A MET 188 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
EDO C1   C N N 88  
EDO O1   O N N 89  
EDO C2   C N N 90  
EDO O2   O N N 91  
EDO H11  H N N 92  
EDO H12  H N N 93  
EDO HO1  H N N 94  
EDO H21  H N N 95  
EDO H22  H N N 96  
EDO HO2  H N N 97  
GLN N    N N N 98  
GLN CA   C N S 99  
GLN C    C N N 100 
GLN O    O N N 101 
GLN CB   C N N 102 
GLN CG   C N N 103 
GLN CD   C N N 104 
GLN OE1  O N N 105 
GLN NE2  N N N 106 
GLN OXT  O N N 107 
GLN H    H N N 108 
GLN H2   H N N 109 
GLN HA   H N N 110 
GLN HB2  H N N 111 
GLN HB3  H N N 112 
GLN HG2  H N N 113 
GLN HG3  H N N 114 
GLN HE21 H N N 115 
GLN HE22 H N N 116 
GLN HXT  H N N 117 
GLU N    N N N 118 
GLU CA   C N S 119 
GLU C    C N N 120 
GLU O    O N N 121 
GLU CB   C N N 122 
GLU CG   C N N 123 
GLU CD   C N N 124 
GLU OE1  O N N 125 
GLU OE2  O N N 126 
GLU OXT  O N N 127 
GLU H    H N N 128 
GLU H2   H N N 129 
GLU HA   H N N 130 
GLU HB2  H N N 131 
GLU HB3  H N N 132 
GLU HG2  H N N 133 
GLU HG3  H N N 134 
GLU HE2  H N N 135 
GLU HXT  H N N 136 
GLY N    N N N 137 
GLY CA   C N N 138 
GLY C    C N N 139 
GLY O    O N N 140 
GLY OXT  O N N 141 
GLY H    H N N 142 
GLY H2   H N N 143 
GLY HA2  H N N 144 
GLY HA3  H N N 145 
GLY HXT  H N N 146 
HIS N    N N N 147 
HIS CA   C N S 148 
HIS C    C N N 149 
HIS O    O N N 150 
HIS CB   C N N 151 
HIS CG   C Y N 152 
HIS ND1  N Y N 153 
HIS CD2  C Y N 154 
HIS CE1  C Y N 155 
HIS NE2  N Y N 156 
HIS OXT  O N N 157 
HIS H    H N N 158 
HIS H2   H N N 159 
HIS HA   H N N 160 
HIS HB2  H N N 161 
HIS HB3  H N N 162 
HIS HD1  H N N 163 
HIS HD2  H N N 164 
HIS HE1  H N N 165 
HIS HE2  H N N 166 
HIS HXT  H N N 167 
HOH O    O N N 168 
HOH H1   H N N 169 
HOH H2   H N N 170 
ILE N    N N N 171 
ILE CA   C N S 172 
ILE C    C N N 173 
ILE O    O N N 174 
ILE CB   C N S 175 
ILE CG1  C N N 176 
ILE CG2  C N N 177 
ILE CD1  C N N 178 
ILE OXT  O N N 179 
ILE H    H N N 180 
ILE H2   H N N 181 
ILE HA   H N N 182 
ILE HB   H N N 183 
ILE HG12 H N N 184 
ILE HG13 H N N 185 
ILE HG21 H N N 186 
ILE HG22 H N N 187 
ILE HG23 H N N 188 
ILE HD11 H N N 189 
ILE HD12 H N N 190 
ILE HD13 H N N 191 
ILE HXT  H N N 192 
LEU N    N N N 193 
LEU CA   C N S 194 
LEU C    C N N 195 
LEU O    O N N 196 
LEU CB   C N N 197 
LEU CG   C N N 198 
LEU CD1  C N N 199 
LEU CD2  C N N 200 
LEU OXT  O N N 201 
LEU H    H N N 202 
LEU H2   H N N 203 
LEU HA   H N N 204 
LEU HB2  H N N 205 
LEU HB3  H N N 206 
LEU HG   H N N 207 
LEU HD11 H N N 208 
LEU HD12 H N N 209 
LEU HD13 H N N 210 
LEU HD21 H N N 211 
LEU HD22 H N N 212 
LEU HD23 H N N 213 
LEU HXT  H N N 214 
LYS N    N N N 215 
LYS CA   C N S 216 
LYS C    C N N 217 
LYS O    O N N 218 
LYS CB   C N N 219 
LYS CG   C N N 220 
LYS CD   C N N 221 
LYS CE   C N N 222 
LYS NZ   N N N 223 
LYS OXT  O N N 224 
LYS H    H N N 225 
LYS H2   H N N 226 
LYS HA   H N N 227 
LYS HB2  H N N 228 
LYS HB3  H N N 229 
LYS HG2  H N N 230 
LYS HG3  H N N 231 
LYS HD2  H N N 232 
LYS HD3  H N N 233 
LYS HE2  H N N 234 
LYS HE3  H N N 235 
LYS HZ1  H N N 236 
LYS HZ2  H N N 237 
LYS HZ3  H N N 238 
LYS HXT  H N N 239 
MET N    N N N 240 
MET CA   C N S 241 
MET C    C N N 242 
MET O    O N N 243 
MET CB   C N N 244 
MET CG   C N N 245 
MET SD   S N N 246 
MET CE   C N N 247 
MET OXT  O N N 248 
MET H    H N N 249 
MET H2   H N N 250 
MET HA   H N N 251 
MET HB2  H N N 252 
MET HB3  H N N 253 
MET HG2  H N N 254 
MET HG3  H N N 255 
MET HE1  H N N 256 
MET HE2  H N N 257 
MET HE3  H N N 258 
MET HXT  H N N 259 
PHE N    N N N 260 
PHE CA   C N S 261 
PHE C    C N N 262 
PHE O    O N N 263 
PHE CB   C N N 264 
PHE CG   C Y N 265 
PHE CD1  C Y N 266 
PHE CD2  C Y N 267 
PHE CE1  C Y N 268 
PHE CE2  C Y N 269 
PHE CZ   C Y N 270 
PHE OXT  O N N 271 
PHE H    H N N 272 
PHE H2   H N N 273 
PHE HA   H N N 274 
PHE HB2  H N N 275 
PHE HB3  H N N 276 
PHE HD1  H N N 277 
PHE HD2  H N N 278 
PHE HE1  H N N 279 
PHE HE2  H N N 280 
PHE HZ   H N N 281 
PHE HXT  H N N 282 
PRO N    N N N 283 
PRO CA   C N S 284 
PRO C    C N N 285 
PRO O    O N N 286 
PRO CB   C N N 287 
PRO CG   C N N 288 
PRO CD   C N N 289 
PRO OXT  O N N 290 
PRO H    H N N 291 
PRO HA   H N N 292 
PRO HB2  H N N 293 
PRO HB3  H N N 294 
PRO HG2  H N N 295 
PRO HG3  H N N 296 
PRO HD2  H N N 297 
PRO HD3  H N N 298 
PRO HXT  H N N 299 
SER N    N N N 300 
SER CA   C N S 301 
SER C    C N N 302 
SER O    O N N 303 
SER CB   C N N 304 
SER OG   O N N 305 
SER OXT  O N N 306 
SER H    H N N 307 
SER H2   H N N 308 
SER HA   H N N 309 
SER HB2  H N N 310 
SER HB3  H N N 311 
SER HG   H N N 312 
SER HXT  H N N 313 
SO4 S    S N N 314 
SO4 O1   O N N 315 
SO4 O2   O N N 316 
SO4 O3   O N N 317 
SO4 O4   O N N 318 
THR N    N N N 319 
THR CA   C N S 320 
THR C    C N N 321 
THR O    O N N 322 
THR CB   C N R 323 
THR OG1  O N N 324 
THR CG2  C N N 325 
THR OXT  O N N 326 
THR H    H N N 327 
THR H2   H N N 328 
THR HA   H N N 329 
THR HB   H N N 330 
THR HG1  H N N 331 
THR HG21 H N N 332 
THR HG22 H N N 333 
THR HG23 H N N 334 
THR HXT  H N N 335 
TRP N    N N N 336 
TRP CA   C N S 337 
TRP C    C N N 338 
TRP O    O N N 339 
TRP CB   C N N 340 
TRP CG   C Y N 341 
TRP CD1  C Y N 342 
TRP CD2  C Y N 343 
TRP NE1  N Y N 344 
TRP CE2  C Y N 345 
TRP CE3  C Y N 346 
TRP CZ2  C Y N 347 
TRP CZ3  C Y N 348 
TRP CH2  C Y N 349 
TRP OXT  O N N 350 
TRP H    H N N 351 
TRP H2   H N N 352 
TRP HA   H N N 353 
TRP HB2  H N N 354 
TRP HB3  H N N 355 
TRP HD1  H N N 356 
TRP HE1  H N N 357 
TRP HE3  H N N 358 
TRP HZ2  H N N 359 
TRP HZ3  H N N 360 
TRP HH2  H N N 361 
TRP HXT  H N N 362 
TYR N    N N N 363 
TYR CA   C N S 364 
TYR C    C N N 365 
TYR O    O N N 366 
TYR CB   C N N 367 
TYR CG   C Y N 368 
TYR CD1  C Y N 369 
TYR CD2  C Y N 370 
TYR CE1  C Y N 371 
TYR CE2  C Y N 372 
TYR CZ   C Y N 373 
TYR OH   O N N 374 
TYR OXT  O N N 375 
TYR H    H N N 376 
TYR H2   H N N 377 
TYR HA   H N N 378 
TYR HB2  H N N 379 
TYR HB3  H N N 380 
TYR HD1  H N N 381 
TYR HD2  H N N 382 
TYR HE1  H N N 383 
TYR HE2  H N N 384 
TYR HH   H N N 385 
TYR HXT  H N N 386 
VAL N    N N N 387 
VAL CA   C N S 388 
VAL C    C N N 389 
VAL O    O N N 390 
VAL CB   C N N 391 
VAL CG1  C N N 392 
VAL CG2  C N N 393 
VAL OXT  O N N 394 
VAL H    H N N 395 
VAL H2   H N N 396 
VAL HA   H N N 397 
VAL HB   H N N 398 
VAL HG11 H N N 399 
VAL HG12 H N N 400 
VAL HG13 H N N 401 
VAL HG21 H N N 402 
VAL HG22 H N N 403 
VAL HG23 H N N 404 
VAL HXT  H N N 405 
VWV N1   N N N 406 
VWV C4   C N N 407 
VWV C5   C N N 408 
VWV C6   C N N 409 
VWV C7   C N N 410 
VWV C8   C N N 411 
VWV C1   C N N 412 
VWV C2   C N N 413 
VWV O1   O N N 414 
VWV C3   C N N 415 
VWV O2   O N N 416 
VWV S1   S N N 417 
VWV O3   O N N 418 
VWV O4   O N N 419 
VWV H7   H N N 420 
VWV H6   H N N 421 
VWV H9   H N N 422 
VWV H8   H N N 423 
VWV H11  H N N 424 
VWV H10  H N N 425 
VWV H12  H N N 426 
VWV H13  H N N 427 
VWV H14  H N N 428 
VWV H15  H N N 429 
VWV H1   H N N 430 
VWV H2   H N N 431 
VWV H3   H N N 432 
VWV H5   H N N 433 
VWV H4   H N N 434 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
EDO C1  O1   sing N N 83  
EDO C1  C2   sing N N 84  
EDO C1  H11  sing N N 85  
EDO C1  H12  sing N N 86  
EDO O1  HO1  sing N N 87  
EDO C2  O2   sing N N 88  
EDO C2  H21  sing N N 89  
EDO C2  H22  sing N N 90  
EDO O2  HO2  sing N N 91  
GLN N   CA   sing N N 92  
GLN N   H    sing N N 93  
GLN N   H2   sing N N 94  
GLN CA  C    sing N N 95  
GLN CA  CB   sing N N 96  
GLN CA  HA   sing N N 97  
GLN C   O    doub N N 98  
GLN C   OXT  sing N N 99  
GLN CB  CG   sing N N 100 
GLN CB  HB2  sing N N 101 
GLN CB  HB3  sing N N 102 
GLN CG  CD   sing N N 103 
GLN CG  HG2  sing N N 104 
GLN CG  HG3  sing N N 105 
GLN CD  OE1  doub N N 106 
GLN CD  NE2  sing N N 107 
GLN NE2 HE21 sing N N 108 
GLN NE2 HE22 sing N N 109 
GLN OXT HXT  sing N N 110 
GLU N   CA   sing N N 111 
GLU N   H    sing N N 112 
GLU N   H2   sing N N 113 
GLU CA  C    sing N N 114 
GLU CA  CB   sing N N 115 
GLU CA  HA   sing N N 116 
GLU C   O    doub N N 117 
GLU C   OXT  sing N N 118 
GLU CB  CG   sing N N 119 
GLU CB  HB2  sing N N 120 
GLU CB  HB3  sing N N 121 
GLU CG  CD   sing N N 122 
GLU CG  HG2  sing N N 123 
GLU CG  HG3  sing N N 124 
GLU CD  OE1  doub N N 125 
GLU CD  OE2  sing N N 126 
GLU OE2 HE2  sing N N 127 
GLU OXT HXT  sing N N 128 
GLY N   CA   sing N N 129 
GLY N   H    sing N N 130 
GLY N   H2   sing N N 131 
GLY CA  C    sing N N 132 
GLY CA  HA2  sing N N 133 
GLY CA  HA3  sing N N 134 
GLY C   O    doub N N 135 
GLY C   OXT  sing N N 136 
GLY OXT HXT  sing N N 137 
HIS N   CA   sing N N 138 
HIS N   H    sing N N 139 
HIS N   H2   sing N N 140 
HIS CA  C    sing N N 141 
HIS CA  CB   sing N N 142 
HIS CA  HA   sing N N 143 
HIS C   O    doub N N 144 
HIS C   OXT  sing N N 145 
HIS CB  CG   sing N N 146 
HIS CB  HB2  sing N N 147 
HIS CB  HB3  sing N N 148 
HIS CG  ND1  sing Y N 149 
HIS CG  CD2  doub Y N 150 
HIS ND1 CE1  doub Y N 151 
HIS ND1 HD1  sing N N 152 
HIS CD2 NE2  sing Y N 153 
HIS CD2 HD2  sing N N 154 
HIS CE1 NE2  sing Y N 155 
HIS CE1 HE1  sing N N 156 
HIS NE2 HE2  sing N N 157 
HIS OXT HXT  sing N N 158 
HOH O   H1   sing N N 159 
HOH O   H2   sing N N 160 
ILE N   CA   sing N N 161 
ILE N   H    sing N N 162 
ILE N   H2   sing N N 163 
ILE CA  C    sing N N 164 
ILE CA  CB   sing N N 165 
ILE CA  HA   sing N N 166 
ILE C   O    doub N N 167 
ILE C   OXT  sing N N 168 
ILE CB  CG1  sing N N 169 
ILE CB  CG2  sing N N 170 
ILE CB  HB   sing N N 171 
ILE CG1 CD1  sing N N 172 
ILE CG1 HG12 sing N N 173 
ILE CG1 HG13 sing N N 174 
ILE CG2 HG21 sing N N 175 
ILE CG2 HG22 sing N N 176 
ILE CG2 HG23 sing N N 177 
ILE CD1 HD11 sing N N 178 
ILE CD1 HD12 sing N N 179 
ILE CD1 HD13 sing N N 180 
ILE OXT HXT  sing N N 181 
LEU N   CA   sing N N 182 
LEU N   H    sing N N 183 
LEU N   H2   sing N N 184 
LEU CA  C    sing N N 185 
LEU CA  CB   sing N N 186 
LEU CA  HA   sing N N 187 
LEU C   O    doub N N 188 
LEU C   OXT  sing N N 189 
LEU CB  CG   sing N N 190 
LEU CB  HB2  sing N N 191 
LEU CB  HB3  sing N N 192 
LEU CG  CD1  sing N N 193 
LEU CG  CD2  sing N N 194 
LEU CG  HG   sing N N 195 
LEU CD1 HD11 sing N N 196 
LEU CD1 HD12 sing N N 197 
LEU CD1 HD13 sing N N 198 
LEU CD2 HD21 sing N N 199 
LEU CD2 HD22 sing N N 200 
LEU CD2 HD23 sing N N 201 
LEU OXT HXT  sing N N 202 
LYS N   CA   sing N N 203 
LYS N   H    sing N N 204 
LYS N   H2   sing N N 205 
LYS CA  C    sing N N 206 
LYS CA  CB   sing N N 207 
LYS CA  HA   sing N N 208 
LYS C   O    doub N N 209 
LYS C   OXT  sing N N 210 
LYS CB  CG   sing N N 211 
LYS CB  HB2  sing N N 212 
LYS CB  HB3  sing N N 213 
LYS CG  CD   sing N N 214 
LYS CG  HG2  sing N N 215 
LYS CG  HG3  sing N N 216 
LYS CD  CE   sing N N 217 
LYS CD  HD2  sing N N 218 
LYS CD  HD3  sing N N 219 
LYS CE  NZ   sing N N 220 
LYS CE  HE2  sing N N 221 
LYS CE  HE3  sing N N 222 
LYS NZ  HZ1  sing N N 223 
LYS NZ  HZ2  sing N N 224 
LYS NZ  HZ3  sing N N 225 
LYS OXT HXT  sing N N 226 
MET N   CA   sing N N 227 
MET N   H    sing N N 228 
MET N   H2   sing N N 229 
MET CA  C    sing N N 230 
MET CA  CB   sing N N 231 
MET CA  HA   sing N N 232 
MET C   O    doub N N 233 
MET C   OXT  sing N N 234 
MET CB  CG   sing N N 235 
MET CB  HB2  sing N N 236 
MET CB  HB3  sing N N 237 
MET CG  SD   sing N N 238 
MET CG  HG2  sing N N 239 
MET CG  HG3  sing N N 240 
MET SD  CE   sing N N 241 
MET CE  HE1  sing N N 242 
MET CE  HE2  sing N N 243 
MET CE  HE3  sing N N 244 
MET OXT HXT  sing N N 245 
PHE N   CA   sing N N 246 
PHE N   H    sing N N 247 
PHE N   H2   sing N N 248 
PHE CA  C    sing N N 249 
PHE CA  CB   sing N N 250 
PHE CA  HA   sing N N 251 
PHE C   O    doub N N 252 
PHE C   OXT  sing N N 253 
PHE CB  CG   sing N N 254 
PHE CB  HB2  sing N N 255 
PHE CB  HB3  sing N N 256 
PHE CG  CD1  doub Y N 257 
PHE CG  CD2  sing Y N 258 
PHE CD1 CE1  sing Y N 259 
PHE CD1 HD1  sing N N 260 
PHE CD2 CE2  doub Y N 261 
PHE CD2 HD2  sing N N 262 
PHE CE1 CZ   doub Y N 263 
PHE CE1 HE1  sing N N 264 
PHE CE2 CZ   sing Y N 265 
PHE CE2 HE2  sing N N 266 
PHE CZ  HZ   sing N N 267 
PHE OXT HXT  sing N N 268 
PRO N   CA   sing N N 269 
PRO N   CD   sing N N 270 
PRO N   H    sing N N 271 
PRO CA  C    sing N N 272 
PRO CA  CB   sing N N 273 
PRO CA  HA   sing N N 274 
PRO C   O    doub N N 275 
PRO C   OXT  sing N N 276 
PRO CB  CG   sing N N 277 
PRO CB  HB2  sing N N 278 
PRO CB  HB3  sing N N 279 
PRO CG  CD   sing N N 280 
PRO CG  HG2  sing N N 281 
PRO CG  HG3  sing N N 282 
PRO CD  HD2  sing N N 283 
PRO CD  HD3  sing N N 284 
PRO OXT HXT  sing N N 285 
SER N   CA   sing N N 286 
SER N   H    sing N N 287 
SER N   H2   sing N N 288 
SER CA  C    sing N N 289 
SER CA  CB   sing N N 290 
SER CA  HA   sing N N 291 
SER C   O    doub N N 292 
SER C   OXT  sing N N 293 
SER CB  OG   sing N N 294 
SER CB  HB2  sing N N 295 
SER CB  HB3  sing N N 296 
SER OG  HG   sing N N 297 
SER OXT HXT  sing N N 298 
SO4 S   O1   doub N N 299 
SO4 S   O2   doub N N 300 
SO4 S   O3   sing N N 301 
SO4 S   O4   sing N N 302 
THR N   CA   sing N N 303 
THR N   H    sing N N 304 
THR N   H2   sing N N 305 
THR CA  C    sing N N 306 
THR CA  CB   sing N N 307 
THR CA  HA   sing N N 308 
THR C   O    doub N N 309 
THR C   OXT  sing N N 310 
THR CB  OG1  sing N N 311 
THR CB  CG2  sing N N 312 
THR CB  HB   sing N N 313 
THR OG1 HG1  sing N N 314 
THR CG2 HG21 sing N N 315 
THR CG2 HG22 sing N N 316 
THR CG2 HG23 sing N N 317 
THR OXT HXT  sing N N 318 
TRP N   CA   sing N N 319 
TRP N   H    sing N N 320 
TRP N   H2   sing N N 321 
TRP CA  C    sing N N 322 
TRP CA  CB   sing N N 323 
TRP CA  HA   sing N N 324 
TRP C   O    doub N N 325 
TRP C   OXT  sing N N 326 
TRP CB  CG   sing N N 327 
TRP CB  HB2  sing N N 328 
TRP CB  HB3  sing N N 329 
TRP CG  CD1  doub Y N 330 
TRP CG  CD2  sing Y N 331 
TRP CD1 NE1  sing Y N 332 
TRP CD1 HD1  sing N N 333 
TRP CD2 CE2  doub Y N 334 
TRP CD2 CE3  sing Y N 335 
TRP NE1 CE2  sing Y N 336 
TRP NE1 HE1  sing N N 337 
TRP CE2 CZ2  sing Y N 338 
TRP CE3 CZ3  doub Y N 339 
TRP CE3 HE3  sing N N 340 
TRP CZ2 CH2  doub Y N 341 
TRP CZ2 HZ2  sing N N 342 
TRP CZ3 CH2  sing Y N 343 
TRP CZ3 HZ3  sing N N 344 
TRP CH2 HH2  sing N N 345 
TRP OXT HXT  sing N N 346 
TYR N   CA   sing N N 347 
TYR N   H    sing N N 348 
TYR N   H2   sing N N 349 
TYR CA  C    sing N N 350 
TYR CA  CB   sing N N 351 
TYR CA  HA   sing N N 352 
TYR C   O    doub N N 353 
TYR C   OXT  sing N N 354 
TYR CB  CG   sing N N 355 
TYR CB  HB2  sing N N 356 
TYR CB  HB3  sing N N 357 
TYR CG  CD1  doub Y N 358 
TYR CG  CD2  sing Y N 359 
TYR CD1 CE1  sing Y N 360 
TYR CD1 HD1  sing N N 361 
TYR CD2 CE2  doub Y N 362 
TYR CD2 HD2  sing N N 363 
TYR CE1 CZ   doub Y N 364 
TYR CE1 HE1  sing N N 365 
TYR CE2 CZ   sing Y N 366 
TYR CE2 HE2  sing N N 367 
TYR CZ  OH   sing N N 368 
TYR OH  HH   sing N N 369 
TYR OXT HXT  sing N N 370 
VAL N   CA   sing N N 371 
VAL N   H    sing N N 372 
VAL N   H2   sing N N 373 
VAL CA  C    sing N N 374 
VAL CA  CB   sing N N 375 
VAL CA  HA   sing N N 376 
VAL C   O    doub N N 377 
VAL C   OXT  sing N N 378 
VAL CB  CG1  sing N N 379 
VAL CB  CG2  sing N N 380 
VAL CB  HB   sing N N 381 
VAL CG1 HG11 sing N N 382 
VAL CG1 HG12 sing N N 383 
VAL CG1 HG13 sing N N 384 
VAL CG2 HG21 sing N N 385 
VAL CG2 HG22 sing N N 386 
VAL CG2 HG23 sing N N 387 
VAL OXT HXT  sing N N 388 
VWV C6  S1   sing N N 389 
VWV C6  C5   sing N N 390 
VWV O4  S1   doub N N 391 
VWV S1  O3   doub N N 392 
VWV S1  C7   sing N N 393 
VWV C5  N1   sing N N 394 
VWV N1  C4   sing N N 395 
VWV N1  C8   sing N N 396 
VWV C7  C8   sing N N 397 
VWV C4  C3   sing N N 398 
VWV C1  C2   sing N N 399 
VWV O1  C2   sing N N 400 
VWV O1  C3   sing N N 401 
VWV C3  O2   doub N N 402 
VWV C4  H7   sing N N 403 
VWV C4  H6   sing N N 404 
VWV C5  H9   sing N N 405 
VWV C5  H8   sing N N 406 
VWV C6  H11  sing N N 407 
VWV C6  H10  sing N N 408 
VWV C7  H12  sing N N 409 
VWV C7  H13  sing N N 410 
VWV C8  H14  sing N N 411 
VWV C8  H15  sing N N 412 
VWV C1  H1   sing N N 413 
VWV C1  H2   sing N N 414 
VWV C1  H3   sing N N 415 
VWV C2  H5   sing N N 416 
VWV C2  H4   sing N N 417 
# 
_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                    7HM1 
_atom_sites.fract_transf_matrix[1][1]   0.010478 
_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]   0.010478 
_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]   0.021780 
_atom_sites.fract_transf_vector[1]      0.000000 
_atom_sites.fract_transf_vector[2]      0.000000 
_atom_sites.fract_transf_vector[3]      0.000000 
# 
loop_
_atom_type.symbol 
C 
N 
O 
S 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N   . HIS A 1 2   ? -13.256 -12.673 -9.934  1.00 60.52 ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.778 -13.364 -11.185 1.00 55.83 ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.680 -12.523 -11.852 1.00 55.32 ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.600 -11.298 -11.571 1.00 57.39 ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -13.956 -13.649 -12.140 1.00 48.54 ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.545 -12.437 -12.789 1.00 44.42 ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -13.960 -11.831 -13.890 1.00 45.52 ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.665 -11.724 -12.521 1.00 42.61 ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.678 -10.782 -14.252 1.00 44.03 ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.733 -10.685 -13.428 1.00 38.42 ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -10.900 -13.150 -12.734 1.00 50.07 ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.793  -12.520 -13.501 1.00 52.09 ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -10.041 -12.689 -15.010 1.00 46.30 ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -9.067  -12.974 -15.734 1.00 48.15 ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.451  -13.079 -12.990 1.00 61.35 ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -8.266  -12.863 -11.519 1.00 72.68 ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -7.987  -11.612 -10.977 1.00 73.69 ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -8.360  -13.713 -10.470 1.00 77.48 ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -7.901  -11.709 -9.665  1.00 76.06 ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -8.117  -12.990 -9.328  1.00 79.58 ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.288 -12.472 -15.473 1.00 36.09 ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.717 -12.653 -16.892 1.00 29.98 ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.686 -11.325 -17.651 1.00 29.70 ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.838 -11.352 -18.891 1.00 28.74 ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.134 -13.256 -16.991 1.00 28.58 ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.264 -14.623 -16.417 1.00 29.76 ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.357 -15.653 -16.693 1.00 29.71 ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.204 -15.149 -15.605 1.00 29.29 ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.752 -16.744 -16.064 1.00 34.25 ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.872 -16.459 -15.390 1.00 32.70 ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.494 -10.202 -16.951 1.00 31.23 ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.618 -8.822  -17.500 1.00 33.38 ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.733 -8.627  -18.742 1.00 32.67 ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.191 -7.940  -19.689 1.00 33.58 ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.330 -7.755  -16.419 1.00 39.96 ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -12.166 -7.907  -15.192 1.00 49.88 ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.718 -8.599  -14.066 1.00 60.63 ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.417 -7.478  -14.900 1.00 54.64 ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.660 -8.583  -13.136 1.00 60.80 ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.717 -7.902  -13.625 1.00 56.09 ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.548  -9.250  -18.780 1.00 30.09 ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.554  -9.136  -19.885 1.00 30.66 ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -9.042  -9.764  -21.195 1.00 28.73 ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.402  -9.522  -22.220 1.00 30.26 ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.197  -9.726  -19.479 1.00 33.79 ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.186  -11.183 -19.162 1.00 34.96 ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.548  -12.112 -19.972 1.00 40.99 ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.651  -11.872 -18.097 1.00 38.32 ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.655  -13.313 -19.443 1.00 35.88 ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.324  -13.199 -18.290 1.00 42.25 ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.105 -10.580 -21.188 1.00 24.80 ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.756 -11.117 -22.418 1.00 22.27 ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.879 -10.190 -22.874 1.00 20.50 ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.701 -10.639 -23.673 1.00 17.46 ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.319 -12.508 -22.155 1.00 21.46 ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.275 -13.500 -21.742 1.00 23.28 ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.222  -13.830 -22.587 1.00 24.71 ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -10.119 -14.194 -20.599 1.00 24.21 ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.453  -14.702 -21.965 1.00 22.12 ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -8.971  -14.955 -20.748 1.00 26.42 ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -11.921 -8.963  -22.375 1.00 20.72 ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -12.973 -7.979  -22.717 1.00 22.82 ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -13.080 -7.834  -24.245 1.00 23.29 ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -12.039 -7.718  -24.946 1.00 26.02 ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.655 -6.622  -22.084 1.00 29.47 ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.661 -5.521  -22.396 1.00 34.27 ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.285 -5.747  -21.577 1.00 44.99 ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -14.895 -5.165  -19.931 1.00 34.77 ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.300 -7.826  -24.771 1.00 19.27 ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.582 -7.608  -26.217 1.00 19.60 ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.574 -6.432  -26.327 1.00 22.00 ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.423 -6.257  -25.433 1.00 21.06 ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.101 -8.874  -26.929 1.00 21.71 ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -14.007 -9.918  -27.034 1.00 24.85 ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.332 -9.469  -26.268 1.00 20.47 ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.500 -5.684  -27.420 1.00 21.24 ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.381 -4.517  -27.656 1.00 21.47 ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.602 -5.029  -28.412 1.00 20.60 ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.459 -5.489  -29.577 1.00 23.49 ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.642 -3.448  -28.442 1.00 22.16 ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.422 -2.199  -28.665 1.00 27.45 ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.561 -1.228  -27.685 1.00 29.72 ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.089 -1.758  -29.755 1.00 30.01 ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.291 -0.230  -28.164 1.00 26.99 ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.639 -0.544  -29.439 1.00 31.79 ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.741 -5.124  -27.732 1.00 16.51 ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -19.970 -5.657  -28.352 1.00 18.16 ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.796 -4.474  -28.879 1.00 18.06 ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.835 -3.450  -28.238 1.00 16.54 ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.784 -6.474  -27.330 1.00 16.90 ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -20.001 -7.693  -26.824 1.00 18.67 ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.141 -6.864  -27.915 1.00 16.05 ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.393 -8.591  -27.898 1.00 19.00 ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.395 -4.659  -30.036 1.00 16.58 ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.382 -3.692  -30.602 1.00 17.59 ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.650 -4.457  -30.973 1.00 17.05 ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.594 -5.663  -31.248 1.00 18.46 ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.808 -2.917  -31.794 1.00 20.06 ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.430 -3.837  -32.795 1.00 20.21 ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.639 -2.024  -31.423 1.00 22.93 ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.790 -3.775  -30.936 1.00 16.13 ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -26.095 -4.393  -31.230 1.00 15.70 ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.340 -4.408  -32.742 1.00 15.40 ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -26.028 -3.375  -33.402 1.00 17.70 ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.164 -3.637  -30.444 1.00 15.92 ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -26.962 -3.665  -28.934 1.00 16.60 ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -27.964 -2.793  -28.181 1.00 18.78 ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -26.997 -5.102  -28.413 1.00 18.19 ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -27.024 -5.418  -33.213 1.00 14.75 ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.374 -5.586  -34.643 1.00 15.31 ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -28.868 -5.181  -34.802 1.00 16.65 ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.739 -5.986  -34.503 1.00 15.72 ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -27.091 -7.015  -35.123 1.00 16.11 ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.433 -7.283  -36.582 1.00 21.57 ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -28.045 -6.382  -37.182 1.00 20.45 ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -27.141 -8.395  -37.113 1.00 19.57 ? 20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -29.092 -3.940  -35.277 0.25 17.31 ? 21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -29.133 -3.956  -35.272 0.25 17.93 ? 21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.415 -3.331  -35.621 0.25 18.95 ? 21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.513 -3.414  -35.452 0.25 19.64 ? 21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.330 -4.330  -36.327 0.25 17.57 ? 21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.368 -4.331  -36.339 0.25 18.12 ? 21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.543 -4.341  -36.040 0.25 17.37 ? 21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.599 -4.318  -36.164 0.25 17.54 ? 21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.265 -2.164  -36.614 0.25 19.60 ? 21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.470 -2.013  -36.080 0.25 22.08 ? 21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.180 -1.156  -36.278 0.25 21.60 ? 21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.833 -0.939  -35.213 0.25 24.38 ? 21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.440 0.233   -36.849 0.25 21.69 ? 21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.375 -0.680  -35.569 0.25 28.13 ? 21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -28.862 1.247   -35.981 0.25 20.82 ? 21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -28.169 0.405   -36.532 0.25 30.22 ? 21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.520 1.784   -34.974 0.25 19.39 ? 21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -27.716 0.267   -37.781 0.25 33.43 ? 21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.768 1.418   -34.766 0.25 20.62 ? 21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -27.397 -0.918  -38.274 0.25 33.86 ? 21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -28.950 2.676   -34.192 0.25 20.72 ? 21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -27.575 1.338   -38.539 0.25 35.06 ? 21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.779 -5.074  -37.283 1.00 17.81 ? 22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.571 -5.915  -38.210 1.00 18.44 ? 22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.209 -7.105  -37.499 1.00 16.82 ? 22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.205 -7.600  -37.991 1.00 17.02 ? 22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.693 -6.322  -39.400 1.00 22.85 ? 22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.450 -5.166  -40.350 1.00 29.71 ? 22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -31.182 -4.175  -40.354 1.00 37.95 ? 22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.414 -5.287  -41.162 1.00 40.07 ? 22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.686 -7.511  -36.316 1.00 14.97 ? 23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.223 -8.628  -35.522 1.00 15.79 ? 23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.274 -8.131  -34.538 1.00 14.57 ? 23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -33.932 -8.965  -33.939 1.00 14.47 ? 23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -31.117 -9.398  -34.776 1.00 15.14 ? 23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.572 -8.558  -33.750 1.00 14.65 ? 23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -30.074 -9.916  -35.751 1.00 15.80 ? 23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.362 -6.824  -34.313 1.00 14.34 ? 24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -34.178 -6.296  -33.199 1.00 13.19 ? 24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.677 -6.458  -33.465 1.00 14.39 ? 24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -36.164 -6.201  -34.582 1.00 15.39 ? 24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -33.849 -4.850  -33.006 1.00 14.89 ? 24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.420 -6.777  -32.425 1.00 13.57 ? 25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -37.885 -6.580  -32.425 1.00 13.01 ? 25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -38.156 -5.138  -32.900 1.00 13.81 ? 25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.449 -4.186  -32.565 1.00 13.71 ? 25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.414 -6.917  -31.032 1.00 13.70 ? 25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -39.897 -6.707  -30.944 1.00 16.23 ? 25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.331 -5.573  -30.775 1.00 16.83 ? 25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.648 -7.767  -31.070 1.00 20.77 ? 25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.225 -4.992  -33.665 1.00 13.88 ? 26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.542 -3.725  -34.353 1.00 14.99 ? 26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -39.941 -2.628  -33.385 1.00 15.27 ? 26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -40.023 -1.483  -33.848 1.00 16.13 ? 26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.629 -3.956  -35.363 1.00 16.72 ? 26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.802 -4.400  -34.696 1.00 20.91 ? 26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -40.129 -2.879  -32.096 1.00 13.33 ? 27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.421 -1.836  -31.081 1.00 14.91 ? 27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.190 -1.359  -30.337 1.00 15.10 ? 27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.318 -0.431  -29.548 1.00 15.84 ? 27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.432 -2.367  -30.117 1.00 16.12 ? 27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.811 -2.463  -30.688 1.00 15.84 ? 27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.183 -2.994  -31.896 1.00 15.51 ? 27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -44.007 -2.017  -30.040 1.00 19.05 ? 27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.553 -2.926  -32.040 1.00 20.15 ? 27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -45.067 -2.347  -30.915 1.00 17.93 ? 27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -44.258 -1.384  -28.821 1.00 20.18 ? 27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.398 -2.025  -30.597 1.00 21.48 ? 27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.581 -1.085  -28.502 1.00 21.58 ? 27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.613 -1.456  -29.360 1.00 22.48 ? 27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -38.013 -1.939  -30.642 1.00 14.56 ? 28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.787 -1.542  -29.915 1.00 14.79 ? 28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.171 -0.292  -30.560 1.00 14.31 ? 28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.166 -0.145  -31.776 1.00 14.33 ? 28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.790 -2.702  -29.923 1.00 13.05 ? 28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.231 -3.950  -29.162 1.00 14.73 ? 28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -35.117 -4.987  -29.122 1.00 14.13 ? 28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.650 -3.624  -27.768 1.00 15.38 ? 28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.539 0.480   -29.715 1.00 14.27 ? 29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.740 1.666   -30.098 1.00 14.31 ? 29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.302 1.402   -29.675 1.00 14.64 ? 29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -33.035 1.361   -28.457 1.00 15.59 ? 29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.281 2.951   -29.499 1.00 15.05 ? 29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.772 3.208   -29.855 1.00 15.47 ? 29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.394 4.144   -29.946 1.00 16.34 ? 29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.395 4.319   -29.134 1.00 16.25 ? 29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.451 1.254   -30.670 1.00 17.27 ? 30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -30.987 1.078   -30.488 1.00 17.75 ? 30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.320 2.431   -30.675 1.00 19.36 ? 30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.576 3.111   -31.719 1.00 20.23 ? 30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.463 0.008   -31.440 1.00 18.22 ? 30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -30.962 -1.372  -31.044 1.00 20.42 ? 30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -28.936 -0.003  -31.457 1.00 17.39 ? 30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -30.723 -2.367  -32.007 1.00 25.27 ? 30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.431 2.797   -29.768 1.00 18.48 ? 31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.761 4.114   -29.772 1.00 18.23 ? 31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -27.845 4.213   -31.005 1.00 16.89 ? 31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.452 3.195   -31.583 1.00 18.28 ? 31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -28.012 4.302   -28.494 1.00 19.83 ? 31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -27.012 3.289   -28.396 1.00 18.77 ? 31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.489 5.440   -31.382 1.00 20.54 ? 32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.609 5.681   -32.562 1.00 21.00 ? 32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.294 4.888   -32.450 1.00 18.98 ? 32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -24.840 4.395   -33.476 1.00 22.97 ? 32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -26.345 7.184   -32.643 1.00 24.28 ? 32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -25.427 7.584   -33.777 1.00 28.13 ? 32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.465 9.077   -33.993 1.00 28.00 ? 32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -25.330 9.840   -32.699 1.00 33.27 ? 32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.274 11.286  -32.990 1.00 35.76 ? 32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.719 4.805   -31.247 1.00 20.65 ? 33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.422 4.099   -31.017 1.00 19.66 ? 33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.612 2.572   -30.980 1.00 18.27 ? 33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.591 1.844   -30.855 1.00 18.88 ? 33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.700 4.612   -29.770 1.00 20.21 ? 33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.353 4.359   -28.421 1.00 20.23 ? 33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.435 3.686   -28.371 1.00 21.40 ? 33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.783 4.842   -27.426 1.00 24.30 ? 33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -24.841 2.094   -31.057 1.00 16.99 ? 34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.173 0.650   -31.057 1.00 16.23 ? 34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.742 0.006   -29.726 1.00 13.83 ? 34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.607 -1.233  -29.694 1.00 14.83 ? 34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.646 -0.042  -32.319 1.00 19.95 ? 34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.276 0.523   -33.587 1.00 24.16 ? 34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -24.736 0.037   -34.907 1.00 33.25 ? 34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.309 -0.223  -34.929 1.00 42.71 ? 34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.726 -1.424  -34.776 1.00 57.64 ? 34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.439 -2.531  -34.563 1.00 54.49 ? 34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.403 -1.506  -34.844 1.00 62.59 ? 34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.716 0.744   -28.640 1.00 13.80 ? 35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.319 0.245   -27.298 1.00 15.76 ? 35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.476 0.218   -26.307 1.00 15.62 ? 35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.298 -0.351  -25.207 1.00 15.90 ? 35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.149 1.034   -26.717 1.00 16.74 ? 35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -21.921 0.923   -27.608 1.00 18.28 ? 35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -21.078 -0.291  -27.342 1.00 20.07 ? 35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.316 -0.078  -26.107 1.00 22.14 ? 35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.578 -1.021  -25.508 1.00 21.31 ? 35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.490 -2.213  -26.043 1.00 21.16 ? 35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -18.912 -0.741  -24.407 1.00 21.76 ? 35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.645 0.774   -26.630 1.00 14.19 ? 36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -27.816 0.823   -25.718 1.00 14.62 ? 36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -29.065 0.434   -26.483 1.00 14.47 ? 36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.168 0.655   -27.722 1.00 14.53 ? 36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -28.062 2.204   -25.102 1.00 16.82 ? 36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -26.824 2.816   -24.517 1.00 20.00 ? 36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -27.185 4.069   -23.753 1.00 24.13 ? 36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.332 4.285   -23.362 1.00 25.11 ? 36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -26.189 4.901   -23.559 1.00 27.48 ? 36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -29.976 -0.213  -25.777 1.00 13.27 ? 37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.287 -0.571  -26.356 1.00 13.59 ? 37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.372 -0.378  -25.306 1.00 13.91 ? 37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.176 -0.754  -24.160 1.00 13.81 ? 37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.266 -1.985  -26.947 1.00 12.33 ? 37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -30.854 -3.073  -25.938 1.00 12.27 ? 37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.613 -2.349  -27.612 1.00 14.03 ? 37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.526 0.097   -25.730 1.00 14.77 ? 38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.699 0.221   -24.851 1.00 15.01 ? 38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -35.967 -0.061  -25.654 1.00 15.27 ? 38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -35.959 0.011   -26.894 1.00 13.84 ? 38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.791 1.602   -24.208 1.00 15.77 ? 38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -35.049 2.727   -25.202 1.00 18.50 ? 38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -34.929 4.083   -24.501 1.00 21.39 ? 38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -35.176 5.182   -25.432 1.00 26.33 ? 38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -36.367 5.703   -25.684 1.00 24.99 ? 38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -37.457 5.236   -25.112 1.00 28.20 ? 38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -36.465 6.702   -26.562 1.00 29.91 ? 38  ARG B NH2 1 
ATOM   283  N N   A MET A 1 33  ? -37.029 -0.387  -24.913 0.22 15.13 ? 39  MET B N   1 
ATOM   284  N N   B MET A 1 33  ? -37.045 -0.422  -24.960 0.14 16.26 ? 39  MET B N   1 
ATOM   285  C CA  A MET A 1 33  ? -38.414 -0.573  -25.427 0.22 16.82 ? 39  MET B CA  1 
ATOM   286  C CA  B MET A 1 33  ? -38.355 -0.712  -25.601 0.14 18.17 ? 39  MET B CA  1 
ATOM   287  C C   A MET A 1 33  ? -38.961 0.789   -25.865 0.22 16.14 ? 39  MET B C   1 
ATOM   288  C C   B MET A 1 33  ? -39.092 0.612   -25.840 0.14 17.40 ? 39  MET B C   1 
ATOM   289  O O   A MET A 1 33  ? -38.891 1.754   -25.080 0.22 16.20 ? 39  MET B O   1 
ATOM   290  O O   B MET A 1 33  ? -39.345 1.329   -24.857 0.14 17.88 ? 39  MET B O   1 
ATOM   291  C CB  A MET A 1 33  ? -39.296 -1.170  -24.323 0.22 18.07 ? 39  MET B CB  1 
ATOM   292  C CB  B MET A 1 33  ? -39.197 -1.644  -24.724 0.14 20.36 ? 39  MET B CB  1 
ATOM   293  C CG  A MET A 1 33  ? -40.737 -1.479  -24.749 0.22 19.39 ? 39  MET B CG  1 
ATOM   294  C CG  B MET A 1 33  ? -40.611 -1.863  -25.248 0.14 22.80 ? 39  MET B CG  1 
ATOM   295  S SD  A MET A 1 33  ? -40.824 -2.525  -26.240 0.22 21.39 ? 39  MET B SD  1 
ATOM   296  S SD  B MET A 1 33  ? -41.085 -3.602  -25.197 0.14 26.96 ? 39  MET B SD  1 
ATOM   297  C CE  A MET A 1 33  ? -41.866 -3.886  -25.720 0.22 22.94 ? 39  MET B CE  1 
ATOM   298  C CE  B MET A 1 33  ? -41.961 -3.723  -26.756 0.14 25.26 ? 39  MET B CE  1 
ATOM   299  N N   . GLY A 1 34  ? -39.425 0.884   -27.108 1.00 16.83 ? 40  GLY B N   1 
ATOM   300  C CA  . GLY A 1 34  ? -40.174 2.081   -27.551 1.00 18.01 ? 40  GLY B CA  1 
ATOM   301  C C   . GLY A 1 34  ? -41.631 1.962   -27.145 1.00 19.86 ? 40  GLY B C   1 
ATOM   302  O O   . GLY A 1 34  ? -42.052 0.869   -26.735 1.00 20.35 ? 40  GLY B O   1 
ATOM   303  N N   . ASP A 1 35  ? -42.373 3.069   -27.273 1.00 25.15 ? 41  ASP B N   1 
ATOM   304  C CA  . ASP A 1 35  ? -43.814 3.077   -26.880 1.00 30.63 ? 41  ASP B CA  1 
ATOM   305  C C   . ASP A 1 35  ? -44.667 2.653   -28.097 1.00 29.74 ? 41  ASP B C   1 
ATOM   306  O O   . ASP A 1 35  ? -45.910 2.476   -27.951 1.00 27.38 ? 41  ASP B O   1 
ATOM   307  C CB  . ASP A 1 35  ? -44.157 4.403   -26.172 1.00 40.30 ? 41  ASP B CB  1 
ATOM   308  C CG  . ASP A 1 35  ? -43.712 4.431   -24.702 1.00 52.07 ? 41  ASP B CG  1 
ATOM   309  O OD1 . ASP A 1 35  ? -43.188 3.394   -24.215 1.00 58.55 ? 41  ASP B OD1 1 
ATOM   310  O OD2 . ASP A 1 35  ? -43.893 5.476   -24.026 1.00 61.23 ? 41  ASP B OD2 1 
ATOM   311  N N   . THR A 1 36  ? -44.054 2.321   -29.225 1.00 21.95 ? 42  THR B N   1 
ATOM   312  C CA  . THR A 1 36  ? -44.796 1.943   -30.460 1.00 21.00 ? 42  THR B CA  1 
ATOM   313  C C   . THR A 1 36  ? -43.874 1.204   -31.431 1.00 18.03 ? 42  THR B C   1 
ATOM   314  O O   . THR A 1 36  ? -42.586 1.206   -31.225 1.00 16.54 ? 42  THR B O   1 
ATOM   315  C CB  . THR A 1 36  ? -45.379 3.241   -31.033 1.00 21.40 ? 42  THR B CB  1 
ATOM   316  O OG1 . THR A 1 36  ? -46.284 2.895   -32.058 1.00 24.63 ? 42  THR B OG1 1 
ATOM   317  C CG2 . THR A 1 36  ? -44.314 4.124   -31.645 1.00 23.05 ? 42  THR B CG2 1 
ATOM   318  N N   . HIS A 1 37  ? -44.380 0.749   -32.579 1.00 18.97 ? 43  HIS B N   1 
ATOM   319  C CA  . HIS A 1 37  ? -43.548 0.247   -33.717 1.00 18.92 ? 43  HIS B CA  1 
ATOM   320  C C   . HIS A 1 37  ? -42.574 1.345   -34.150 1.00 19.37 ? 43  HIS B C   1 
ATOM   321  O O   . HIS A 1 37  ? -43.017 2.504   -34.364 1.00 19.95 ? 43  HIS B O   1 
ATOM   322  C CB  . HIS A 1 37  ? -44.483 -0.249  -34.842 1.00 18.05 ? 43  HIS B CB  1 
ATOM   323  C CG  . HIS A 1 37  ? -43.865 -0.908  -36.028 1.00 16.40 ? 43  HIS B CG  1 
ATOM   324  N ND1 . HIS A 1 37  ? -43.041 -0.252  -36.935 1.00 16.75 ? 43  HIS B ND1 1 
ATOM   325  C CD2 . HIS A 1 37  ? -43.960 -2.193  -36.454 1.00 16.92 ? 43  HIS B CD2 1 
ATOM   326  C CE1 . HIS A 1 37  ? -42.699 -1.089  -37.889 1.00 16.71 ? 43  HIS B CE1 1 
ATOM   327  N NE2 . HIS A 1 37  ? -43.241 -2.337  -37.601 1.00 16.08 ? 43  HIS B NE2 1 
ATOM   328  N N   . GLN A 1 38  ? -41.289 1.012   -34.352 1.00 16.88 ? 44  GLN B N   1 
ATOM   329  C CA  . GLN A 1 38  ? -40.242 2.006   -34.653 1.00 16.49 ? 44  GLN B CA  1 
ATOM   330  C C   . GLN A 1 38  ? -40.046 2.245   -36.165 1.00 18.88 ? 44  GLN B C   1 
ATOM   331  O O   . GLN A 1 38  ? -39.020 2.824   -36.572 1.00 19.19 ? 44  GLN B O   1 
ATOM   332  C CB  . GLN A 1 38  ? -38.957 1.616   -33.932 1.00 16.28 ? 44  GLN B CB  1 
ATOM   333  C CG  . GLN A 1 38  ? -39.078 1.709   -32.435 1.00 15.71 ? 44  GLN B CG  1 
ATOM   334  C CD  . GLN A 1 38  ? -39.586 3.049   -31.958 1.00 16.17 ? 44  GLN B CD  1 
ATOM   335  O OE1 . GLN A 1 38  ? -40.573 3.180   -31.214 1.00 18.92 ? 44  GLN B OE1 1 
ATOM   336  N NE2 . GLN A 1 38  ? -38.952 4.105   -32.430 1.00 15.22 ? 44  GLN B NE2 1 
ATOM   337  N N   . ASN A 1 39  ? -41.021 1.927   -36.985 1.00 17.59 ? 45  ASN B N   1 
ATOM   338  C CA  . ASN A 1 39  ? -41.075 2.384   -38.411 1.00 15.28 ? 45  ASN B CA  1 
ATOM   339  C C   . ASN A 1 39  ? -39.965 1.761   -39.250 1.00 17.76 ? 45  ASN B C   1 
ATOM   340  O O   . ASN A 1 39  ? -39.508 2.375   -40.234 1.00 19.27 ? 45  ASN B O   1 
ATOM   341  C CB  . ASN A 1 39  ? -41.132 3.924   -38.510 1.00 16.06 ? 45  ASN B CB  1 
ATOM   342  C CG  . ASN A 1 39  ? -41.740 4.374   -39.833 1.00 17.12 ? 45  ASN B CG  1 
ATOM   343  O OD1 . ASN A 1 39  ? -42.629 3.719   -40.367 1.00 15.88 ? 45  ASN B OD1 1 
ATOM   344  N ND2 . ASN A 1 39  ? -41.326 5.548   -40.337 1.00 16.33 ? 45  ASN B ND2 1 
ATOM   345  N N   . VAL A 1 40  ? -39.671 0.487   -38.997 1.00 18.83 ? 46  VAL B N   1 
ATOM   346  C CA  . VAL A 1 40  ? -38.685 -0.327  -39.767 1.00 20.27 ? 46  VAL B CA  1 
ATOM   347  C C   . VAL A 1 40  ? -39.435 -1.396  -40.571 1.00 18.94 ? 46  VAL B C   1 
ATOM   348  O O   . VAL A 1 40  ? -40.519 -1.773  -40.174 1.00 18.59 ? 46  VAL B O   1 
ATOM   349  C CB  . VAL A 1 40  ? -37.648 -0.954  -38.818 1.00 20.51 ? 46  VAL B CB  1 
ATOM   350  C CG1 . VAL A 1 40  ? -36.770 0.120   -38.190 1.00 23.60 ? 46  VAL B CG1 1 
ATOM   351  C CG2 . VAL A 1 40  ? -38.291 -1.825  -37.738 1.00 23.15 ? 46  VAL B CG2 1 
ATOM   352  N N   . SER A 1 41  ? -38.865 -1.870  -41.672 1.00 21.28 ? 47  SER B N   1 
ATOM   353  C CA  . SER A 1 41  ? -39.426 -3.014  -42.422 1.00 21.05 ? 47  SER B CA  1 
ATOM   354  C C   . SER A 1 41  ? -39.246 -4.308  -41.636 1.00 21.81 ? 47  SER B C   1 
ATOM   355  O O   . SER A 1 41  ? -38.313 -4.411  -40.839 1.00 19.00 ? 47  SER B O   1 
ATOM   356  C CB  . SER A 1 41  ? -38.833 -3.126  -43.813 1.00 23.64 ? 47  SER B CB  1 
ATOM   357  O OG  . SER A 1 41  ? -37.437 -3.347  -43.757 1.00 25.65 ? 47  SER B OG  1 
ATOM   358  N N   . ASP A 1 42  ? -40.100 -5.291  -41.896 1.00 19.89 ? 48  ASP B N   1 
ATOM   359  C CA  . ASP A 1 42  ? -39.959 -6.641  -41.331 1.00 19.45 ? 48  ASP B CA  1 
ATOM   360  C C   . ASP A 1 42  ? -38.886 -7.386  -42.114 1.00 21.14 ? 48  ASP B C   1 
ATOM   361  O O   . ASP A 1 42  ? -38.621 -7.059  -43.293 1.00 21.71 ? 48  ASP B O   1 
ATOM   362  C CB  . ASP A 1 42  ? -41.294 -7.360  -41.320 1.00 22.38 ? 48  ASP B CB  1 
ATOM   363  C CG  . ASP A 1 42  ? -41.249 -8.585  -40.429 1.00 27.80 ? 48  ASP B CG  1 
ATOM   364  O OD1 . ASP A 1 42  ? -40.511 -8.573  -39.357 1.00 20.48 ? 48  ASP B OD1 1 
ATOM   365  O OD2 . ASP A 1 42  ? -41.856 -9.569  -40.857 1.00 37.00 ? 48  ASP B OD2 1 
ATOM   366  N N   . ASN A 1 43  ? -38.295 -8.398  -41.474 1.00 18.84 ? 49  ASN B N   1 
ATOM   367  C CA  . ASN A 1 43  ? -37.274 -9.271  -42.101 1.00 19.25 ? 49  ASN B CA  1 
ATOM   368  C C   . ASN A 1 43  ? -37.231 -10.572 -41.295 1.00 20.14 ? 49  ASN B C   1 
ATOM   369  O O   . ASN A 1 43  ? -37.816 -10.632 -40.175 1.00 20.28 ? 49  ASN B O   1 
ATOM   370  C CB  . ASN A 1 43  ? -35.946 -8.565  -42.297 1.00 19.60 ? 49  ASN B CB  1 
ATOM   371  C CG  . ASN A 1 43  ? -35.201 -8.372  -40.996 1.00 20.24 ? 49  ASN B CG  1 
ATOM   372  O OD1 . ASN A 1 43  ? -34.997 -9.326  -40.259 1.00 22.69 ? 49  ASN B OD1 1 
ATOM   373  N ND2 . ASN A 1 43  ? -34.841 -7.165  -40.685 1.00 19.10 ? 49  ASN B ND2 1 
ATOM   374  N N   . LYS A 1 44  ? -36.628 -11.611 -41.850 1.00 21.35 ? 50  LYS B N   1 
ATOM   375  C CA  . LYS A 1 44  ? -36.687 -12.957 -41.239 1.00 22.44 ? 50  LYS B CA  1 
ATOM   376  C C   . LYS A 1 44  ? -35.774 -13.013 -39.999 1.00 20.23 ? 50  LYS B C   1 
ATOM   377  O O   . LYS A 1 44  ? -35.954 -13.985 -39.217 1.00 21.46 ? 50  LYS B O   1 
ATOM   378  C CB  . LYS A 1 44  ? -36.236 -14.022 -42.249 1.00 25.57 ? 50  LYS B CB  1 
ATOM   379  C CG  . LYS A 1 44  ? -34.797 -13.870 -42.716 1.00 29.78 ? 50  LYS B CG  1 
ATOM   380  C CD  . LYS A 1 44  ? -34.390 -14.864 -43.796 1.00 39.65 ? 50  LYS B CD  1 
ATOM   381  C CE  . LYS A 1 44  ? -32.887 -14.980 -43.927 1.00 44.61 ? 50  LYS B CE  1 
ATOM   382  N NZ  . LYS A 1 44  ? -32.542 -16.016 -44.930 1.00 50.62 ? 50  LYS B NZ  1 
ATOM   383  N N   . GLU A 1 45  ? -34.887 -12.035 -39.825 1.00 19.04 ? 51  GLU B N   1 
ATOM   384  C CA  . GLU A 1 45  ? -33.963 -12.019 -38.647 1.00 19.81 ? 51  GLU B CA  1 
ATOM   385  C C   . GLU A 1 45  ? -34.680 -11.489 -37.405 1.00 18.54 ? 51  GLU B C   1 
ATOM   386  O O   . GLU A 1 45  ? -34.202 -11.777 -36.263 1.00 18.85 ? 51  GLU B O   1 
ATOM   387  C CB  . GLU A 1 45  ? -32.733 -11.163 -38.900 1.00 22.52 ? 51  GLU B CB  1 
ATOM   388  C CG  . GLU A 1 45  ? -31.821 -11.648 -40.023 1.00 27.33 ? 51  GLU B CG  1 
ATOM   389  C CD  . GLU A 1 45  ? -30.626 -10.732 -40.218 1.00 36.51 ? 51  GLU B CD  1 
ATOM   390  O OE1 . GLU A 1 45  ? -30.506 -10.152 -41.323 1.00 50.44 ? 51  GLU B OE1 1 
ATOM   391  O OE2 . GLU A 1 45  ? -29.840 -10.547 -39.268 1.00 45.34 ? 51  GLU B OE2 1 
ATOM   392  N N   . ARG A 1 46  ? -35.713 -10.655 -37.547 1.00 16.65 ? 52  ARG B N   1 
ATOM   393  C CA  . ARG A 1 46  ? -36.243 -9.952  -36.342 1.00 16.64 ? 52  ARG B CA  1 
ATOM   394  C C   . ARG A 1 46  ? -36.970 -10.879 -35.370 1.00 15.88 ? 52  ARG B C   1 
ATOM   395  O O   . ARG A 1 46  ? -37.835 -11.717 -35.754 1.00 17.35 ? 52  ARG B O   1 
ATOM   396  C CB  . ARG A 1 46  ? -37.226 -8.832  -36.714 1.00 16.59 ? 52  ARG B CB  1 
ATOM   397  C CG  . ARG A 1 46  ? -36.631 -7.693  -37.502 1.00 17.85 ? 52  ARG B CG  1 
ATOM   398  C CD  . ARG A 1 46  ? -37.585 -6.495  -37.478 1.00 16.50 ? 52  ARG B CD  1 
ATOM   399  N NE  . ARG A 1 46  ? -37.065 -5.503  -38.376 1.00 17.70 ? 52  ARG B NE  1 
ATOM   400  C CZ  . ARG A 1 46  ? -35.976 -4.774  -38.145 1.00 17.44 ? 52  ARG B CZ  1 
ATOM   401  N NH1 . ARG A 1 46  ? -35.361 -4.760  -36.961 1.00 15.85 ? 52  ARG B NH1 1 
ATOM   402  N NH2 . ARG A 1 46  ? -35.529 -3.953  -39.079 1.00 20.83 ? 52  ARG B NH2 1 
ATOM   403  N N   . PHE A 1 47  ? -36.679 -10.770 -34.076 1.00 14.30 ? 53  PHE B N   1 
ATOM   404  C CA  . PHE A 1 47  ? -37.482 -11.475 -33.068 1.00 13.97 ? 53  PHE B CA  1 
ATOM   405  C C   . PHE A 1 47  ? -38.916 -10.898 -33.089 1.00 15.76 ? 53  PHE B C   1 
ATOM   406  O O   . PHE A 1 47  ? -39.054 -9.671  -32.881 1.00 16.19 ? 53  PHE B O   1 
ATOM   407  C CB  . PHE A 1 47  ? -36.877 -11.403 -31.681 1.00 14.12 ? 53  PHE B CB  1 
ATOM   408  C CG  . PHE A 1 47  ? -35.625 -12.232 -31.547 1.00 13.56 ? 53  PHE B CG  1 
ATOM   409  C CD1 . PHE A 1 47  ? -35.731 -13.590 -31.283 1.00 13.76 ? 53  PHE B CD1 1 
ATOM   410  C CD2 . PHE A 1 47  ? -34.357 -11.690 -31.636 1.00 14.51 ? 53  PHE B CD2 1 
ATOM   411  C CE1 . PHE A 1 47  ? -34.594 -14.375 -31.128 1.00 14.53 ? 53  PHE B CE1 1 
ATOM   412  C CE2 . PHE A 1 47  ? -33.221 -12.487 -31.469 1.00 14.36 ? 53  PHE B CE2 1 
ATOM   413  C CZ  . PHE A 1 47  ? -33.352 -13.845 -31.256 1.00 13.12 ? 53  PHE B CZ  1 
ATOM   414  N N   . SER A 1 48  ? -39.934 -11.711 -33.287 1.00 17.04 ? 54  SER B N   1 
ATOM   415  C CA  . SER A 1 48  ? -41.315 -11.175 -33.461 1.00 18.13 ? 54  SER B CA  1 
ATOM   416  C C   . SER A 1 48  ? -42.067 -11.065 -32.144 1.00 17.65 ? 54  SER B C   1 
ATOM   417  O O   . SER A 1 48  ? -42.844 -10.093 -32.000 1.00 20.47 ? 54  SER B O   1 
ATOM   418  C CB  . SER A 1 48  ? -42.076 -12.020 -34.446 1.00 17.20 ? 54  SER B CB  1 
ATOM   419  O OG  . SER A 1 48  ? -42.170 -13.359 -34.050 1.00 17.68 ? 54  SER B OG  1 
ATOM   420  N N   . ASN A 1 49  ? -41.929 -12.016 -31.238 1.00 16.25 ? 55  ASN B N   1 
ATOM   421  C CA  . ASN A 1 49  ? -42.837 -12.136 -30.080 1.00 17.36 ? 55  ASN B CA  1 
ATOM   422  C C   . ASN A 1 49  ? -42.324 -11.396 -28.846 1.00 17.06 ? 55  ASN B C   1 
ATOM   423  O O   . ASN A 1 49  ? -43.094 -11.227 -27.884 1.00 18.40 ? 55  ASN B O   1 
ATOM   424  C CB  . ASN A 1 49  ? -43.152 -13.585 -29.751 1.00 18.21 ? 55  ASN B CB  1 
ATOM   425  C CG  . ASN A 1 49  ? -44.092 -14.243 -30.756 1.00 22.48 ? 55  ASN B CG  1 
ATOM   426  O OD1 . ASN A 1 49  ? -43.918 -14.128 -31.975 1.00 22.46 ? 55  ASN B OD1 1 
ATOM   427  N ND2 . ASN A 1 49  ? -45.026 -15.033 -30.237 1.00 26.04 ? 55  ASN B ND2 1 
ATOM   428  N N   . TYR A 1 50  ? -41.018 -11.118 -28.797 1.00 14.44 ? 56  TYR B N   1 
ATOM   429  C CA  . TYR A 1 50  ? -40.418 -10.659 -27.531 1.00 14.03 ? 56  TYR B CA  1 
ATOM   430  C C   . TYR A 1 50  ? -39.476 -9.509  -27.840 1.00 13.04 ? 56  TYR B C   1 
ATOM   431  O O   . TYR A 1 50  ? -38.941 -9.445  -28.958 1.00 14.03 ? 56  TYR B O   1 
ATOM   432  C CB  . TYR A 1 50  ? -39.607 -11.789 -26.895 1.00 13.92 ? 56  TYR B CB  1 
ATOM   433  C CG  . TYR A 1 50  ? -40.308 -13.114 -26.776 1.00 14.66 ? 56  TYR B CG  1 
ATOM   434  C CD1 . TYR A 1 50  ? -41.318 -13.290 -25.843 1.00 17.07 ? 56  TYR B CD1 1 
ATOM   435  C CD2 . TYR A 1 50  ? -40.002 -14.184 -27.590 1.00 15.48 ? 56  TYR B CD2 1 
ATOM   436  C CE1 . TYR A 1 50  ? -41.994 -14.500 -25.699 1.00 19.36 ? 56  TYR B CE1 1 
ATOM   437  C CE2 . TYR A 1 50  ? -40.705 -15.381 -27.509 1.00 17.59 ? 56  TYR B CE2 1 
ATOM   438  C CZ  . TYR A 1 50  ? -41.685 -15.546 -26.544 1.00 17.68 ? 56  TYR B CZ  1 
ATOM   439  O OH  . TYR A 1 50  ? -42.317 -16.765 -26.485 1.00 19.07 ? 56  TYR B OH  1 
ATOM   440  N N   . PRO A 1 51  ? -39.150 -8.655  -26.855 1.00 12.85 ? 57  PRO B N   1 
ATOM   441  C CA  . PRO A 1 51  ? -38.291 -7.478  -27.093 1.00 12.99 ? 57  PRO B CA  1 
ATOM   442  C C   . PRO A 1 51  ? -36.781 -7.798  -27.074 1.00 13.28 ? 57  PRO B C   1 
ATOM   443  O O   . PRO A 1 51  ? -36.030 -7.279  -26.263 1.00 13.56 ? 57  PRO B O   1 
ATOM   444  C CB  . PRO A 1 51  ? -38.661 -6.506  -25.932 1.00 15.21 ? 57  PRO B CB  1 
ATOM   445  C CG  . PRO A 1 51  ? -39.849 -7.133  -25.255 1.00 14.87 ? 57  PRO B CG  1 
ATOM   446  C CD  . PRO A 1 51  ? -39.773 -8.605  -25.539 1.00 13.02 ? 57  PRO B CD  1 
ATOM   447  N N   . MET A 1 52  ? -36.403 -8.683  -28.014 1.00 12.86 ? 58  MET B N   1 
ATOM   448  C CA  . MET A 1 52  ? -35.031 -9.257  -28.092 1.00 11.26 ? 58  MET B CA  1 
ATOM   449  C C   . MET A 1 52  ? -34.235 -8.662  -29.246 1.00 11.48 ? 58  MET B C   1 
ATOM   450  O O   . MET A 1 52  ? -34.771 -8.198  -30.295 1.00 12.71 ? 58  MET B O   1 
ATOM   451  C CB  . MET A 1 52  ? -35.119 -10.780 -28.264 1.00 11.88 ? 58  MET B CB  1 
ATOM   452  C CG  . MET A 1 52  ? -35.713 -11.466 -27.086 1.00 11.30 ? 58  MET B CG  1 
ATOM   453  S SD  . MET A 1 52  ? -36.214 -13.174 -27.475 1.00 13.64 ? 58  MET B SD  1 
ATOM   454  C CE  . MET A 1 52  ? -36.786 -13.763 -25.896 1.00 13.62 ? 58  MET B CE  1 
ATOM   455  N N   . VAL A 1 53  ? -32.912 -8.707  -29.091 1.00 11.24 ? 59  VAL B N   1 
ATOM   456  C CA  . VAL A 1 53  ? -31.923 -8.267  -30.113 1.00 12.05 ? 59  VAL B CA  1 
ATOM   457  C C   . VAL A 1 53  ? -30.625 -9.057  -29.890 1.00 12.90 ? 59  VAL B C   1 
ATOM   458  O O   . VAL A 1 53  ? -30.340 -9.422  -28.727 1.00 12.67 ? 59  VAL B O   1 
ATOM   459  C CB  . VAL A 1 53  ? -31.741 -6.724  -30.075 1.00 12.19 ? 59  VAL B CB  1 
ATOM   460  C CG1 . VAL A 1 53  ? -31.213 -6.233  -28.738 1.00 13.02 ? 59  VAL B CG1 1 
ATOM   461  C CG2 . VAL A 1 53  ? -30.889 -6.203  -31.225 1.00 12.70 ? 59  VAL B CG2 1 
ATOM   462  N N   . LEU A 1 54  ? -29.864 -9.238  -30.946 1.00 12.81 ? 60  LEU B N   1 
ATOM   463  C CA  . LEU A 1 54  ? -28.535 -9.890  -30.903 1.00 12.45 ? 60  LEU B CA  1 
ATOM   464  C C   . LEU A 1 54  ? -27.429 -8.874  -31.045 1.00 13.77 ? 60  LEU B C   1 
ATOM   465  O O   . LEU A 1 54  ? -27.555 -7.786  -31.715 1.00 13.80 ? 60  LEU B O   1 
ATOM   466  C CB  . LEU A 1 54  ? -28.395 -10.952 -31.990 1.00 12.16 ? 60  LEU B CB  1 
ATOM   467  C CG  . LEU A 1 54  ? -29.470 -12.014 -32.021 1.00 12.96 ? 60  LEU B CG  1 
ATOM   468  C CD1 . LEU A 1 54  ? -29.159 -13.122 -33.022 1.00 15.34 ? 60  LEU B CD1 1 
ATOM   469  C CD2 . LEU A 1 54  ? -29.698 -12.632 -30.638 1.00 13.93 ? 60  LEU B CD2 1 
ATOM   470  N N   . GLY A 1 55  ? -26.287 -9.193  -30.446 1.00 12.77 ? 61  GLY B N   1 
ATOM   471  C CA  . GLY A 1 55  ? -25.022 -8.521  -30.804 1.00 13.21 ? 61  GLY B CA  1 
ATOM   472  C C   . GLY A 1 55  ? -24.630 -8.830  -32.242 1.00 13.80 ? 61  GLY B C   1 
ATOM   473  O O   . GLY A 1 55  ? -24.955 -9.916  -32.729 1.00 14.56 ? 61  GLY B O   1 
ATOM   474  N N   . ALA A 1 56  ? -23.824 -7.964  -32.834 1.00 14.59 ? 62  ALA B N   1 
ATOM   475  C CA  . ALA A 1 56  ? -23.340 -8.129  -34.225 1.00 16.27 ? 62  ALA B CA  1 
ATOM   476  C C   . ALA A 1 56  ? -22.221 -9.180  -34.256 1.00 17.30 ? 62  ALA B C   1 
ATOM   477  O O   . ALA A 1 56  ? -22.074 -9.886  -35.263 1.00 20.20 ? 62  ALA B O   1 
ATOM   478  C CB  . ALA A 1 56  ? -22.863 -6.788  -34.693 1.00 17.94 ? 62  ALA B CB  1 
ATOM   479  N N   . GLN A 1 57  ? -21.474 -9.276  -33.178 1.00 16.62 ? 63  GLN B N   1 
ATOM   480  C CA  . GLN A 1 57  ? -20.268 -10.146 -33.158 1.00 16.57 ? 63  GLN B CA  1 
ATOM   481  C C   . GLN A 1 57  ? -20.701 -11.614 -33.165 1.00 17.97 ? 63  GLN B C   1 
ATOM   482  O O   . GLN A 1 57  ? -21.706 -11.991 -32.512 1.00 17.97 ? 63  GLN B O   1 
ATOM   483  C CB  . GLN A 1 57  ? -19.413 -9.822  -31.922 1.00 18.46 ? 63  GLN B CB  1 
ATOM   484  C CG  . GLN A 1 57  ? -18.725 -8.464  -31.966 1.00 20.86 ? 63  GLN B CG  1 
ATOM   485  C CD  . GLN A 1 57  ? -19.697 -7.296  -31.888 1.00 20.83 ? 63  GLN B CD  1 
ATOM   486  O OE1 . GLN A 1 57  ? -20.662 -7.351  -31.139 1.00 18.78 ? 63  GLN B OE1 1 
ATOM   487  N NE2 . GLN A 1 57  ? -19.434 -6.214  -32.590 1.00 23.49 ? 63  GLN B NE2 1 
ATOM   488  N N   . ARG A 1 58  ? -19.974 -12.471 -33.889 1.00 17.40 ? 64  ARG B N   1 
ATOM   489  C CA  . ARG A 1 58  ? -20.127 -13.938 -33.862 1.00 17.24 ? 64  ARG B CA  1 
ATOM   490  C C   . ARG A 1 58  ? -18.851 -14.560 -33.298 1.00 16.69 ? 64  ARG B C   1 
ATOM   491  O O   . ARG A 1 58  ? -17.742 -14.120 -33.657 1.00 18.96 ? 64  ARG B O   1 
ATOM   492  C CB  . ARG A 1 58  ? -20.281 -14.511 -35.282 1.00 21.28 ? 64  ARG B CB  1 
ATOM   493  C CG  . ARG A 1 58  ? -21.664 -14.424 -35.922 1.00 30.34 ? 64  ARG B CG  1 
ATOM   494  C CD  . ARG A 1 58  ? -22.233 -13.019 -35.933 1.00 31.35 ? 64  ARG B CD  1 
ATOM   495  N NE  . ARG A 1 58  ? -23.179 -12.499 -36.936 1.00 37.64 ? 64  ARG B NE  1 
ATOM   496  C CZ  . ARG A 1 58  ? -23.799 -13.162 -37.912 1.00 37.77 ? 64  ARG B CZ  1 
ATOM   497  N NH1 . ARG A 1 58  ? -24.632 -12.506 -38.700 1.00 41.96 ? 64  ARG B NH1 1 
ATOM   498  N NH2 . ARG A 1 58  ? -23.626 -14.453 -38.105 1.00 42.53 ? 64  ARG B NH2 1 
ATOM   499  N N   . PHE A 1 59  ? -18.979 -15.518 -32.397 1.00 15.73 ? 65  PHE B N   1 
ATOM   500  C CA  . PHE A 1 59  ? -17.821 -16.158 -31.716 1.00 15.36 ? 65  PHE B CA  1 
ATOM   501  C C   . PHE A 1 59  ? -17.868 -17.651 -32.004 1.00 14.41 ? 65  PHE B C   1 
ATOM   502  O O   . PHE A 1 59  ? -18.888 -18.287 -31.784 1.00 14.31 ? 65  PHE B O   1 
ATOM   503  C CB  . PHE A 1 59  ? -17.905 -15.896 -30.195 1.00 17.58 ? 65  PHE B CB  1 
ATOM   504  C CG  . PHE A 1 59  ? -17.895 -14.425 -29.842 1.00 19.00 ? 65  PHE B CG  1 
ATOM   505  C CD1 . PHE A 1 59  ? -16.873 -13.622 -30.317 1.00 21.81 ? 65  PHE B CD1 1 
ATOM   506  C CD2 . PHE A 1 59  ? -18.885 -13.846 -29.077 1.00 27.07 ? 65  PHE B CD2 1 
ATOM   507  C CE1 . PHE A 1 59  ? -16.811 -12.269 -30.023 1.00 24.67 ? 65  PHE B CE1 1 
ATOM   508  C CE2 . PHE A 1 59  ? -18.804 -12.489 -28.759 1.00 20.62 ? 65  PHE B CE2 1 
ATOM   509  C CZ  . PHE A 1 59  ? -17.803 -11.717 -29.271 1.00 22.21 ? 65  PHE B CZ  1 
ATOM   510  N N   A SER A 1 60  ? -16.751 -18.219 -32.472 0.25 14.39 ? 66  SER B N   1 
ATOM   511  N N   B SER A 1 60  ? -16.752 -18.217 -32.484 0.25 14.59 ? 66  SER B N   1 
ATOM   512  C CA  A SER A 1 60  ? -16.644 -19.669 -32.779 0.25 15.03 ? 66  SER B CA  1 
ATOM   513  C CA  B SER A 1 60  ? -16.610 -19.669 -32.780 0.25 15.42 ? 66  SER B CA  1 
ATOM   514  C C   A SER A 1 60  ? -15.411 -20.290 -32.096 0.25 15.14 ? 66  SER B C   1 
ATOM   515  C C   B SER A 1 60  ? -15.326 -20.234 -32.172 0.25 15.83 ? 66  SER B C   1 
ATOM   516  O O   A SER A 1 60  ? -15.260 -21.529 -32.169 0.25 14.68 ? 66  SER B O   1 
ATOM   517  O O   B SER A 1 60  ? -14.904 -21.321 -32.604 0.25 15.13 ? 66  SER B O   1 
ATOM   518  C CB  A SER A 1 60  ? -16.685 -19.885 -34.282 0.25 15.41 ? 66  SER B CB  1 
ATOM   519  C CB  B SER A 1 60  ? -16.602 -19.909 -34.254 0.25 15.61 ? 66  SER B CB  1 
ATOM   520  O OG  A SER A 1 60  ? -18.035 -19.742 -34.771 0.25 15.86 ? 66  SER B OG  1 
ATOM   521  O OG  B SER A 1 60  ? -15.569 -19.165 -34.848 0.25 16.19 ? 66  SER B OG  1 
ATOM   522  N N   A SER A 1 61  ? -14.618 -19.480 -31.384 0.25 14.88 ? 67  SER B N   1 
ATOM   523  N N   B SER A 1 61  ? -14.726 -19.522 -31.222 0.25 16.30 ? 67  SER B N   1 
ATOM   524  C CA  A SER A 1 61  ? -13.422 -19.924 -30.619 0.25 15.73 ? 67  SER B CA  1 
ATOM   525  C CA  B SER A 1 61  ? -13.445 -19.918 -30.595 0.25 17.79 ? 67  SER B CA  1 
ATOM   526  C C   A SER A 1 61  ? -13.151 -18.943 -29.478 0.25 16.57 ? 67  SER B C   1 
ATOM   527  C C   B SER A 1 61  ? -13.043 -18.879 -29.553 0.25 17.73 ? 67  SER B C   1 
ATOM   528  O O   A SER A 1 61  ? -13.807 -17.893 -29.449 0.25 16.55 ? 67  SER B O   1 
ATOM   529  O O   B SER A 1 61  ? -13.448 -17.707 -29.707 0.25 16.52 ? 67  SER B O   1 
ATOM   530  C CB  A SER A 1 61  ? -12.216 -20.039 -31.530 0.25 15.65 ? 67  SER B CB  1 
ATOM   531  C CB  B SER A 1 61  ? -12.376 -20.063 -31.648 0.25 19.22 ? 67  SER B CB  1 
ATOM   532  O OG  A SER A 1 61  ? -11.813 -18.761 -31.984 0.25 15.24 ? 67  SER B OG  1 
ATOM   533  O OG  B SER A 1 61  ? -11.145 -20.405 -31.041 0.25 21.89 ? 67  SER B OG  1 
ATOM   534  N N   . GLY A 1 62  ? -12.210 -19.276 -28.589 1.00 18.05 ? 68  GLY B N   1 
ATOM   535  C CA  . GLY A 1 62  ? -11.616 -18.287 -27.679 1.00 18.96 ? 68  GLY B CA  1 
ATOM   536  C C   . GLY A 1 62  ? -12.432 -18.041 -26.421 1.00 15.82 ? 68  GLY B C   1 
ATOM   537  O O   . GLY A 1 62  ? -13.474 -18.711 -26.171 1.00 16.37 ? 68  GLY B O   1 
ATOM   538  N N   . LYS A 1 63  ? -11.948 -17.045 -25.717 1.00 16.25 ? 69  LYS B N   1 
ATOM   539  C CA  . LYS A 1 63  ? -12.515 -16.586 -24.457 1.00 16.09 ? 69  LYS B CA  1 
ATOM   540  C C   . LYS A 1 63  ? -12.948 -15.145 -24.686 1.00 14.88 ? 69  LYS B C   1 
ATOM   541  O O   . LYS A 1 63  ? -12.180 -14.352 -25.203 1.00 16.56 ? 69  LYS B O   1 
ATOM   542  C CB  . LYS A 1 63  ? -11.481 -16.743 -23.348 1.00 17.45 ? 69  LYS B CB  1 
ATOM   543  C CG  . LYS A 1 63  ? -11.112 -18.185 -22.998 1.00 18.03 ? 69  LYS B CG  1 
ATOM   544  C CD  . LYS A 1 63  ? -9.974  -18.268 -21.930 1.00 21.24 ? 69  LYS B CD  1 
ATOM   545  C CE  . LYS A 1 63  ? -9.586  -19.693 -21.600 1.00 24.56 ? 69  LYS B CE  1 
ATOM   546  N NZ  . LYS A 1 63  ? -8.513  -19.715 -20.581 1.00 28.79 ? 69  LYS B NZ  1 
ATOM   547  N N   . MET A 1 64  ? -14.170 -14.816 -24.261 1.00 14.11 ? 70  MET B N   1 
ATOM   548  C CA  . MET A 1 64  ? -14.803 -13.500 -24.462 1.00 14.77 ? 70  MET B CA  1 
ATOM   549  C C   . MET A 1 64  ? -15.465 -13.038 -23.165 1.00 13.29 ? 70  MET B C   1 
ATOM   550  O O   . MET A 1 64  ? -15.998 -13.864 -22.453 1.00 15.41 ? 70  MET B O   1 
ATOM   551  C CB  . MET A 1 64  ? -15.905 -13.630 -25.498 1.00 14.28 ? 70  MET B CB  1 
ATOM   552  C CG  . MET A 1 64  ? -15.419 -13.747 -26.927 1.00 15.60 ? 70  MET B CG  1 
ATOM   553  S SD  . MET A 1 64  ? -14.704 -15.319 -27.467 1.00 18.41 ? 70  MET B SD  1 
ATOM   554  C CE  . MET A 1 64  ? -15.926 -16.548 -27.078 1.00 17.45 ? 70  MET B CE  1 
ATOM   555  N N   . TYR A 1 65  ? -15.426 -11.751 -22.884 1.00 13.95 ? 71  TYR B N   1 
ATOM   556  C CA  . TYR A 1 65  ? -16.032 -11.179 -21.656 1.00 14.27 ? 71  TYR B CA  1 
ATOM   557  C C   . TYR A 1 65  ? -16.639 -9.832  -22.008 1.00 14.93 ? 71  TYR B C   1 
ATOM   558  O O   . TYR A 1 65  ? -16.025 -9.034  -22.786 1.00 15.76 ? 71  TYR B O   1 
ATOM   559  C CB  . TYR A 1 65  ? -14.985 -11.013 -20.545 1.00 15.70 ? 71  TYR B CB  1 
ATOM   560  C CG  . TYR A 1 65  ? -15.510 -10.407 -19.272 1.00 15.36 ? 71  TYR B CG  1 
ATOM   561  C CD1 . TYR A 1 65  ? -16.264 -11.154 -18.381 1.00 16.20 ? 71  TYR B CD1 1 
ATOM   562  C CD2 . TYR A 1 65  ? -15.328 -9.057  -19.017 1.00 16.14 ? 71  TYR B CD2 1 
ATOM   563  C CE1 . TYR A 1 65  ? -16.782 -10.589 -17.217 1.00 16.43 ? 71  TYR B CE1 1 
ATOM   564  C CE2 . TYR A 1 65  ? -15.840 -8.473  -17.863 1.00 15.55 ? 71  TYR B CE2 1 
ATOM   565  C CZ  . TYR A 1 65  ? -16.565 -9.234  -16.973 1.00 15.74 ? 71  TYR B CZ  1 
ATOM   566  O OH  . TYR A 1 65  ? -17.034 -8.609  -15.850 1.00 18.44 ? 71  TYR B OH  1 
ATOM   567  N N   . TRP A 1 66  ? -17.863 -9.593  -21.552 1.00 12.40 ? 72  TRP B N   1 
ATOM   568  C CA  . TRP A 1 66  ? -18.452 -8.238  -21.663 1.00 13.22 ? 72  TRP B CA  1 
ATOM   569  C C   . TRP A 1 66  ? -19.360 -7.965  -20.451 1.00 13.76 ? 72  TRP B C   1 
ATOM   570  O O   . TRP A 1 66  ? -19.668 -8.899  -19.691 1.00 14.41 ? 72  TRP B O   1 
ATOM   571  C CB  . TRP A 1 66  ? -19.185 -8.040  -23.011 1.00 12.54 ? 72  TRP B CB  1 
ATOM   572  C CG  . TRP A 1 66  ? -20.360 -8.929  -23.266 1.00 12.93 ? 72  TRP B CG  1 
ATOM   573  C CD1 . TRP A 1 66  ? -21.694 -8.637  -23.064 1.00 12.83 ? 72  TRP B CD1 1 
ATOM   574  C CD2 . TRP A 1 66  ? -20.354 -10.253 -23.812 1.00 13.63 ? 72  TRP B CD2 1 
ATOM   575  N NE1 . TRP A 1 66  ? -22.479 -9.672  -23.484 1.00 13.36 ? 72  TRP B NE1 1 
ATOM   576  C CE2 . TRP A 1 66  ? -21.687 -10.701 -23.902 1.00 13.79 ? 72  TRP B CE2 1 
ATOM   577  C CE3 . TRP A 1 66  ? -19.326 -11.102 -24.248 1.00 15.38 ? 72  TRP B CE3 1 
ATOM   578  C CZ2 . TRP A 1 66  ? -22.020 -11.938 -24.430 1.00 15.19 ? 72  TRP B CZ2 1 
ATOM   579  C CZ3 . TRP A 1 66  ? -19.649 -12.352 -24.712 1.00 17.58 ? 72  TRP B CZ3 1 
ATOM   580  C CH2 . TRP A 1 66  ? -20.973 -12.757 -24.810 1.00 16.00 ? 72  TRP B CH2 1 
ATOM   581  N N   . GLU A 1 67  ? -19.778 -6.711  -20.282 1.00 14.09 ? 73  GLU B N   1 
ATOM   582  C CA  . GLU A 1 67  ? -20.608 -6.286  -19.126 1.00 14.14 ? 73  GLU B CA  1 
ATOM   583  C C   . GLU A 1 67  ? -21.814 -5.502  -19.619 1.00 13.94 ? 73  GLU B C   1 
ATOM   584  O O   . GLU A 1 67  ? -21.697 -4.798  -20.620 1.00 14.27 ? 73  GLU B O   1 
ATOM   585  C CB  . GLU A 1 67  ? -19.793 -5.420  -18.170 1.00 14.92 ? 73  GLU B CB  1 
ATOM   586  C CG  . GLU A 1 67  ? -18.646 -6.221  -17.540 1.00 18.03 ? 73  GLU B CG  1 
ATOM   587  C CD  . GLU A 1 67  ? -17.814 -5.483  -16.502 1.00 22.35 ? 73  GLU B CD  1 
ATOM   588  O OE1 . GLU A 1 67  ? -17.988 -4.221  -16.408 1.00 25.14 ? 73  GLU B OE1 1 
ATOM   589  O OE2 . GLU A 1 67  ? -16.994 -6.153  -15.762 1.00 20.52 ? 73  GLU B OE2 1 
ATOM   590  N N   . VAL A 1 68  ? -22.944 -5.712  -18.954 1.00 13.24 ? 74  VAL B N   1 
ATOM   591  C CA  . VAL A 1 68  ? -24.225 -5.061  -19.282 1.00 13.56 ? 74  VAL B CA  1 
ATOM   592  C C   . VAL A 1 68  ? -24.792 -4.378  -18.049 1.00 12.86 ? 74  VAL B C   1 
ATOM   593  O O   . VAL A 1 68  ? -24.876 -5.001  -16.981 1.00 14.17 ? 74  VAL B O   1 
ATOM   594  C CB  . VAL A 1 68  ? -25.237 -6.070  -19.835 1.00 13.62 ? 74  VAL B CB  1 
ATOM   595  C CG1 . VAL A 1 68  ? -26.472 -5.351  -20.337 1.00 14.58 ? 74  VAL B CG1 1 
ATOM   596  C CG2 . VAL A 1 68  ? -24.623 -6.960  -20.896 1.00 14.94 ? 74  VAL B CG2 1 
ATOM   597  N N   . ASP A 1 69  ? -25.212 -3.117  -18.210 1.00 13.11 ? 75  ASP B N   1 
ATOM   598  C CA  . ASP A 1 69  ? -25.892 -2.332  -17.155 1.00 14.42 ? 75  ASP B CA  1 
ATOM   599  C C   . ASP A 1 69  ? -27.386 -2.613  -17.205 1.00 12.50 ? 75  ASP B C   1 
ATOM   600  O O   . ASP A 1 69  ? -27.994 -2.526  -18.343 1.00 13.23 ? 75  ASP B O   1 
ATOM   601  C CB  . ASP A 1 69  ? -25.615 -0.833  -17.335 1.00 16.54 ? 75  ASP B CB  1 
ATOM   602  C CG  . ASP A 1 69  ? -25.982 -0.010  -16.104 1.00 18.52 ? 75  ASP B CG  1 
ATOM   603  O OD1 . ASP A 1 69  ? -27.120 -0.007  -15.748 1.00 18.65 ? 75  ASP B OD1 1 
ATOM   604  O OD2 . ASP A 1 69  ? -25.071 0.485   -15.425 1.00 24.74 ? 75  ASP B OD2 1 
ATOM   605  N N   . VAL A 1 70  ? -27.957 -3.005  -16.059 1.00 13.00 ? 76  VAL B N   1 
ATOM   606  C CA  . VAL A 1 70  ? -29.394 -3.349  -15.901 1.00 13.89 ? 76  VAL B CA  1 
ATOM   607  C C   . VAL A 1 70  ? -30.080 -2.462  -14.845 1.00 14.65 ? 76  VAL B C   1 
ATOM   608  O O   . VAL A 1 70  ? -31.170 -2.794  -14.382 1.00 14.76 ? 76  VAL B O   1 
ATOM   609  C CB  . VAL A 1 70  ? -29.548 -4.860  -15.579 1.00 13.79 ? 76  VAL B CB  1 
ATOM   610  C CG1 . VAL A 1 70  ? -28.963 -5.759  -16.690 1.00 13.82 ? 76  VAL B CG1 1 
ATOM   611  C CG2 . VAL A 1 70  ? -28.978 -5.255  -14.224 1.00 14.34 ? 76  VAL B CG2 1 
ATOM   612  N N   . THR A 1 71  ? -29.461 -1.338  -14.514 1.00 14.83 ? 77  THR B N   1 
ATOM   613  C CA  . THR A 1 71  ? -29.943 -0.416  -13.454 1.00 15.99 ? 77  THR B CA  1 
ATOM   614  C C   . THR A 1 71  ? -31.438 -0.109  -13.643 1.00 16.41 ? 77  THR B C   1 
ATOM   615  O O   . THR A 1 71  ? -31.863 0.258   -14.755 1.00 16.05 ? 77  THR B O   1 
ATOM   616  C CB  . THR A 1 71  ? -29.147 0.884   -13.470 1.00 16.12 ? 77  THR B CB  1 
ATOM   617  O OG1 . THR A 1 71  ? -27.761 0.622   -13.216 1.00 18.36 ? 77  THR B OG1 1 
ATOM   618  C CG2 . THR A 1 71  ? -29.716 1.813   -12.429 1.00 19.15 ? 77  THR B CG2 1 
ATOM   619  N N   . GLN A 1 72  ? -32.173 -0.255  -12.548 1.00 19.78 ? 78  GLN B N   1 
ATOM   620  C CA  . GLN A 1 72  ? -33.612 0.057   -12.344 1.00 23.56 ? 78  GLN B CA  1 
ATOM   621  C C   . GLN A 1 72  ? -34.542 -0.760  -13.242 1.00 24.56 ? 78  GLN B C   1 
ATOM   622  O O   . GLN A 1 72  ? -35.772 -0.487  -13.233 1.00 26.10 ? 78  GLN B O   1 
ATOM   623  C CB  . GLN A 1 72  ? -33.859 1.563   -12.477 1.00 30.32 ? 78  GLN B CB  1 
ATOM   624  C CG  . GLN A 1 72  ? -33.598 2.160   -13.853 1.00 38.74 ? 78  GLN B CG  1 
ATOM   625  C CD  . GLN A 1 72  ? -34.510 3.312   -14.219 1.00 43.33 ? 78  GLN B CD  1 
ATOM   626  O OE1 . GLN A 1 72  ? -34.060 4.341   -14.731 1.00 47.18 ? 78  GLN B OE1 1 
ATOM   627  N NE2 . GLN A 1 72  ? -35.812 3.112   -14.039 1.00 47.11 ? 78  GLN B NE2 1 
ATOM   628  N N   . LYS A 1 73  ? -34.082 -1.789  -13.949 1.00 16.53 ? 79  LYS B N   1 
ATOM   629  C CA  . LYS A 1 73  ? -35.052 -2.642  -14.655 1.00 15.84 ? 79  LYS B CA  1 
ATOM   630  C C   . LYS A 1 73  ? -35.714 -3.704  -13.764 1.00 13.68 ? 79  LYS B C   1 
ATOM   631  O O   . LYS A 1 73  ? -35.098 -4.183  -12.776 1.00 16.69 ? 79  LYS B O   1 
ATOM   632  C CB  . LYS A 1 73  ? -34.331 -3.317  -15.819 1.00 15.63 ? 79  LYS B CB  1 
ATOM   633  C CG  . LYS A 1 73  ? -33.885 -2.310  -16.890 1.00 15.48 ? 79  LYS B CG  1 
ATOM   634  C CD  . LYS A 1 73  ? -33.369 -2.955  -18.159 1.00 16.46 ? 79  LYS B CD  1 
ATOM   635  C CE  . LYS A 1 73  ? -34.432 -3.715  -18.922 1.00 15.54 ? 79  LYS B CE  1 
ATOM   636  N NZ  . LYS A 1 73  ? -35.616 -2.870  -19.260 1.00 14.29 ? 79  LYS B NZ  1 
ATOM   637  N N   . GLU A 1 74  ? -36.966 -4.010  -14.072 1.00 12.79 ? 80  GLU B N   1 
ATOM   638  C CA  . GLU A 1 74  ? -37.780 -5.026  -13.376 1.00 13.42 ? 80  GLU B CA  1 
ATOM   639  C C   . GLU A 1 74  ? -37.702 -6.384  -14.068 1.00 13.55 ? 80  GLU B C   1 
ATOM   640  O O   . GLU A 1 74  ? -38.075 -7.399  -13.490 1.00 14.16 ? 80  GLU B O   1 
ATOM   641  C CB  . GLU A 1 74  ? -39.263 -4.612  -13.352 1.00 14.55 ? 80  GLU B CB  1 
ATOM   642  C CG  . GLU A 1 74  ? -39.522 -3.355  -12.552 1.00 16.36 ? 80  GLU B CG  1 
ATOM   643  C CD  . GLU A 1 74  ? -40.997 -2.917  -12.654 1.00 16.96 ? 80  GLU B CD  1 
ATOM   644  O OE1 . GLU A 1 74  ? -41.381 -2.036  -11.854 1.00 21.26 ? 80  GLU B OE1 1 
ATOM   645  O OE2 . GLU A 1 74  ? -41.754 -3.468  -13.532 1.00 19.74 ? 80  GLU B OE2 1 
ATOM   646  N N   . ALA A 1 75  ? -37.320 -6.395  -15.343 1.00 12.62 ? 81  ALA B N   1 
ATOM   647  C CA  . ALA A 1 75  ? -37.324 -7.664  -16.105 1.00 12.69 ? 81  ALA B CA  1 
ATOM   648  C C   . ALA A 1 75  ? -36.334 -7.546  -17.259 1.00 14.23 ? 81  ALA B C   1 
ATOM   649  O O   . ALA A 1 75  ? -36.277 -6.490  -17.920 1.00 13.69 ? 81  ALA B O   1 
ATOM   650  C CB  . ALA A 1 75  ? -38.712 -7.968  -16.655 1.00 13.14 ? 81  ALA B CB  1 
ATOM   651  N N   . TRP A 1 76  ? -35.599 -8.620  -17.521 1.00 11.96 ? 82  TRP B N   1 
ATOM   652  C CA  . TRP A 1 76  ? -34.625 -8.697  -18.643 1.00 12.23 ? 82  TRP B CA  1 
ATOM   653  C C   . TRP A 1 76  ? -34.135 -10.131 -18.745 1.00 12.29 ? 82  TRP B C   1 
ATOM   654  O O   . TRP A 1 76  ? -34.229 -10.874 -17.773 1.00 12.76 ? 82  TRP B O   1 
ATOM   655  C CB  . TRP A 1 76  ? -33.453 -7.730  -18.456 1.00 12.43 ? 82  TRP B CB  1 
ATOM   656  C CG  . TRP A 1 76  ? -32.782 -7.749  -17.119 1.00 12.73 ? 82  TRP B CG  1 
ATOM   657  C CD1 . TRP A 1 76  ? -33.020 -6.891  -16.097 1.00 13.56 ? 82  TRP B CD1 1 
ATOM   658  C CD2 . TRP A 1 76  ? -31.832 -8.704  -16.581 1.00 12.00 ? 82  TRP B CD2 1 
ATOM   659  N NE1 . TRP A 1 76  ? -32.263 -7.188  -14.993 1.00 13.64 ? 82  TRP B NE1 1 
ATOM   660  C CE2 . TRP A 1 76  ? -31.541 -8.333  -15.260 1.00 13.49 ? 82  TRP B CE2 1 
ATOM   661  C CE3 . TRP A 1 76  ? -31.223 -9.869  -17.094 1.00 13.99 ? 82  TRP B CE3 1 
ATOM   662  C CZ2 . TRP A 1 76  ? -30.618 -8.986  -14.458 1.00 13.45 ? 82  TRP B CZ2 1 
ATOM   663  C CZ3 . TRP A 1 76  ? -30.316 -10.542 -16.296 1.00 13.14 ? 82  TRP B CZ3 1 
ATOM   664  C CH2 . TRP A 1 76  ? -30.051 -10.116 -14.995 1.00 14.05 ? 82  TRP B CH2 1 
ATOM   665  N N   . ASP A 1 77  ? -33.614 -10.491 -19.917 1.00 12.08 ? 83  ASP B N   1 
ATOM   666  C CA  . ASP A 1 77  ? -32.852 -11.760 -20.103 1.00 12.29 ? 83  ASP B CA  1 
ATOM   667  C C   . ASP A 1 77  ? -31.476 -11.379 -20.694 1.00 11.99 ? 83  ASP B C   1 
ATOM   668  O O   . ASP A 1 77  ? -31.458 -10.449 -21.571 1.00 11.80 ? 83  ASP B O   1 
ATOM   669  C CB  . ASP A 1 77  ? -33.515 -12.734 -21.058 1.00 13.62 ? 83  ASP B CB  1 
ATOM   670  C CG  . ASP A 1 77  ? -35.024 -12.919 -20.941 1.00 16.10 ? 83  ASP B CG  1 
ATOM   671  O OD1 . ASP A 1 77  ? -35.495 -12.929 -19.852 1.00 20.83 ? 83  ASP B OD1 1 
ATOM   672  O OD2 . ASP A 1 77  ? -35.685 -13.099 -21.980 1.00 18.91 ? 83  ASP B OD2 1 
ATOM   673  N N   . LEU A 1 78  ? -30.373 -12.038 -20.321 1.00 10.58 ? 84  LEU B N   1 
ATOM   674  C CA  . LEU A 1 78  ? -29.032 -11.780 -20.880 1.00 10.89 ? 84  LEU B CA  1 
ATOM   675  C C   . LEU A 1 78  ? -28.325 -13.113 -21.053 1.00 11.04 ? 84  LEU B C   1 
ATOM   676  O O   . LEU A 1 78  ? -28.475 -14.006 -20.213 1.00 10.81 ? 84  LEU B O   1 
ATOM   677  C CB  . LEU A 1 78  ? -28.210 -10.905 -19.944 1.00 10.99 ? 84  LEU B CB  1 
ATOM   678  C CG  . LEU A 1 78  ? -28.607 -9.449  -19.826 1.00 13.00 ? 84  LEU B CG  1 
ATOM   679  C CD1 . LEU A 1 78  ? -27.806 -8.838  -18.708 1.00 13.83 ? 84  LEU B CD1 1 
ATOM   680  C CD2 . LEU A 1 78  ? -28.413 -8.772  -21.154 1.00 13.60 ? 84  LEU B CD2 1 
ATOM   681  N N   . GLY A 1 79  ? -27.487 -13.162 -22.086 1.00 10.27 ? 85  GLY B N   1 
ATOM   682  C CA  . GLY A 1 79  ? -26.495 -14.244 -22.206 1.00 11.50 ? 85  GLY B CA  1 
ATOM   683  C C   . GLY A 1 79  ? -25.982 -14.330 -23.626 1.00 9.93  ? 85  GLY B C   1 
ATOM   684  O O   . GLY A 1 79  ? -25.599 -13.319 -24.212 1.00 10.99 ? 85  GLY B O   1 
ATOM   685  N N   A VAL A 1 80  ? -25.890 -15.564 -24.136 0.25 10.22 ? 86  VAL B N   1 
ATOM   686  N N   B VAL A 1 80  ? -26.010 -15.535 -24.179 0.25 10.65 ? 86  VAL B N   1 
ATOM   687  C CA  A VAL A 1 80  ? -25.515 -15.867 -25.547 0.25 10.53 ? 86  VAL B CA  1 
ATOM   688  C CA  B VAL A 1 80  ? -25.467 -15.808 -25.531 0.25 11.16 ? 86  VAL B CA  1 
ATOM   689  C C   A VAL A 1 80  ? -26.529 -16.827 -26.151 0.25 11.05 ? 86  VAL B C   1 
ATOM   690  C C   B VAL A 1 80  ? -26.334 -16.910 -26.153 0.25 11.38 ? 86  VAL B C   1 
ATOM   691  O O   A VAL A 1 80  ? -27.272 -17.533 -25.427 0.25 11.53 ? 86  VAL B O   1 
ATOM   692  O O   B VAL A 1 80  ? -26.883 -17.737 -25.419 0.25 11.75 ? 86  VAL B O   1 
ATOM   693  C CB  A VAL A 1 80  ? -24.120 -16.504 -25.679 0.25 10.81 ? 86  VAL B CB  1 
ATOM   694  C CB  B VAL A 1 80  ? -23.974 -16.166 -25.385 0.25 12.12 ? 86  VAL B CB  1 
ATOM   695  C CG1 A VAL A 1 80  ? -23.035 -15.506 -25.345 0.25 10.64 ? 86  VAL B CG1 1 
ATOM   696  C CG1 B VAL A 1 80  ? -23.788 -17.513 -24.706 0.25 12.36 ? 86  VAL B CG1 1 
ATOM   697  C CG2 A VAL A 1 80  ? -23.995 -17.761 -24.836 0.25 10.99 ? 86  VAL B CG2 1 
ATOM   698  C CG2 B VAL A 1 80  ? -23.230 -16.110 -26.702 0.25 12.65 ? 86  VAL B CG2 1 
ATOM   699  N N   . CYS A 1 81  ? -26.512 -16.893 -27.474 1.00 11.03 ? 87  CYS B N   1 
ATOM   700  C CA  . CYS A 1 81  ? -27.305 -17.892 -28.174 1.00 12.44 ? 87  CYS B CA  1 
ATOM   701  C C   . CYS A 1 81  ? -26.642 -18.278 -29.474 1.00 12.29 ? 87  CYS B C   1 
ATOM   702  O O   . CYS A 1 81  ? -25.731 -17.568 -29.977 1.00 12.10 ? 87  CYS B O   1 
ATOM   703  C CB  . CYS A 1 81  ? -28.710 -17.391 -28.471 1.00 13.30 ? 87  CYS B CB  1 
ATOM   704  S SG  . CYS A 1 81  ? -28.784 -15.958 -29.583 1.00 14.38 ? 87  CYS B SG  1 
ATOM   705  N N   A ARG A 1 82  ? -27.066 -19.413 -30.001 0.25 12.76 ? 88  ARG B N   1 
ATOM   706  N N   B ARG A 1 82  ? -27.063 -19.412 -30.005 0.25 11.48 ? 88  ARG B N   1 
ATOM   707  C CA  A ARG A 1 82  ? -26.657 -19.851 -31.357 0.25 13.95 ? 88  ARG B CA  1 
ATOM   708  C CA  B ARG A 1 82  ? -26.595 -19.892 -31.331 0.25 11.72 ? 88  ARG B CA  1 
ATOM   709  C C   A ARG A 1 82  ? -27.058 -18.791 -32.378 0.25 13.34 ? 88  ARG B C   1 
ATOM   710  C C   B ARG A 1 82  ? -27.101 -18.930 -32.422 0.25 12.21 ? 88  ARG B C   1 
ATOM   711  O O   A ARG A 1 82  ? -28.109 -18.163 -32.220 0.25 13.17 ? 88  ARG B O   1 
ATOM   712  O O   B ARG A 1 82  ? -28.277 -18.499 -32.355 0.25 11.78 ? 88  ARG B O   1 
ATOM   713  C CB  A ARG A 1 82  ? -27.328 -21.175 -31.715 0.25 15.76 ? 88  ARG B CB  1 
ATOM   714  C CB  B ARG A 1 82  ? -27.065 -21.341 -31.521 0.25 11.52 ? 88  ARG B CB  1 
ATOM   715  C CG  A ARG A 1 82  ? -26.774 -22.332 -30.912 0.25 17.31 ? 88  ARG B CG  1 
ATOM   716  C CG  B ARG A 1 82  ? -26.442 -22.035 -32.721 0.25 11.18 ? 88  ARG B CG  1 
ATOM   717  C CD  A ARG A 1 82  ? -27.371 -23.650 -31.335 0.25 18.99 ? 88  ARG B CD  1 
ATOM   718  C CD  B ARG A 1 82  ? -26.988 -23.419 -32.964 0.25 10.81 ? 88  ARG B CD  1 
ATOM   719  N NE  A ARG A 1 82  ? -26.992 -24.695 -30.397 0.25 18.61 ? 88  ARG B NE  1 
ATOM   720  N NE  B ARG A 1 82  ? -26.862 -24.245 -31.788 0.25 10.87 ? 88  ARG B NE  1 
ATOM   721  C CZ  A ARG A 1 82  ? -27.805 -25.661 -30.015 0.25 18.97 ? 88  ARG B CZ  1 
ATOM   722  C CZ  B ARG A 1 82  ? -27.876 -24.844 -31.156 0.25 10.64 ? 88  ARG B CZ  1 
ATOM   723  N NH1 A ARG A 1 82  ? -29.045 -25.684 -30.470 0.25 18.68 ? 88  ARG B NH1 1 
ATOM   724  N NH1 B ARG A 1 82  ? -29.102 -24.756 -31.613 0.25 12.07 ? 88  ARG B NH1 1 
ATOM   725  N NH2 A ARG A 1 82  ? -27.379 -26.593 -29.183 0.25 20.30 ? 88  ARG B NH2 1 
ATOM   726  N NH2 B ARG A 1 82  ? -27.644 -25.521 -30.048 0.25 10.64 ? 88  ARG B NH2 1 
ATOM   727  N N   . ASP A 1 83  ? -26.273 -18.648 -33.436 1.00 13.49 ? 89  ASP B N   1 
ATOM   728  C CA  . ASP A 1 83  ? -26.679 -17.726 -34.531 1.00 15.25 ? 89  ASP B CA  1 
ATOM   729  C C   . ASP A 1 83  ? -27.987 -18.220 -35.152 1.00 16.59 ? 89  ASP B C   1 
ATOM   730  O O   . ASP A 1 83  ? -28.736 -17.375 -35.709 1.00 20.14 ? 89  ASP B O   1 
ATOM   731  C CB  . ASP A 1 83  ? -25.545 -17.637 -35.541 1.00 17.15 ? 89  ASP B CB  1 
ATOM   732  C CG  . ASP A 1 83  ? -25.160 -18.903 -36.262 1.00 19.65 ? 89  ASP B CG  1 
ATOM   733  O OD1 . ASP A 1 83  ? -25.591 -20.008 -35.877 1.00 21.85 ? 89  ASP B OD1 1 
ATOM   734  O OD2 . ASP A 1 83  ? -24.334 -18.744 -37.218 1.00 23.23 ? 89  ASP B OD2 1 
ATOM   735  N N   . SER A 1 84  ? -28.302 -19.516 -35.128 1.00 14.30 ? 90  SER B N   1 
ATOM   736  C CA  . SER A 1 84  ? -29.469 -20.078 -35.840 1.00 16.67 ? 90  SER B CA  1 
ATOM   737  C C   . SER A 1 84  ? -30.715 -20.242 -34.951 1.00 14.81 ? 90  SER B C   1 
ATOM   738  O O   . SER A 1 84  ? -31.617 -20.988 -35.344 1.00 16.54 ? 90  SER B O   1 
ATOM   739  C CB  . SER A 1 84  ? -29.077 -21.390 -36.475 1.00 18.13 ? 90  SER B CB  1 
ATOM   740  O OG  . SER A 1 84  ? -28.601 -22.291 -35.520 1.00 19.24 ? 90  SER B OG  1 
ATOM   741  N N   . VAL A 1 85  ? -30.779 -19.613 -33.764 1.00 14.07 ? 91  VAL B N   1 
ATOM   742  C CA  . VAL A 1 85  ? -32.010 -19.713 -32.940 1.00 14.95 ? 91  VAL B CA  1 
ATOM   743  C C   . VAL A 1 85  ? -33.224 -19.246 -33.749 1.00 15.30 ? 91  VAL B C   1 
ATOM   744  O O   . VAL A 1 85  ? -33.127 -18.292 -34.575 1.00 15.73 ? 91  VAL B O   1 
ATOM   745  C CB  . VAL A 1 85  ? -31.905 -18.974 -31.592 1.00 13.73 ? 91  VAL B CB  1 
ATOM   746  C CG1 . VAL A 1 85  ? -30.877 -19.646 -30.700 1.00 14.07 ? 91  VAL B CG1 1 
ATOM   747  C CG2 . VAL A 1 85  ? -31.673 -17.489 -31.709 1.00 13.55 ? 91  VAL B CG2 1 
ATOM   748  N N   . GLN A 1 86  ? -34.349 -19.845 -33.409 1.00 16.38 ? 92  GLN B N   1 
ATOM   749  C CA  . GLN A 1 86  ? -35.697 -19.425 -33.899 1.00 18.18 ? 92  GLN B CA  1 
ATOM   750  C C   . GLN A 1 86  ? -35.924 -17.936 -33.584 1.00 15.93 ? 92  GLN B C   1 
ATOM   751  O O   . GLN A 1 86  ? -35.628 -17.493 -32.477 1.00 16.89 ? 92  GLN B O   1 
ATOM   752  C CB  . GLN A 1 86  ? -36.726 -20.358 -33.253 1.00 19.89 ? 92  GLN B CB  1 
ATOM   753  C CG  . GLN A 1 86  ? -38.203 -20.013 -33.437 1.00 23.02 ? 92  GLN B CG  1 
ATOM   754  C CD  . GLN A 1 86  ? -39.101 -20.874 -32.562 1.00 25.71 ? 92  GLN B CD  1 
ATOM   755  O OE1 . GLN A 1 86  ? -38.672 -21.857 -31.936 1.00 29.28 ? 92  GLN B OE1 1 
ATOM   756  N NE2 . GLN A 1 86  ? -40.390 -20.534 -32.485 1.00 27.04 ? 92  GLN B NE2 1 
ATOM   757  N N   . ARG A 1 87  ? -36.501 -17.210 -34.531 1.00 14.64 ? 93  ARG B N   1 
ATOM   758  C CA  . ARG A 1 87  ? -36.793 -15.755 -34.399 1.00 14.35 ? 93  ARG B CA  1 
ATOM   759  C C   . ARG A 1 87  ? -38.309 -15.523 -34.280 1.00 15.61 ? 93  ARG B C   1 
ATOM   760  O O   . ARG A 1 87  ? -38.667 -14.534 -33.631 1.00 16.40 ? 93  ARG B O   1 
ATOM   761  C CB  . ARG A 1 87  ? -36.256 -14.941 -35.573 1.00 15.19 ? 93  ARG B CB  1 
ATOM   762  C CG  . ARG A 1 87  ? -34.779 -15.143 -35.888 1.00 15.06 ? 93  ARG B CG  1 
ATOM   763  C CD  . ARG A 1 87  ? -33.867 -14.933 -34.675 1.00 15.73 ? 93  ARG B CD  1 
ATOM   764  N NE  . ARG A 1 87  ? -32.484 -15.347 -35.023 1.00 17.14 ? 93  ARG B NE  1 
ATOM   765  C CZ  . ARG A 1 87  ? -31.569 -14.624 -35.649 1.00 17.10 ? 93  ARG B CZ  1 
ATOM   766  N NH1 . ARG A 1 87  ? -31.809 -13.377 -35.995 1.00 18.29 ? 93  ARG B NH1 1 
ATOM   767  N NH2 . ARG A 1 87  ? -30.409 -15.169 -35.954 1.00 18.87 ? 93  ARG B NH2 1 
ATOM   768  N N   . LYS A 1 88  ? -39.138 -16.380 -34.871 1.00 16.20 ? 94  LYS B N   1 
ATOM   769  C CA  . LYS A 1 88  ? -40.591 -16.104 -34.997 1.00 16.42 ? 94  LYS B CA  1 
ATOM   770  C C   . LYS A 1 88  ? -41.382 -16.994 -34.063 1.00 18.51 ? 94  LYS B C   1 
ATOM   771  O O   . LYS A 1 88  ? -41.016 -18.194 -33.921 1.00 19.61 ? 94  LYS B O   1 
ATOM   772  C CB  . LYS A 1 88  ? -41.035 -16.293 -36.452 1.00 17.32 ? 94  LYS B CB  1 
ATOM   773  C CG  . LYS A 1 88  ? -40.238 -15.540 -37.489 1.00 19.28 ? 94  LYS B CG  1 
ATOM   774  C CD  . LYS A 1 88  ? -40.134 -14.037 -37.256 1.00 19.12 ? 94  LYS B CD  1 
ATOM   775  C CE  . LYS A 1 88  ? -39.360 -13.378 -38.364 1.00 19.34 ? 94  LYS B CE  1 
ATOM   776  N NZ  . LYS A 1 88  ? -39.261 -11.913 -38.174 1.00 21.03 ? 94  LYS B NZ  1 
ATOM   777  N N   . GLY A 1 89  ? -42.452 -16.472 -33.485 1.00 18.92 ? 95  GLY B N   1 
ATOM   778  C CA  . GLY A 1 89  ? -43.353 -17.273 -32.655 1.00 19.37 ? 95  GLY B CA  1 
ATOM   779  C C   . GLY A 1 89  ? -42.870 -17.456 -31.235 1.00 20.62 ? 95  GLY B C   1 
ATOM   780  O O   . GLY A 1 89  ? -41.889 -16.730 -30.822 1.00 19.95 ? 95  GLY B O   1 
ATOM   781  N N   . GLN A 1 90  ? -43.523 -18.357 -30.504 1.00 20.21 ? 96  GLN B N   1 
ATOM   782  C CA  . GLN A 1 90  ? -43.257 -18.582 -29.075 1.00 22.32 ? 96  GLN B CA  1 
ATOM   783  C C   . GLN A 1 90  ? -42.183 -19.648 -28.918 1.00 20.50 ? 96  GLN B C   1 
ATOM   784  O O   . GLN A 1 90  ? -42.118 -20.572 -29.758 1.00 21.33 ? 96  GLN B O   1 
ATOM   785  C CB  . GLN A 1 90  ? -44.552 -18.982 -28.365 1.00 27.11 ? 96  GLN B CB  1 
ATOM   786  C CG  . GLN A 1 90  ? -45.527 -17.831 -28.269 1.00 34.52 ? 96  GLN B CG  1 
ATOM   787  C CD  . GLN A 1 90  ? -46.914 -18.345 -28.015 1.00 45.46 ? 96  GLN B CD  1 
ATOM   788  O OE1 . GLN A 1 90  ? -47.306 -18.528 -26.863 1.00 55.47 ? 96  GLN B OE1 1 
ATOM   789  N NE2 . GLN A 1 90  ? -47.635 -18.621 -29.097 1.00 47.55 ? 96  GLN B NE2 1 
ATOM   790  N N   . PHE A 1 91  ? -41.304 -19.463 -27.923 1.00 18.43 ? 97  PHE B N   1 
ATOM   791  C CA  . PHE A 1 91  ? -40.233 -20.428 -27.577 1.00 17.76 ? 97  PHE B CA  1 
ATOM   792  C C   . PHE A 1 91  ? -39.741 -20.135 -26.158 1.00 17.25 ? 97  PHE B C   1 
ATOM   793  O O   . PHE A 1 91  ? -39.892 -19.017 -25.636 1.00 19.07 ? 97  PHE B O   1 
ATOM   794  C CB  . PHE A 1 91  ? -39.067 -20.365 -28.567 1.00 16.82 ? 97  PHE B CB  1 
ATOM   795  C CG  . PHE A 1 91  ? -38.456 -19.000 -28.716 1.00 17.37 ? 97  PHE B CG  1 
ATOM   796  C CD1 . PHE A 1 91  ? -37.456 -18.595 -27.847 1.00 18.53 ? 97  PHE B CD1 1 
ATOM   797  C CD2 . PHE A 1 91  ? -38.795 -18.172 -29.766 1.00 18.35 ? 97  PHE B CD2 1 
ATOM   798  C CE1 . PHE A 1 91  ? -36.866 -17.358 -27.990 1.00 16.74 ? 97  PHE B CE1 1 
ATOM   799  C CE2 . PHE A 1 91  ? -38.194 -16.935 -29.914 1.00 17.86 ? 97  PHE B CE2 1 
ATOM   800  C CZ  . PHE A 1 91  ? -37.212 -16.548 -29.038 1.00 17.52 ? 97  PHE B CZ  1 
ATOM   801  N N   A SER A 1 92  ? -39.170 -21.147 -25.509 0.25 18.15 ? 98  SER B N   1 
ATOM   802  N N   B SER A 1 92  ? -39.154 -21.160 -25.541 0.25 17.20 ? 98  SER B N   1 
ATOM   803  C CA  A SER A 1 92  ? -38.537 -21.011 -24.176 0.25 18.39 ? 98  SER B CA  1 
ATOM   804  C CA  B SER A 1 92  ? -38.515 -21.100 -24.206 0.25 16.85 ? 98  SER B CA  1 
ATOM   805  C C   A SER A 1 92  ? -37.033 -20.817 -24.352 0.25 16.82 ? 98  SER B C   1 
ATOM   806  C C   B SER A 1 92  ? -37.023 -20.806 -24.377 0.25 15.96 ? 98  SER B C   1 
ATOM   807  O O   A SER A 1 92  ? -36.453 -21.363 -25.317 0.25 17.14 ? 98  SER B O   1 
ATOM   808  O O   B SER A 1 92  ? -36.437 -21.247 -25.397 0.25 16.29 ? 98  SER B O   1 
ATOM   809  C CB  A SER A 1 92  ? -38.804 -22.193 -23.303 0.25 21.20 ? 98  SER B CB  1 
ATOM   810  C CB  B SER A 1 92  ? -38.726 -22.383 -23.442 0.25 18.12 ? 98  SER B CB  1 
ATOM   811  O OG  A SER A 1 92  ? -38.747 -23.378 -24.072 0.25 24.32 ? 98  SER B OG  1 
ATOM   812  O OG  B SER A 1 92  ? -40.101 -22.532 -23.091 0.25 18.83 ? 98  SER B OG  1 
ATOM   813  N N   . LEU A 1 93  ? -36.440 -20.076 -23.427 1.00 15.81 ? 99  LEU B N   1 
ATOM   814  C CA  . LEU A 1 93  ? -34.985 -19.891 -23.381 1.00 15.50 ? 99  LEU B CA  1 
ATOM   815  C C   . LEU A 1 93  ? -34.392 -21.104 -22.687 1.00 15.88 ? 99  LEU B C   1 
ATOM   816  O O   . LEU A 1 93  ? -34.469 -21.229 -21.475 1.00 16.94 ? 99  LEU B O   1 
ATOM   817  C CB  . LEU A 1 93  ? -34.626 -18.594 -22.656 1.00 16.87 ? 99  LEU B CB  1 
ATOM   818  C CG  . LEU A 1 93  ? -35.093 -17.298 -23.292 1.00 18.20 ? 99  LEU B CG  1 
ATOM   819  C CD1 . LEU A 1 93  ? -34.712 -16.100 -22.428 1.00 18.63 ? 99  LEU B CD1 1 
ATOM   820  C CD2 . LEU A 1 93  ? -34.568 -17.103 -24.705 1.00 18.32 ? 99  LEU B CD2 1 
ATOM   821  N N   . SER A 1 94  ? -33.711 -21.996 -23.413 1.00 15.51 ? 100 SER B N   1 
ATOM   822  C CA  . SER A 1 94  ? -33.141 -23.239 -22.873 1.00 15.50 ? 100 SER B CA  1 
ATOM   823  C C   . SER A 1 94  ? -31.944 -23.600 -23.731 1.00 13.33 ? 100 SER B C   1 
ATOM   824  O O   . SER A 1 94  ? -31.923 -23.266 -24.915 1.00 13.05 ? 100 SER B O   1 
ATOM   825  C CB  . SER A 1 94  ? -34.106 -24.396 -22.860 1.00 17.15 ? 100 SER B CB  1 
ATOM   826  O OG  . SER A 1 94  ? -34.433 -24.766 -24.194 1.00 20.28 ? 100 SER B OG  1 
ATOM   827  N N   . PRO A 1 95  ? -30.994 -24.359 -23.213 1.00 13.31 ? 101 PRO B N   1 
ATOM   828  C CA  . PRO A 1 95  ? -29.893 -24.854 -24.038 1.00 14.54 ? 101 PRO B CA  1 
ATOM   829  C C   . PRO A 1 95  ? -30.367 -25.747 -25.185 1.00 13.80 ? 101 PRO B C   1 
ATOM   830  O O   . PRO A 1 95  ? -29.796 -25.655 -26.313 1.00 14.65 ? 101 PRO B O   1 
ATOM   831  C CB  . PRO A 1 95  ? -28.999 -25.607 -23.054 1.00 15.27 ? 101 PRO B CB  1 
ATOM   832  C CG  . PRO A 1 95  ? -29.270 -24.892 -21.722 1.00 15.28 ? 101 PRO B CG  1 
ATOM   833  C CD  . PRO A 1 95  ? -30.749 -24.569 -21.777 1.00 14.75 ? 101 PRO B CD  1 
ATOM   834  N N   . GLU A 1 96  ? -31.460 -26.476 -24.970 1.00 15.14 ? 102 GLU B N   1 
ATOM   835  C CA  . GLU A 1 96  ? -32.044 -27.328 -26.056 1.00 18.92 ? 102 GLU B CA  1 
ATOM   836  C C   . GLU A 1 96  ? -32.458 -26.454 -27.240 1.00 17.74 ? 102 GLU B C   1 
ATOM   837  O O   . GLU A 1 96  ? -32.341 -26.881 -28.416 1.00 19.17 ? 102 GLU B O   1 
ATOM   838  C CB  . GLU A 1 96  ? -33.205 -28.160 -25.518 1.00 24.27 ? 102 GLU B CB  1 
ATOM   839  C CG  . GLU A 1 96  ? -32.802 -29.003 -24.331 1.00 33.44 ? 102 GLU B CG  1 
ATOM   840  C CD  . GLU A 1 96  ? -33.177 -28.461 -22.953 1.00 40.12 ? 102 GLU B CD  1 
ATOM   841  O OE1 . GLU A 1 96  ? -32.398 -27.615 -22.372 1.00 27.66 ? 102 GLU B OE1 1 
ATOM   842  O OE2 . GLU A 1 96  ? -34.250 -28.926 -22.433 1.00 45.18 ? 102 GLU B OE2 1 
ATOM   843  N N   . ASN A 1 97  ? -32.895 -25.214 -27.000 1.00 16.16 ? 103 ASN B N   1 
ATOM   844  C CA  . ASN A 1 97  ? -33.299 -24.283 -28.084 1.00 15.41 ? 103 ASN B CA  1 
ATOM   845  C C   . ASN A 1 97  ? -32.160 -23.355 -28.496 1.00 14.86 ? 103 ASN B C   1 
ATOM   846  O O   . ASN A 1 97  ? -32.378 -22.499 -29.361 1.00 16.44 ? 103 ASN B O   1 
ATOM   847  C CB  . ASN A 1 97  ? -34.510 -23.437 -27.656 1.00 17.01 ? 103 ASN B CB  1 
ATOM   848  C CG  . ASN A 1 97  ? -35.801 -24.213 -27.631 1.00 19.93 ? 103 ASN B CG  1 
ATOM   849  O OD1 . ASN A 1 97  ? -35.892 -25.279 -28.270 1.00 21.28 ? 103 ASN B OD1 1 
ATOM   850  N ND2 . ASN A 1 97  ? -36.754 -23.760 -26.827 1.00 20.81 ? 103 ASN B ND2 1 
ATOM   851  N N   . GLY A 1 98  ? -30.940 -23.543 -27.971 1.00 13.31 ? 104 GLY B N   1 
ATOM   852  C CA  . GLY A 1 98  ? -29.776 -22.745 -28.365 1.00 12.51 ? 104 GLY B CA  1 
ATOM   853  C C   . GLY A 1 98  ? -29.527 -21.472 -27.578 1.00 12.19 ? 104 GLY B C   1 
ATOM   854  O O   . GLY A 1 98  ? -28.847 -20.593 -28.102 1.00 12.45 ? 104 GLY B O   1 
ATOM   855  N N   . PHE A 1 99  ? -29.972 -21.411 -26.309 1.00 13.13 ? 105 PHE B N   1 
ATOM   856  C CA  . PHE A 1 99  ? -29.785 -20.204 -25.452 1.00 12.53 ? 105 PHE B CA  1 
ATOM   857  C C   . PHE A 1 99  ? -29.110 -20.564 -24.128 1.00 11.62 ? 105 PHE B C   1 
ATOM   858  O O   . PHE A 1 99  ? -29.539 -21.575 -23.511 1.00 13.15 ? 105 PHE B O   1 
ATOM   859  C CB  . PHE A 1 99  ? -31.136 -19.569 -25.103 1.00 12.63 ? 105 PHE B CB  1 
ATOM   860  C CG  . PHE A 1 99  ? -31.905 -19.072 -26.309 1.00 12.01 ? 105 PHE B CG  1 
ATOM   861  C CD1 . PHE A 1 99  ? -32.814 -19.900 -26.935 1.00 12.69 ? 105 PHE B CD1 1 
ATOM   862  C CD2 . PHE A 1 99  ? -31.796 -17.754 -26.732 1.00 11.77 ? 105 PHE B CD2 1 
ATOM   863  C CE1 . PHE A 1 99  ? -33.531 -19.459 -28.031 1.00 13.94 ? 105 PHE B CE1 1 
ATOM   864  C CE2 . PHE A 1 99  ? -32.527 -17.305 -27.820 1.00 13.18 ? 105 PHE B CE2 1 
ATOM   865  C CZ  . PHE A 1 99  ? -33.430 -18.150 -28.419 1.00 12.01 ? 105 PHE B CZ  1 
ATOM   866  N N   . TRP A 1 100 ? -28.133 -19.751 -23.722 1.00 10.96 ? 106 TRP B N   1 
ATOM   867  C CA  . TRP A 1 100 ? -27.431 -19.850 -22.411 1.00 10.19 ? 106 TRP B CA  1 
ATOM   868  C C   . TRP A 1 100 ? -27.589 -18.497 -21.716 1.00 9.70  ? 106 TRP B C   1 
ATOM   869  O O   . TRP A 1 100 ? -26.866 -17.540 -22.058 1.00 11.03 ? 106 TRP B O   1 
ATOM   870  C CB  . TRP A 1 100 ? -25.971 -20.301 -22.589 1.00 10.56 ? 106 TRP B CB  1 
ATOM   871  C CG  . TRP A 1 100 ? -25.907 -21.688 -23.177 1.00 10.87 ? 106 TRP B CG  1 
ATOM   872  C CD1 . TRP A 1 100 ? -25.813 -22.881 -22.526 1.00 12.22 ? 106 TRP B CD1 1 
ATOM   873  C CD2 . TRP A 1 100 ? -25.926 -22.004 -24.592 1.00 10.85 ? 106 TRP B CD2 1 
ATOM   874  N NE1 . TRP A 1 100 ? -25.851 -23.922 -23.438 1.00 12.51 ? 106 TRP B NE1 1 
ATOM   875  C CE2 . TRP A 1 100 ? -25.893 -23.407 -24.703 1.00 12.00 ? 106 TRP B CE2 1 
ATOM   876  C CE3 . TRP A 1 100 ? -26.018 -21.220 -25.748 1.00 12.01 ? 106 TRP B CE3 1 
ATOM   877  C CZ2 . TRP A 1 100 ? -25.958 -24.041 -25.963 1.00 13.07 ? 106 TRP B CZ2 1 
ATOM   878  C CZ3 . TRP A 1 100 ? -26.016 -21.850 -26.977 1.00 13.01 ? 106 TRP B CZ3 1 
ATOM   879  C CH2 . TRP A 1 100 ? -26.033 -23.228 -27.069 1.00 12.72 ? 106 TRP B CH2 1 
ATOM   880  N N   . THR A 1 101 ? -28.615 -18.419 -20.847 1.00 10.72 ? 107 THR B N   1 
ATOM   881  C CA  . THR A 1 101 ? -29.129 -17.106 -20.374 1.00 10.21 ? 107 THR B CA  1 
ATOM   882  C C   . THR A 1 101 ? -29.477 -17.166 -18.873 1.00 10.46 ? 107 THR B C   1 
ATOM   883  O O   . THR A 1 101 ? -29.738 -18.235 -18.347 1.00 11.04 ? 107 THR B O   1 
ATOM   884  C CB  . THR A 1 101 ? -30.379 -16.667 -21.125 1.00 11.14 ? 107 THR B CB  1 
ATOM   885  O OG1 . THR A 1 101 ? -31.441 -17.582 -20.900 1.00 12.17 ? 107 THR B OG1 1 
ATOM   886  C CG2 . THR A 1 101 ? -30.072 -16.492 -22.596 1.00 11.10 ? 107 THR B CG2 1 
ATOM   887  N N   . ILE A 1 102 ? -29.520 -15.984 -18.276 1.00 10.52 ? 108 ILE B N   1 
ATOM   888  C CA  . ILE A 1 102 ? -30.145 -15.747 -16.941 1.00 11.67 ? 108 ILE B CA  1 
ATOM   889  C C   . ILE A 1 102 ? -31.165 -14.627 -17.125 1.00 10.93 ? 108 ILE B C   1 
ATOM   890  O O   . ILE A 1 102 ? -31.119 -13.876 -18.129 1.00 11.43 ? 108 ILE B O   1 
ATOM   891  C CB  . ILE A 1 102 ? -29.124 -15.435 -15.822 1.00 12.30 ? 108 ILE B CB  1 
ATOM   892  C CG1 . ILE A 1 102 ? -28.436 -14.079 -15.994 1.00 13.16 ? 108 ILE B CG1 1 
ATOM   893  C CG2 . ILE A 1 102 ? -28.129 -16.568 -15.712 1.00 13.24 ? 108 ILE B CG2 1 
ATOM   894  C CD1 . ILE A 1 102 ? -27.614 -13.620 -14.796 1.00 13.73 ? 108 ILE B CD1 1 
ATOM   895  N N   . TRP A 1 103 ? -32.028 -14.490 -16.136 1.00 11.52 ? 109 TRP B N   1 
ATOM   896  C CA  . TRP A 1 103 ? -33.032 -13.419 -16.196 1.00 12.12 ? 109 TRP B CA  1 
ATOM   897  C C   . TRP A 1 103 ? -33.467 -12.970 -14.831 1.00 12.08 ? 109 TRP B C   1 
ATOM   898  O O   . TRP A 1 103 ? -33.290 -13.628 -13.831 1.00 12.21 ? 109 TRP B O   1 
ATOM   899  C CB  . TRP A 1 103 ? -34.218 -13.809 -17.021 1.00 15.21 ? 109 TRP B CB  1 
ATOM   900  C CG  . TRP A 1 103 ? -35.004 -14.962 -16.533 1.00 17.34 ? 109 TRP B CG  1 
ATOM   901  C CD1 . TRP A 1 103 ? -35.900 -14.943 -15.504 1.00 18.02 ? 109 TRP B CD1 1 
ATOM   902  C CD2 . TRP A 1 103 ? -35.090 -16.248 -17.151 1.00 18.95 ? 109 TRP B CD2 1 
ATOM   903  N NE1 . TRP A 1 103 ? -36.534 -16.145 -15.424 1.00 21.22 ? 109 TRP B NE1 1 
ATOM   904  C CE2 . TRP A 1 103 ? -36.108 -16.942 -16.446 1.00 19.77 ? 109 TRP B CE2 1 
ATOM   905  C CE3 . TRP A 1 103 ? -34.501 -16.822 -18.287 1.00 19.99 ? 109 TRP B CE3 1 
ATOM   906  C CZ2 . TRP A 1 103 ? -36.469 -18.244 -16.765 1.00 21.72 ? 109 TRP B CZ2 1 
ATOM   907  C CZ3 . TRP A 1 103 ? -34.881 -18.101 -18.609 1.00 21.44 ? 109 TRP B CZ3 1 
ATOM   908  C CH2 . TRP A 1 103 ? -35.852 -18.783 -17.873 1.00 19.78 ? 109 TRP B CH2 1 
ATOM   909  N N   . LEU A 1 104 ? -34.086 -11.768 -14.869 1.00 12.63 ? 110 LEU B N   1 
ATOM   910  C CA  . LEU A 1 104 ? -34.845 -11.227 -13.737 1.00 12.30 ? 110 LEU B CA  1 
ATOM   911  C C   . LEU A 1 104 ? -36.310 -11.196 -14.137 1.00 11.69 ? 110 LEU B C   1 
ATOM   912  O O   . LEU A 1 104 ? -36.622 -10.733 -15.225 1.00 12.20 ? 110 LEU B O   1 
ATOM   913  C CB  . LEU A 1 104 ? -34.394 -9.816  -13.431 1.00 12.57 ? 110 LEU B CB  1 
ATOM   914  C CG  . LEU A 1 104 ? -35.219 -9.033  -12.403 1.00 12.52 ? 110 LEU B CG  1 
ATOM   915  C CD1 . LEU A 1 104 ? -35.217 -9.679  -11.038 1.00 13.56 ? 110 LEU B CD1 1 
ATOM   916  C CD2 . LEU A 1 104 ? -34.760 -7.592  -12.323 1.00 13.75 ? 110 LEU B CD2 1 
ATOM   917  N N   . TRP A 1 105 ? -37.190 -11.624 -13.234 1.00 13.42 ? 111 TRP B N   1 
ATOM   918  C CA  . TRP A 1 105 ? -38.636 -11.639 -13.481 1.00 14.83 ? 111 TRP B CA  1 
ATOM   919  C C   . TRP A 1 105 ? -39.343 -11.676 -12.141 1.00 15.69 ? 111 TRP B C   1 
ATOM   920  O O   . TRP A 1 105 ? -39.045 -12.574 -11.335 1.00 15.82 ? 111 TRP B O   1 
ATOM   921  C CB  . TRP A 1 105 ? -38.980 -12.855 -14.332 1.00 18.46 ? 111 TRP B CB  1 
ATOM   922  C CG  . TRP A 1 105 ? -40.421 -13.124 -14.469 1.00 23.23 ? 111 TRP B CG  1 
ATOM   923  C CD1 . TRP A 1 105 ? -41.174 -14.120 -13.896 1.00 24.09 ? 111 TRP B CD1 1 
ATOM   924  C CD2 . TRP A 1 105 ? -41.286 -12.324 -15.244 1.00 23.81 ? 111 TRP B CD2 1 
ATOM   925  N NE1 . TRP A 1 105 ? -42.455 -14.002 -14.311 1.00 24.57 ? 111 TRP B NE1 1 
ATOM   926  C CE2 . TRP A 1 105 ? -42.564 -12.907 -15.125 1.00 22.24 ? 111 TRP B CE2 1 
ATOM   927  C CE3 . TRP A 1 105 ? -41.097 -11.199 -16.033 1.00 23.08 ? 111 TRP B CE3 1 
ATOM   928  C CZ2 . TRP A 1 105 ? -43.665 -12.402 -15.788 1.00 28.75 ? 111 TRP B CZ2 1 
ATOM   929  C CZ3 . TRP A 1 105 ? -42.199 -10.664 -16.644 1.00 29.41 ? 111 TRP B CZ3 1 
ATOM   930  C CH2 . TRP A 1 105 ? -43.460 -11.251 -16.519 1.00 30.15 ? 111 TRP B CH2 1 
ATOM   931  N N   . GLN A 1 106 ? -40.235 -10.701 -11.896 1.00 15.12 ? 112 GLN B N   1 
ATOM   932  C CA  . GLN A 1 106 ? -41.042 -10.723 -10.646 1.00 15.96 ? 112 GLN B CA  1 
ATOM   933  C C   . GLN A 1 106 ? -40.169 -10.902 -9.423  1.00 16.73 ? 112 GLN B C   1 
ATOM   934  O O   . GLN A 1 106 ? -40.526 -11.743 -8.492  1.00 17.89 ? 112 GLN B O   1 
ATOM   935  C CB  . GLN A 1 106 ? -42.163 -11.756 -10.798 1.00 17.45 ? 112 GLN B CB  1 
ATOM   936  C CG  . GLN A 1 106 ? -43.130 -11.405 -11.918 1.00 18.49 ? 112 GLN B CG  1 
ATOM   937  C CD  . GLN A 1 106 ? -44.391 -12.228 -11.970 1.00 21.03 ? 112 GLN B CD  1 
ATOM   938  O OE1 . GLN A 1 106 ? -45.358 -11.862 -12.663 1.00 23.33 ? 112 GLN B OE1 1 
ATOM   939  N NE2 . GLN A 1 106 ? -44.422 -13.301 -11.199 1.00 18.33 ? 112 GLN B NE2 1 
ATOM   940  N N   . ASP A 1 107 ? -39.139 -10.073 -9.302  1.00 17.15 ? 113 ASP B N   1 
ATOM   941  C CA  . ASP A 1 107 ? -38.321 -9.979  -8.086  1.00 21.67 ? 113 ASP B CA  1 
ATOM   942  C C   . ASP A 1 107 ? -37.528 -11.267 -7.810  1.00 22.08 ? 113 ASP B C   1 
ATOM   943  O O   . ASP A 1 107 ? -37.035 -11.405 -6.683  1.00 29.80 ? 113 ASP B O   1 
ATOM   944  C CB  . ASP A 1 107 ? -39.282 -9.724  -6.925  1.00 25.06 ? 113 ASP B CB  1 
ATOM   945  C CG  . ASP A 1 107 ? -38.672 -9.068  -5.730  1.00 33.93 ? 113 ASP B CG  1 
ATOM   946  O OD1 . ASP A 1 107 ? -37.724 -8.261  -5.908  1.00 36.71 ? 113 ASP B OD1 1 
ATOM   947  O OD2 . ASP A 1 107 ? -39.197 -9.348  -4.618  1.00 44.40 ? 113 ASP B OD2 1 
ATOM   948  N N   . SER A 1 108 ? -37.382 -12.167 -8.774  1.00 18.16 ? 114 SER B N   1 
ATOM   949  C CA  . SER A 1 108 ? -36.493 -13.352 -8.609  1.00 19.63 ? 114 SER B CA  1 
ATOM   950  C C   . SER A 1 108 ? -35.575 -13.482 -9.828  1.00 16.60 ? 114 SER B C   1 
ATOM   951  O O   . SER A 1 108 ? -35.965 -13.125 -10.991 1.00 14.91 ? 114 SER B O   1 
ATOM   952  C CB  . SER A 1 108 ? -37.306 -14.571 -8.262  1.00 24.04 ? 114 SER B CB  1 
ATOM   953  O OG  . SER A 1 108 ? -37.910 -15.153 -9.385  1.00 33.65 ? 114 SER B OG  1 
ATOM   954  N N   . TYR A 1 109 ? -34.373 -13.962 -9.587  1.00 14.80 ? 115 TYR B N   1 
ATOM   955  C CA  . TYR A 1 109 ? -33.364 -14.237 -10.654 1.00 13.13 ? 115 TYR B CA  1 
ATOM   956  C C   . TYR A 1 109 ? -33.335 -15.741 -10.900 1.00 12.34 ? 115 TYR B C   1 
ATOM   957  O O   . TYR A 1 109 ? -33.357 -16.532 -9.951  1.00 13.78 ? 115 TYR B O   1 
ATOM   958  C CB  . TYR A 1 109 ? -32.014 -13.708 -10.225 1.00 12.43 ? 115 TYR B CB  1 
ATOM   959  C CG  . TYR A 1 109 ? -31.969 -12.203 -10.010 1.00 13.45 ? 115 TYR B CG  1 
ATOM   960  C CD1 . TYR A 1 109 ? -32.207 -11.655 -8.763  1.00 14.23 ? 115 TYR B CD1 1 
ATOM   961  C CD2 . TYR A 1 109 ? -31.582 -11.341 -11.019 1.00 13.17 ? 115 TYR B CD2 1 
ATOM   962  C CE1 . TYR A 1 109 ? -32.130 -10.290 -8.531  1.00 15.56 ? 115 TYR B CE1 1 
ATOM   963  C CE2 . TYR A 1 109 ? -31.531 -9.965  -10.814 1.00 13.43 ? 115 TYR B CE2 1 
ATOM   964  C CZ  . TYR A 1 109 ? -31.775 -9.448  -9.552  1.00 14.76 ? 115 TYR B CZ  1 
ATOM   965  O OH  . TYR A 1 109 ? -31.801 -8.095  -9.287  1.00 15.56 ? 115 TYR B OH  1 
ATOM   966  N N   A GLU A 1 110 ? -33.284 -16.142 -12.171 0.25 13.23 ? 116 GLU B N   1 
ATOM   967  N N   B GLU A 1 110 ? -33.336 -16.133 -12.178 0.25 12.81 ? 116 GLU B N   1 
ATOM   968  C CA  A GLU A 1 110 ? -33.288 -17.577 -12.562 0.25 13.82 ? 116 GLU B CA  1 
ATOM   969  C CA  B GLU A 1 110 ? -33.335 -17.553 -12.626 0.25 13.11 ? 116 GLU B CA  1 
ATOM   970  C C   A GLU A 1 110 ? -32.380 -17.813 -13.772 0.25 12.85 ? 116 GLU B C   1 
ATOM   971  C C   B GLU A 1 110 ? -32.257 -17.751 -13.704 0.25 12.30 ? 116 GLU B C   1 
ATOM   972  O O   A GLU A 1 110 ? -32.339 -16.972 -14.672 0.25 13.03 ? 116 GLU B O   1 
ATOM   973  O O   B GLU A 1 110 ? -31.908 -16.790 -14.410 0.25 11.94 ? 116 GLU B O   1 
ATOM   974  C CB  A GLU A 1 110 ? -34.702 -18.051 -12.878 0.25 15.47 ? 116 GLU B CB  1 
ATOM   975  C CB  B GLU A 1 110 ? -34.703 -17.965 -13.175 0.25 14.16 ? 116 GLU B CB  1 
ATOM   976  C CG  A GLU A 1 110 ? -35.639 -17.933 -11.684 0.25 17.37 ? 116 GLU B CG  1 
ATOM   977  C CG  B GLU A 1 110 ? -35.853 -17.819 -12.180 0.25 15.90 ? 116 GLU B CG  1 
ATOM   978  C CD  A GLU A 1 110 ? -37.062 -18.346 -11.987 0.25 20.02 ? 116 GLU B CD  1 
ATOM   979  C CD  B GLU A 1 110 ? -35.984 -18.958 -11.178 0.25 17.02 ? 116 GLU B CD  1 
ATOM   980  O OE1 A GLU A 1 110 ? -37.521 -18.082 -13.115 0.25 22.81 ? 116 GLU B OE1 1 
ATOM   981  O OE1 B GLU A 1 110 ? -35.622 -20.095 -11.510 0.25 20.57 ? 116 GLU B OE1 1 
ATOM   982  O OE2 A GLU A 1 110 ? -37.701 -18.953 -11.101 0.25 20.32 ? 116 GLU B OE2 1 
ATOM   983  O OE2 B GLU A 1 110 ? -36.485 -18.704 -10.078 0.25 21.99 ? 116 GLU B OE2 1 
ATOM   984  N N   . ALA A 1 111 ? -31.712 -18.969 -13.791 1.00 12.50 ? 117 ALA B N   1 
ATOM   985  C CA  . ALA A 1 111 ? -30.944 -19.409 -14.961 1.00 12.93 ? 117 ALA B CA  1 
ATOM   986  C C   . ALA A 1 111 ? -31.876 -20.157 -15.898 1.00 13.14 ? 117 ALA B C   1 
ATOM   987  O O   . ALA A 1 111 ? -32.741 -20.976 -15.479 1.00 13.20 ? 117 ALA B O   1 
ATOM   988  C CB  . ALA A 1 111 ? -29.785 -20.310 -14.576 1.00 13.54 ? 117 ALA B CB  1 
ATOM   989  N N   . GLY A 1 112 ? -31.707 -19.886 -17.195 1.00 12.68 ? 118 GLY B N   1 
ATOM   990  C CA  . GLY A 1 112 ? -32.489 -20.469 -18.304 1.00 13.95 ? 118 GLY B CA  1 
ATOM   991  C C   . GLY A 1 112 ? -32.157 -21.917 -18.596 1.00 14.02 ? 118 GLY B C   1 
ATOM   992  O O   . GLY A 1 112 ? -31.909 -22.261 -19.730 1.00 15.48 ? 118 GLY B O   1 
ATOM   993  N N   . THR A 1 113 ? -32.138 -22.771 -17.599 1.00 15.36 ? 119 THR B N   1 
ATOM   994  C CA  . THR A 1 113 ? -32.136 -24.238 -17.804 1.00 17.37 ? 119 THR B CA  1 
ATOM   995  C C   . THR A 1 113 ? -33.571 -24.704 -18.050 1.00 16.34 ? 119 THR B C   1 
ATOM   996  O O   . THR A 1 113 ? -34.499 -23.925 -17.895 1.00 19.24 ? 119 THR B O   1 
ATOM   997  C CB  . THR A 1 113 ? -31.513 -24.870 -16.576 1.00 14.82 ? 119 THR B CB  1 
ATOM   998  O OG1 . THR A 1 113 ? -32.193 -24.418 -15.396 1.00 15.30 ? 119 THR B OG1 1 
ATOM   999  C CG2 . THR A 1 113 ? -30.058 -24.577 -16.405 1.00 16.33 ? 119 THR B CG2 1 
ATOM   1000 N N   . SER A 1 114 ? -33.756 -25.986 -18.377 1.00 19.95 ? 120 SER B N   1 
ATOM   1001 C CA  . SER A 1 114 ? -35.105 -26.568 -18.558 1.00 23.71 ? 120 SER B CA  1 
ATOM   1002 C C   . SER A 1 114 ? -35.283 -27.761 -17.615 1.00 24.49 ? 120 SER B C   1 
ATOM   1003 O O   . SER A 1 114 ? -34.652 -28.803 -17.795 1.00 26.86 ? 120 SER B O   1 
ATOM   1004 C CB  . SER A 1 114 ? -35.354 -26.974 -19.995 1.00 28.36 ? 120 SER B CB  1 
ATOM   1005 O OG  . SER A 1 114 ? -36.735 -27.324 -20.154 1.00 33.37 ? 120 SER B OG  1 
ATOM   1006 N N   . PRO A 1 115 ? -36.044 -27.624 -16.517 1.00 23.03 ? 121 PRO B N   1 
ATOM   1007 C CA  . PRO A 1 115 ? -36.708 -26.387 -16.127 1.00 23.50 ? 121 PRO B CA  1 
ATOM   1008 C C   . PRO A 1 115 ? -35.738 -25.384 -15.485 1.00 17.99 ? 121 PRO B C   1 
ATOM   1009 O O   . PRO A 1 115 ? -34.579 -25.711 -15.206 1.00 17.72 ? 121 PRO B O   1 
ATOM   1010 C CB  . PRO A 1 115 ? -37.719 -26.841 -15.076 1.00 27.17 ? 121 PRO B CB  1 
ATOM   1011 C CG  . PRO A 1 115 ? -37.027 -28.010 -14.415 1.00 26.59 ? 121 PRO B CG  1 
ATOM   1012 C CD  . PRO A 1 115 ? -36.240 -28.699 -15.517 1.00 25.42 ? 121 PRO B CD  1 
ATOM   1013 N N   . GLN A 1 116 ? -36.207 -24.157 -15.303 1.00 18.96 ? 122 GLN B N   1 
ATOM   1014 C CA  . GLN A 1 116 ? -35.352 -23.040 -14.840 1.00 18.05 ? 122 GLN B CA  1 
ATOM   1015 C C   . GLN A 1 116 ? -34.824 -23.295 -13.415 1.00 15.81 ? 122 GLN B C   1 
ATOM   1016 O O   . GLN A 1 116 ? -35.451 -24.033 -12.642 1.00 17.02 ? 122 GLN B O   1 
ATOM   1017 C CB  . GLN A 1 116 ? -36.055 -21.691 -14.933 1.00 23.73 ? 122 GLN B CB  1 
ATOM   1018 C CG  . GLN A 1 116 ? -37.105 -21.459 -13.876 1.00 30.77 ? 122 GLN B CG  1 
ATOM   1019 C CD  . GLN A 1 116 ? -38.479 -21.391 -14.484 1.00 41.17 ? 122 GLN B CD  1 
ATOM   1020 O OE1 . GLN A 1 116 ? -38.869 -22.230 -15.299 1.00 49.29 ? 122 GLN B OE1 1 
ATOM   1021 N NE2 . GLN A 1 116 ? -39.222 -20.391 -14.052 1.00 48.70 ? 122 GLN B NE2 1 
ATOM   1022 N N   . THR A 1 117 ? -33.657 -22.721 -13.137 1.00 14.26 ? 123 THR B N   1 
ATOM   1023 C CA  . THR A 1 117 ? -32.954 -22.885 -11.852 1.00 13.25 ? 123 THR B CA  1 
ATOM   1024 C C   . THR A 1 117 ? -32.987 -21.570 -11.073 1.00 13.34 ? 123 THR B C   1 
ATOM   1025 O O   . THR A 1 117 ? -32.497 -20.535 -11.568 1.00 14.36 ? 123 THR B O   1 
ATOM   1026 C CB  . THR A 1 117 ? -31.517 -23.353 -12.117 1.00 13.42 ? 123 THR B CB  1 
ATOM   1027 O OG1 . THR A 1 117 ? -31.594 -24.579 -12.856 1.00 14.96 ? 123 THR B OG1 1 
ATOM   1028 C CG2 . THR A 1 117 ? -30.741 -23.515 -10.841 1.00 14.55 ? 123 THR B CG2 1 
ATOM   1029 N N   . THR A 1 118 ? -33.413 -21.616 -9.805  1.00 13.59 ? 124 THR B N   1 
ATOM   1030 C CA  . THR A 1 118 ? -33.331 -20.480 -8.879  1.00 14.98 ? 124 THR B CA  1 
ATOM   1031 C C   . THR A 1 118 ? -31.910 -20.020 -8.603  1.00 13.85 ? 124 THR B C   1 
ATOM   1032 O O   . THR A 1 118 ? -31.014 -20.871 -8.347  1.00 16.77 ? 124 THR B O   1 
ATOM   1033 C CB  . THR A 1 118 ? -33.954 -20.917 -7.546  1.00 18.50 ? 124 THR B CB  1 
ATOM   1034 O OG1 . THR A 1 118 ? -35.318 -21.229 -7.808  1.00 20.36 ? 124 THR B OG1 1 
ATOM   1035 C CG2 . THR A 1 118 ? -33.751 -19.881 -6.472  1.00 21.49 ? 124 THR B CG2 1 
ATOM   1036 N N   . LEU A 1 119 ? -31.656 -18.725 -8.708  1.00 11.78 ? 125 LEU B N   1 
ATOM   1037 C CA  . LEU A 1 119 ? -30.342 -18.111 -8.419  1.00 12.37 ? 125 LEU B CA  1 
ATOM   1038 C C   . LEU A 1 119 ? -30.424 -17.504 -7.010  1.00 14.74 ? 125 LEU B C   1 
ATOM   1039 O O   . LEU A 1 119 ? -31.558 -17.166 -6.551  1.00 19.65 ? 125 LEU B O   1 
ATOM   1040 C CB  . LEU A 1 119 ? -29.957 -17.040 -9.455  1.00 13.07 ? 125 LEU B CB  1 
ATOM   1041 C CG  . LEU A 1 119 ? -29.854 -17.582 -10.886 1.00 13.28 ? 125 LEU B CG  1 
ATOM   1042 C CD1 . LEU A 1 119 ? -29.616 -16.463 -11.883 1.00 14.14 ? 125 LEU B CD1 1 
ATOM   1043 C CD2 . LEU A 1 119 ? -28.757 -18.636 -11.002 1.00 13.92 ? 125 LEU B CD2 1 
ATOM   1044 N N   . HIS A 1 120 ? -29.288 -17.399 -6.362  1.00 14.81 ? 126 HIS B N   1 
ATOM   1045 C CA  . HIS A 1 120 ? -29.195 -16.935 -4.955  1.00 14.37 ? 126 HIS B CA  1 
ATOM   1046 C C   . HIS A 1 120 ? -28.385 -15.649 -5.000  1.00 16.10 ? 126 HIS B C   1 
ATOM   1047 O O   . HIS A 1 120 ? -27.127 -15.692 -5.015  1.00 21.22 ? 126 HIS B O   1 
ATOM   1048 C CB  . HIS A 1 120 ? -28.533 -18.027 -4.101  1.00 16.20 ? 126 HIS B CB  1 
ATOM   1049 C CG  . HIS A 1 120 ? -29.287 -19.317 -4.046  1.00 17.37 ? 126 HIS B CG  1 
ATOM   1050 N ND1 . HIS A 1 120 ? -28.980 -20.401 -4.867  1.00 19.68 ? 126 HIS B ND1 1 
ATOM   1051 C CD2 . HIS A 1 120 ? -30.367 -19.697 -3.336  1.00 19.28 ? 126 HIS B CD2 1 
ATOM   1052 C CE1 . HIS A 1 120 ? -29.840 -21.377 -4.630  1.00 20.55 ? 126 HIS B CE1 1 
ATOM   1053 N NE2 . HIS A 1 120 ? -30.659 -21.005 -3.666  1.00 19.23 ? 126 HIS B NE2 1 
ATOM   1054 N N   . ILE A 1 121 ? -29.044 -14.514 -5.086  1.00 19.35 ? 127 ILE B N   1 
ATOM   1055 C CA  . ILE A 1 121 ? -28.379 -13.193 -5.200  1.00 21.45 ? 127 ILE B CA  1 
ATOM   1056 C C   . ILE A 1 121 ? -28.778 -12.341 -3.964  1.00 20.95 ? 127 ILE B C   1 
ATOM   1057 O O   . ILE A 1 121 ? -29.980 -12.068 -3.776  1.00 27.07 ? 127 ILE B O   1 
ATOM   1058 C CB  . ILE A 1 121 ? -28.762 -12.550 -6.551  1.00 22.21 ? 127 ILE B CB  1 
ATOM   1059 C CG1 . ILE A 1 121 ? -28.226 -13.386 -7.726  1.00 21.21 ? 127 ILE B CG1 1 
ATOM   1060 C CG2 . ILE A 1 121 ? -28.266 -11.114 -6.561  1.00 25.87 ? 127 ILE B CG2 1 
ATOM   1061 C CD1 . ILE A 1 121 ? -28.372 -12.744 -9.103  1.00 24.28 ? 127 ILE B CD1 1 
ATOM   1062 N N   . GLN A 1 122 ? -27.803 -12.008 -3.144  1.00 25.71 ? 128 GLN B N   1 
ATOM   1063 C CA  . GLN A 1 122 ? -28.008 -11.196 -1.906  1.00 27.70 ? 128 GLN B CA  1 
ATOM   1064 C C   . GLN A 1 122 ? -27.959 -9.700  -2.259  1.00 24.72 ? 128 GLN B C   1 
ATOM   1065 O O   . GLN A 1 122 ? -28.736 -8.925  -1.650  1.00 24.96 ? 128 GLN B O   1 
ATOM   1066 C CB  . GLN A 1 122 ? -26.939 -11.594 -0.872  1.00 33.30 ? 128 GLN B CB  1 
ATOM   1067 C CG  . GLN A 1 122 ? -27.045 -10.869 0.468   1.00 43.45 ? 128 GLN B CG  1 
ATOM   1068 C CD  . GLN A 1 122 ? -28.360 -11.105 1.181   1.00 47.99 ? 128 GLN B CD  1 
ATOM   1069 O OE1 . GLN A 1 122 ? -29.125 -12.010 0.850   1.00 53.43 ? 128 GLN B OE1 1 
ATOM   1070 N NE2 . GLN A 1 122 ? -28.651 -10.259 2.157   1.00 51.52 ? 128 GLN B NE2 1 
ATOM   1071 N N   . VAL A 1 123 ? -27.166 -9.332  -3.258  1.00 21.35 ? 129 VAL B N   1 
ATOM   1072 C CA  . VAL A 1 123 ? -26.982 -7.906  -3.684  1.00 20.06 ? 129 VAL B CA  1 
ATOM   1073 C C   . VAL A 1 123 ? -27.541 -7.724  -5.096  1.00 20.50 ? 129 VAL B C   1 
ATOM   1074 O O   . VAL A 1 123 ? -26.924 -8.218  -6.042  1.00 19.38 ? 129 VAL B O   1 
ATOM   1075 C CB  . VAL A 1 123 ? -25.507 -7.481  -3.637  1.00 21.92 ? 129 VAL B CB  1 
ATOM   1076 C CG1 . VAL A 1 123 ? -25.325 -6.044  -4.114  1.00 22.41 ? 129 VAL B CG1 1 
ATOM   1077 C CG2 . VAL A 1 123 ? -24.919 -7.624  -2.235  1.00 23.99 ? 129 VAL B CG2 1 
ATOM   1078 N N   . PRO A 1 124 ? -28.756 -7.155  -5.291  1.00 19.23 ? 130 PRO B N   1 
ATOM   1079 C CA  . PRO A 1 124 ? -29.324 -7.034  -6.644  1.00 19.62 ? 130 PRO B CA  1 
ATOM   1080 C C   . PRO A 1 124 ? -28.316 -6.373  -7.562  1.00 19.08 ? 130 PRO B C   1 
ATOM   1081 O O   . PRO A 1 124 ? -27.838 -5.295  -7.282  1.00 18.59 ? 130 PRO B O   1 
ATOM   1082 C CB  . PRO A 1 124 ? -30.580 -6.166  -6.385  1.00 21.72 ? 130 PRO B CB  1 
ATOM   1083 C CG  . PRO A 1 124 ? -31.004 -6.629  -4.979  1.00 22.40 ? 130 PRO B CG  1 
ATOM   1084 C CD  . PRO A 1 124 ? -29.709 -6.723  -4.242  1.00 22.14 ? 130 PRO B CD  1 
ATOM   1085 N N   . PRO A 1 125 ? -27.929 -6.996  -8.695  1.00 16.20 ? 131 PRO B N   1 
ATOM   1086 C CA  . PRO A 1 125 ? -26.923 -6.423  -9.574  1.00 16.40 ? 131 PRO B CA  1 
ATOM   1087 C C   . PRO A 1 125 ? -27.427 -5.205  -10.363 1.00 15.55 ? 131 PRO B C   1 
ATOM   1088 O O   . PRO A 1 125 ? -28.561 -5.267  -10.873 1.00 16.42 ? 131 PRO B O   1 
ATOM   1089 C CB  . PRO A 1 125 ? -26.556 -7.597  -10.508 1.00 17.82 ? 131 PRO B CB  1 
ATOM   1090 C CG  . PRO A 1 125 ? -27.664 -8.574  -10.417 1.00 18.85 ? 131 PRO B CG  1 
ATOM   1091 C CD  . PRO A 1 125 ? -28.289 -8.384  -9.055  1.00 16.53 ? 131 PRO B CD  1 
ATOM   1092 N N   . CYS A 1 126 ? -26.579 -4.195  -10.472 1.00 16.49 ? 132 CYS B N   1 
ATOM   1093 C CA  . CYS A 1 126 ? -26.772 -3.061  -11.419 1.00 16.88 ? 132 CYS B CA  1 
ATOM   1094 C C   . CYS A 1 126 ? -25.987 -3.324  -12.711 1.00 15.79 ? 132 CYS B C   1 
ATOM   1095 O O   . CYS A 1 126 ? -26.299 -2.744  -13.748 1.00 14.48 ? 132 CYS B O   1 
ATOM   1096 C CB  . CYS A 1 126 ? -26.371 -1.720  -10.833 1.00 20.44 ? 132 CYS B CB  1 
ATOM   1097 S SG  . CYS A 1 126 ? -27.409 -1.305  -9.402  1.00 26.71 ? 132 CYS B SG  1 
ATOM   1098 N N   A GLN A 1 127 ? -24.945 -4.167  -12.669 0.25 15.57 ? 133 GLN B N   1 
ATOM   1099 N N   B GLN A 1 127 ? -25.011 -4.233  -12.643 0.25 16.15 ? 133 GLN B N   1 
ATOM   1100 C CA  A GLN A 1 127 ? -24.194 -4.577  -13.894 0.25 15.74 ? 133 GLN B CA  1 
ATOM   1101 C CA  B GLN A 1 127 ? -24.180 -4.615  -13.812 0.25 16.90 ? 133 GLN B CA  1 
ATOM   1102 C C   A GLN A 1 127 ? -23.802 -6.057  -13.792 0.25 15.15 ? 133 GLN B C   1 
ATOM   1103 C C   B GLN A 1 127 ? -23.922 -6.125  -13.751 0.25 15.92 ? 133 GLN B C   1 
ATOM   1104 O O   A GLN A 1 127 ? -23.393 -6.495  -12.700 0.25 13.27 ? 133 GLN B O   1 
ATOM   1105 O O   B GLN A 1 127 ? -23.812 -6.689  -12.635 0.25 13.82 ? 133 GLN B O   1 
ATOM   1106 C CB  A GLN A 1 127 ? -22.908 -3.778  -14.132 0.25 17.17 ? 133 GLN B CB  1 
ATOM   1107 C CB  B GLN A 1 127 ? -22.881 -3.807  -13.841 0.25 19.36 ? 133 GLN B CB  1 
ATOM   1108 C CG  A GLN A 1 127 ? -23.102 -2.288  -14.363 0.25 18.39 ? 133 GLN B CG  1 
ATOM   1109 C CG  B GLN A 1 127 ? -23.092 -2.326  -14.107 0.25 21.49 ? 133 GLN B CG  1 
ATOM   1110 C CD  A GLN A 1 127 ? -23.010 -1.529  -13.064 0.25 19.90 ? 133 GLN B CD  1 
ATOM   1111 C CD  B GLN A 1 127 ? -21.809 -1.571  -14.351 0.25 23.49 ? 133 GLN B CD  1 
ATOM   1112 O OE1 A GLN A 1 127 ? -22.281 -1.917  -12.154 0.25 20.27 ? 133 GLN B OE1 1 
ATOM   1113 O OE1 B GLN A 1 127 ? -20.749 -2.146  -14.600 0.25 27.28 ? 133 GLN B OE1 1 
ATOM   1114 N NE2 A GLN A 1 127 ? -23.779 -0.455  -12.957 0.25 20.25 ? 133 GLN B NE2 1 
ATOM   1115 N NE2 B GLN A 1 127 ? -21.907 -0.257  -14.295 0.25 25.86 ? 133 GLN B NE2 1 
ATOM   1116 N N   . ILE A 1 128 ? -23.914 -6.757  -14.922 1.00 14.22 ? 134 ILE B N   1 
ATOM   1117 C CA  . ILE A 1 128 ? -23.728 -8.225  -15.059 1.00 13.93 ? 134 ILE B CA  1 
ATOM   1118 C C   . ILE A 1 128 ? -22.519 -8.406  -15.972 1.00 14.94 ? 134 ILE B C   1 
ATOM   1119 O O   . ILE A 1 128 ? -22.442 -7.779  -17.080 1.00 13.87 ? 134 ILE B O   1 
ATOM   1120 C CB  . ILE A 1 128 ? -24.977 -8.874  -15.661 1.00 14.95 ? 134 ILE B CB  1 
ATOM   1121 C CG1 . ILE A 1 128 ? -26.267 -8.678  -14.850 1.00 17.53 ? 134 ILE B CG1 1 
ATOM   1122 C CG2 . ILE A 1 128 ? -24.690 -10.356 -15.928 1.00 15.04 ? 134 ILE B CG2 1 
ATOM   1123 C CD1 . ILE A 1 128 ? -26.281 -9.421  -13.591 1.00 17.76 ? 134 ILE B CD1 1 
ATOM   1124 N N   . GLY A 1 129 ? -21.572 -9.262  -15.566 1.00 14.42 ? 135 GLY B N   1 
ATOM   1125 C CA  . GLY A 1 129 ? -20.467 -9.691  -16.429 1.00 14.15 ? 135 GLY B CA  1 
ATOM   1126 C C   . GLY A 1 129 ? -20.771 -11.053 -17.011 1.00 13.64 ? 135 GLY B C   1 
ATOM   1127 O O   . GLY A 1 129 ? -21.335 -11.921 -16.336 1.00 13.50 ? 135 GLY B O   1 
ATOM   1128 N N   . ILE A 1 130 ? -20.527 -11.205 -18.316 1.00 13.05 ? 136 ILE B N   1 
ATOM   1129 C CA  . ILE A 1 130 ? -20.765 -12.483 -19.041 1.00 13.07 ? 136 ILE B CA  1 
ATOM   1130 C C   . ILE A 1 130 ? -19.438 -12.964 -19.630 1.00 13.85 ? 136 ILE B C   1 
ATOM   1131 O O   . ILE A 1 130 ? -18.759 -12.224 -20.351 1.00 13.68 ? 136 ILE B O   1 
ATOM   1132 C CB  . ILE A 1 130 ? -21.812 -12.287 -20.157 1.00 14.70 ? 136 ILE B CB  1 
ATOM   1133 C CG1 . ILE A 1 130 ? -23.117 -11.754 -19.563 1.00 16.65 ? 136 ILE B CG1 1 
ATOM   1134 C CG2 . ILE A 1 130 ? -22.020 -13.551 -20.988 1.00 14.83 ? 136 ILE B CG2 1 
ATOM   1135 C CD1 . ILE A 1 130 ? -24.122 -11.340 -20.541 1.00 20.05 ? 136 ILE B CD1 1 
ATOM   1136 N N   . PHE A 1 131 ? -19.102 -14.196 -19.301 1.00 13.00 ? 137 PHE B N   1 
ATOM   1137 C CA  . PHE A 1 131 ? -17.841 -14.830 -19.767 1.00 13.18 ? 137 PHE B CA  1 
ATOM   1138 C C   . PHE A 1 131 ? -18.190 -16.069 -20.566 1.00 12.43 ? 137 PHE B C   1 
ATOM   1139 O O   . PHE A 1 131 ? -18.979 -16.912 -20.106 1.00 12.79 ? 137 PHE B O   1 
ATOM   1140 C CB  . PHE A 1 131 ? -16.984 -15.255 -18.579 1.00 14.60 ? 137 PHE B CB  1 
ATOM   1141 C CG  . PHE A 1 131 ? -15.721 -16.006 -18.928 1.00 14.82 ? 137 PHE B CG  1 
ATOM   1142 C CD1 . PHE A 1 131 ? -14.711 -15.393 -19.634 1.00 16.55 ? 137 PHE B CD1 1 
ATOM   1143 C CD2 . PHE A 1 131 ? -15.566 -17.337 -18.574 1.00 16.91 ? 137 PHE B CD2 1 
ATOM   1144 C CE1 . PHE A 1 131 ? -13.540 -16.085 -19.928 1.00 19.13 ? 137 PHE B CE1 1 
ATOM   1145 C CE2 . PHE A 1 131 ? -14.417 -18.042 -18.917 1.00 18.75 ? 137 PHE B CE2 1 
ATOM   1146 C CZ  . PHE A 1 131 ? -13.407 -17.410 -19.586 1.00 16.67 ? 137 PHE B CZ  1 
ATOM   1147 N N   . VAL A 1 132 ? -17.610 -16.187 -21.775 1.00 12.20 ? 138 VAL B N   1 
ATOM   1148 C CA  . VAL A 1 132 ? -17.758 -17.393 -22.628 1.00 12.86 ? 138 VAL B CA  1 
ATOM   1149 C C   . VAL A 1 132 ? -16.375 -17.980 -22.921 1.00 12.04 ? 138 VAL B C   1 
ATOM   1150 O O   . VAL A 1 132 ? -15.504 -17.278 -23.395 1.00 14.64 ? 138 VAL B O   1 
ATOM   1151 C CB  . VAL A 1 132 ? -18.497 -17.074 -23.937 1.00 12.59 ? 138 VAL B CB  1 
ATOM   1152 C CG1 . VAL A 1 132 ? -18.652 -18.347 -24.778 1.00 14.72 ? 138 VAL B CG1 1 
ATOM   1153 C CG2 . VAL A 1 132 ? -19.844 -16.448 -23.621 1.00 14.73 ? 138 VAL B CG2 1 
ATOM   1154 N N   . ASP A 1 133 ? -16.222 -19.256 -22.600 1.00 12.75 ? 139 ASP B N   1 
ATOM   1155 C CA  . ASP A 1 133 ? -15.044 -20.055 -23.062 1.00 14.66 ? 139 ASP B CA  1 
ATOM   1156 C C   . ASP A 1 133 ? -15.558 -21.065 -24.084 1.00 13.00 ? 139 ASP B C   1 
ATOM   1157 O O   . ASP A 1 133 ? -16.208 -22.062 -23.722 1.00 14.13 ? 139 ASP B O   1 
ATOM   1158 C CB  . ASP A 1 133 ? -14.326 -20.656 -21.869 1.00 13.90 ? 139 ASP B CB  1 
ATOM   1159 C CG  . ASP A 1 133 ? -13.060 -21.411 -22.256 1.00 16.91 ? 139 ASP B CG  1 
ATOM   1160 O OD1 . ASP A 1 133 ? -12.956 -21.849 -23.433 1.00 17.96 ? 139 ASP B OD1 1 
ATOM   1161 O OD2 . ASP A 1 133 ? -12.235 -21.614 -21.315 1.00 21.28 ? 139 ASP B OD2 1 
ATOM   1162 N N   . TYR A 1 134 ? -15.340 -20.782 -25.375 1.00 13.89 ? 140 TYR B N   1 
ATOM   1163 C CA  . TYR A 1 134 ? -15.921 -21.608 -26.448 1.00 13.66 ? 140 TYR B CA  1 
ATOM   1164 C C   . TYR A 1 134 ? -15.397 -23.061 -26.377 1.00 14.23 ? 140 TYR B C   1 
ATOM   1165 O O   . TYR A 1 134 ? -16.159 -24.007 -26.310 1.00 16.26 ? 140 TYR B O   1 
ATOM   1166 C CB  . TYR A 1 134 ? -15.658 -20.985 -27.819 1.00 14.08 ? 140 TYR B CB  1 
ATOM   1167 C CG  . TYR A 1 134 ? -16.597 -21.546 -28.854 1.00 13.84 ? 140 TYR B CG  1 
ATOM   1168 C CD1 . TYR A 1 134 ? -16.420 -22.833 -29.349 1.00 13.68 ? 140 TYR B CD1 1 
ATOM   1169 C CD2 . TYR A 1 134 ? -17.754 -20.883 -29.242 1.00 14.39 ? 140 TYR B CD2 1 
ATOM   1170 C CE1 . TYR A 1 134 ? -17.295 -23.426 -30.227 1.00 14.84 ? 140 TYR B CE1 1 
ATOM   1171 C CE2 . TYR A 1 134 ? -18.653 -21.468 -30.127 1.00 13.70 ? 140 TYR B CE2 1 
ATOM   1172 C CZ  . TYR A 1 134 ? -18.438 -22.751 -30.621 1.00 13.71 ? 140 TYR B CZ  1 
ATOM   1173 O OH  . TYR A 1 134 ? -19.313 -23.341 -31.486 1.00 14.45 ? 140 TYR B OH  1 
ATOM   1174 N N   . GLU A 1 135 ? -14.092 -23.200 -26.279 1.00 16.15 ? 141 GLU B N   1 
ATOM   1175 C CA  . GLU A 1 135 ? -13.490 -24.561 -26.300 1.00 17.38 ? 141 GLU B CA  1 
ATOM   1176 C C   . GLU A 1 135 ? -13.914 -25.353 -25.079 1.00 15.74 ? 141 GLU B C   1 
ATOM   1177 O O   . GLU A 1 135 ? -14.230 -26.569 -25.224 1.00 18.36 ? 141 GLU B O   1 
ATOM   1178 C CB  . GLU A 1 135 ? -11.977 -24.449 -26.400 1.00 18.52 ? 141 GLU B CB  1 
ATOM   1179 C CG  . GLU A 1 135 ? -11.532 -24.280 -27.857 1.00 25.39 ? 141 GLU B CG  1 
ATOM   1180 C CD  . GLU A 1 135 ? -11.860 -22.937 -28.424 1.00 27.27 ? 141 GLU B CD  1 
ATOM   1181 O OE1 . GLU A 1 135 ? -12.136 -22.873 -29.593 1.00 27.47 ? 141 GLU B OE1 1 
ATOM   1182 O OE2 . GLU A 1 135 ? -11.880 -21.943 -27.645 1.00 31.51 ? 141 GLU B OE2 1 
ATOM   1183 N N   . ALA A 1 136 ? -13.964 -24.742 -23.902 1.00 15.41 ? 142 ALA B N   1 
ATOM   1184 C CA  . ALA A 1 136 ? -14.318 -25.450 -22.662 1.00 16.24 ? 142 ALA B CA  1 
ATOM   1185 C C   . ALA A 1 136 ? -15.823 -25.730 -22.576 1.00 16.56 ? 142 ALA B C   1 
ATOM   1186 O O   . ALA A 1 136 ? -16.235 -26.611 -21.782 1.00 18.21 ? 142 ALA B O   1 
ATOM   1187 C CB  . ALA A 1 136 ? -13.862 -24.635 -21.486 1.00 16.65 ? 142 ALA B CB  1 
ATOM   1188 N N   . GLY A 1 137 ? -16.660 -25.051 -23.356 1.00 13.26 ? 143 GLY B N   1 
ATOM   1189 C CA  . GLY A 1 137 ? -18.103 -25.212 -23.272 1.00 13.23 ? 143 GLY B CA  1 
ATOM   1190 C C   . GLY A 1 137 ? -18.621 -24.615 -21.960 1.00 12.81 ? 143 GLY B C   1 
ATOM   1191 O O   . GLY A 1 137 ? -19.426 -25.287 -21.291 1.00 13.61 ? 143 GLY B O   1 
ATOM   1192 N N   . VAL A 1 138 ? -18.264 -23.362 -21.684 1.00 13.01 ? 144 VAL B N   1 
ATOM   1193 C CA  . VAL A 1 138 ? -18.634 -22.661 -20.415 1.00 12.38 ? 144 VAL B CA  1 
ATOM   1194 C C   . VAL A 1 138 ? -19.247 -21.297 -20.725 1.00 13.04 ? 144 VAL B C   1 
ATOM   1195 O O   . VAL A 1 138 ? -18.676 -20.519 -21.527 1.00 14.27 ? 144 VAL B O   1 
ATOM   1196 C CB  . VAL A 1 138 ? -17.394 -22.505 -19.524 1.00 13.46 ? 144 VAL B CB  1 
ATOM   1197 C CG1 . VAL A 1 138 ? -17.617 -21.559 -18.349 1.00 13.78 ? 144 VAL B CG1 1 
ATOM   1198 C CG2 . VAL A 1 138 ? -16.932 -23.868 -19.048 1.00 15.25 ? 144 VAL B CG2 1 
ATOM   1199 N N   . VAL A 1 139 ? -20.361 -20.995 -20.049 1.00 12.27 ? 145 VAL B N   1 
ATOM   1200 C CA  . VAL A 1 139 ? -20.883 -19.608 -19.996 1.00 11.20 ? 145 VAL B CA  1 
ATOM   1201 C C   . VAL A 1 139 ? -21.080 -19.248 -18.516 1.00 11.03 ? 145 VAL B C   1 
ATOM   1202 O O   . VAL A 1 139 ? -21.866 -19.961 -17.861 1.00 12.84 ? 145 VAL B O   1 
ATOM   1203 C CB  . VAL A 1 139 ? -22.205 -19.478 -20.773 1.00 11.85 ? 145 VAL B CB  1 
ATOM   1204 C CG1 . VAL A 1 139 ? -22.698 -18.023 -20.767 1.00 11.44 ? 145 VAL B CG1 1 
ATOM   1205 C CG2 . VAL A 1 139 ? -22.087 -20.010 -22.186 1.00 11.96 ? 145 VAL B CG2 1 
ATOM   1206 N N   . SER A 1 140 ? -20.444 -18.203 -18.047 1.00 11.45 ? 146 SER B N   1 
ATOM   1207 C CA  . SER A 1 140 ? -20.545 -17.792 -16.626 1.00 12.01 ? 146 SER B CA  1 
ATOM   1208 C C   . SER A 1 140 ? -21.029 -16.349 -16.527 1.00 11.47 ? 146 SER B C   1 
ATOM   1209 O O   . SER A 1 140 ? -20.729 -15.509 -17.380 1.00 13.04 ? 146 SER B O   1 
ATOM   1210 C CB  . SER A 1 140 ? -19.199 -17.960 -15.941 1.00 12.64 ? 146 SER B CB  1 
ATOM   1211 O OG  . SER A 1 140 ? -18.850 -19.344 -15.830 1.00 13.52 ? 146 SER B OG  1 
ATOM   1212 N N   . PHE A 1 141 ? -21.734 -16.084 -15.429 1.00 11.50 ? 147 PHE B N   1 
ATOM   1213 C CA  . PHE A 1 141 ? -22.341 -14.773 -15.127 1.00 11.26 ? 147 PHE B CA  1 
ATOM   1214 C C   . PHE A 1 141 ? -21.806 -14.300 -13.779 1.00 11.24 ? 147 PHE B C   1 
ATOM   1215 O O   . PHE A 1 141 ? -21.816 -15.089 -12.801 1.00 12.57 ? 147 PHE B O   1 
ATOM   1216 C CB  . PHE A 1 141 ? -23.885 -14.865 -15.120 1.00 11.23 ? 147 PHE B CB  1 
ATOM   1217 C CG  . PHE A 1 141 ? -24.445 -15.275 -16.457 1.00 10.94 ? 147 PHE B CG  1 
ATOM   1218 C CD1 . PHE A 1 141 ? -24.529 -16.624 -16.818 1.00 10.78 ? 147 PHE B CD1 1 
ATOM   1219 C CD2 . PHE A 1 141 ? -24.957 -14.310 -17.319 1.00 11.84 ? 147 PHE B CD2 1 
ATOM   1220 C CE1 . PHE A 1 141 ? -25.030 -16.980 -18.080 1.00 11.33 ? 147 PHE B CE1 1 
ATOM   1221 C CE2 . PHE A 1 141 ? -25.433 -14.689 -18.578 1.00 11.08 ? 147 PHE B CE2 1 
ATOM   1222 C CZ  . PHE A 1 141 ? -25.516 -16.011 -18.925 1.00 10.65 ? 147 PHE B CZ  1 
ATOM   1223 N N   . TYR A 1 142 ? -21.513 -13.005 -13.723 1.00 12.02 ? 148 TYR B N   1 
ATOM   1224 C CA  . TYR A 1 142 ? -20.870 -12.376 -12.540 1.00 14.23 ? 148 TYR B CA  1 
ATOM   1225 C C   . TYR A 1 142 ? -21.648 -11.133 -12.120 1.00 15.01 ? 148 TYR B C   1 
ATOM   1226 O O   . TYR A 1 142 ? -22.128 -10.360 -12.927 1.00 15.14 ? 148 TYR B O   1 
ATOM   1227 C CB  . TYR A 1 142 ? -19.395 -12.077 -12.784 1.00 13.70 ? 148 TYR B CB  1 
ATOM   1228 C CG  . TYR A 1 142 ? -18.579 -13.322 -13.062 1.00 15.16 ? 148 TYR B CG  1 
ATOM   1229 C CD1 . TYR A 1 142 ? -18.089 -14.097 -12.038 1.00 15.72 ? 148 TYR B CD1 1 
ATOM   1230 C CD2 . TYR A 1 142 ? -18.375 -13.773 -14.352 1.00 15.85 ? 148 TYR B CD2 1 
ATOM   1231 C CE1 . TYR A 1 142 ? -17.400 -15.281 -12.278 1.00 16.01 ? 148 TYR B CE1 1 
ATOM   1232 C CE2 . TYR A 1 142 ? -17.689 -14.954 -14.615 1.00 15.73 ? 148 TYR B CE2 1 
ATOM   1233 C CZ  . TYR A 1 142 ? -17.141 -15.688 -13.584 1.00 16.41 ? 148 TYR B CZ  1 
ATOM   1234 O OH  . TYR A 1 142 ? -16.511 -16.895 -13.859 1.00 18.39 ? 148 TYR B OH  1 
ATOM   1235 N N   . ASN A 1 143 ? -21.713 -10.923 -10.804 1.00 15.46 ? 149 ASN B N   1 
ATOM   1236 C CA  . ASN A 1 143 ? -22.412 -9.752  -10.194 1.00 15.28 ? 149 ASN B CA  1 
ATOM   1237 C C   . ASN A 1 143 ? -21.372 -8.643  -10.003 1.00 15.99 ? 149 ASN B C   1 
ATOM   1238 O O   . ASN A 1 143 ? -20.619 -8.676  -9.009  1.00 16.65 ? 149 ASN B O   1 
ATOM   1239 C CB  . ASN A 1 143 ? -23.031 -10.186 -8.870  1.00 15.22 ? 149 ASN B CB  1 
ATOM   1240 C CG  . ASN A 1 143 ? -23.843 -9.087  -8.199  1.00 14.67 ? 149 ASN B CG  1 
ATOM   1241 O OD1 . ASN A 1 143 ? -23.674 -7.929  -8.572  1.00 17.15 ? 149 ASN B OD1 1 
ATOM   1242 N ND2 . ASN A 1 143 ? -24.740 -9.458  -7.315  1.00 16.11 ? 149 ASN B ND2 1 
ATOM   1243 N N   . ILE A 1 144 ? -21.309 -7.650  -10.887 1.00 16.18 ? 150 ILE B N   1 
ATOM   1244 C CA  . ILE A 1 144 ? -20.238 -6.624  -10.858 1.00 16.53 ? 150 ILE B CA  1 
ATOM   1245 C C   . ILE A 1 144 ? -20.492 -5.747  -9.607  1.00 18.25 ? 150 ILE B C   1 
ATOM   1246 O O   . ILE A 1 144 ? -19.507 -5.280  -9.007  1.00 21.17 ? 150 ILE B O   1 
ATOM   1247 C CB  . ILE A 1 144 ? -20.236 -5.816  -12.165 1.00 18.33 ? 150 ILE B CB  1 
ATOM   1248 C CG1 . ILE A 1 144 ? -20.046 -6.701  -13.402 1.00 18.24 ? 150 ILE B CG1 1 
ATOM   1249 C CG2 . ILE A 1 144 ? -19.204 -4.700  -12.117 1.00 19.97 ? 150 ILE B CG2 1 
ATOM   1250 C CD1 . ILE A 1 144 ? -18.930 -7.681  -13.259 1.00 22.63 ? 150 ILE B CD1 1 
ATOM   1251 N N   . THR A 1 145 ? -21.740 -5.545  -9.230  1.00 16.93 ? 151 THR B N   1 
ATOM   1252 C CA  . THR A 1 145 ? -22.106 -4.700  -8.033  1.00 18.08 ? 151 THR B CA  1 
ATOM   1253 C C   . THR A 1 145 ? -21.573 -5.331  -6.749  1.00 21.55 ? 151 THR B C   1 
ATOM   1254 O O   . THR A 1 145 ? -21.190 -4.581  -5.848  1.00 25.66 ? 151 THR B O   1 
ATOM   1255 C CB  . THR A 1 145 ? -23.633 -4.559  -7.971  1.00 17.92 ? 151 THR B CB  1 
ATOM   1256 O OG1 . THR A 1 145 ? -24.033 -4.092  -9.259  1.00 17.80 ? 151 THR B OG1 1 
ATOM   1257 C CG2 . THR A 1 145 ? -24.086 -3.594  -6.901  1.00 20.40 ? 151 THR B CG2 1 
ATOM   1258 N N   . ASP A 1 146 ? -21.529 -6.657  -6.666  1.00 20.48 ? 152 ASP B N   1 
ATOM   1259 C CA  . ASP A 1 146 ? -20.995 -7.428  -5.505  1.00 21.39 ? 152 ASP B CA  1 
ATOM   1260 C C   . ASP A 1 146 ? -19.574 -7.954  -5.781  1.00 21.27 ? 152 ASP B C   1 
ATOM   1261 O O   . ASP A 1 146 ? -19.350 -9.161  -5.621  1.00 22.72 ? 152 ASP B O   1 
ATOM   1262 C CB  . ASP A 1 146 ? -22.016 -8.473  -5.141  1.00 21.44 ? 152 ASP B CB  1 
ATOM   1263 C CG  . ASP A 1 146 ? -21.659 -9.232  -3.894  1.00 26.29 ? 152 ASP B CG  1 
ATOM   1264 O OD1 . ASP A 1 146 ? -21.236 -8.565  -2.927  1.00 26.78 ? 152 ASP B OD1 1 
ATOM   1265 O OD2 . ASP A 1 146 ? -21.793 -10.468 -3.929  1.00 25.98 ? 152 ASP B OD2 1 
ATOM   1266 N N   . HIS A 1 147 ? -18.655 -7.085  -6.181  1.00 22.96 ? 153 HIS B N   1 
ATOM   1267 C CA  . HIS A 1 147 ? -17.202 -7.383  -6.267  1.00 27.02 ? 153 HIS B CA  1 
ATOM   1268 C C   . HIS A 1 147 ? -17.000 -8.582  -7.207  1.00 27.26 ? 153 HIS B C   1 
ATOM   1269 O O   . HIS A 1 147 ? -16.054 -9.334  -7.017  1.00 27.55 ? 153 HIS B O   1 
ATOM   1270 C CB  . HIS A 1 147 ? -16.603 -7.714  -4.893  1.00 33.13 ? 153 HIS B CB  1 
ATOM   1271 C CG  . HIS A 1 147 ? -16.885 -6.738  -3.792  1.00 42.00 ? 153 HIS B CG  1 
ATOM   1272 N ND1 . HIS A 1 147 ? -16.487 -5.409  -3.846  1.00 53.05 ? 153 HIS B ND1 1 
ATOM   1273 C CD2 . HIS A 1 147 ? -17.481 -6.907  -2.588  1.00 50.14 ? 153 HIS B CD2 1 
ATOM   1274 C CE1 . HIS A 1 147 ? -16.858 -4.792  -2.736  1.00 54.08 ? 153 HIS B CE1 1 
ATOM   1275 N NE2 . HIS A 1 147 ? -17.466 -5.695  -1.941  1.00 54.03 ? 153 HIS B NE2 1 
ATOM   1276 N N   . GLY A 1 148 ? -17.880 -8.774  -8.189  1.00 22.01 ? 154 GLY B N   1 
ATOM   1277 C CA  . GLY A 1 148 ? -17.628 -9.794  -9.227  1.00 18.78 ? 154 GLY B CA  1 
ATOM   1278 C C   . GLY A 1 148 ? -18.045 -11.182 -8.812  1.00 17.36 ? 154 GLY B C   1 
ATOM   1279 O O   . GLY A 1 148 ? -17.502 -12.109 -9.377  1.00 17.51 ? 154 GLY B O   1 
ATOM   1280 N N   . SER A 1 149 ? -18.876 -11.333 -7.802  1.00 17.14 ? 155 SER B N   1 
ATOM   1281 C CA  . SER A 1 149 ? -19.245 -12.661 -7.273  1.00 14.97 ? 155 SER B CA  1 
ATOM   1282 C C   . SER A 1 149 ? -19.908 -13.510 -8.358  1.00 16.01 ? 155 SER B C   1 
ATOM   1283 O O   . SER A 1 149 ? -20.704 -12.987 -9.169  1.00 16.48 ? 155 SER B O   1 
ATOM   1284 C CB  . SER A 1 149 ? -20.104 -12.574 -6.049  1.00 16.31 ? 155 SER B CB  1 
ATOM   1285 O OG  . SER A 1 149 ? -21.301 -11.793 -6.200  1.00 17.12 ? 155 SER B OG  1 
ATOM   1286 N N   . LEU A 1 150 ? -19.715 -14.807 -8.301  1.00 15.09 ? 156 LEU B N   1 
ATOM   1287 C CA  . LEU A 1 150 ? -20.356 -15.704 -9.298  1.00 13.65 ? 156 LEU B CA  1 
ATOM   1288 C C   . LEU A 1 150 ? -21.859 -15.775 -9.076  1.00 13.08 ? 156 LEU B C   1 
ATOM   1289 O O   . LEU A 1 150 ? -22.356 -16.010 -7.947  1.00 14.46 ? 156 LEU B O   1 
ATOM   1290 C CB  . LEU A 1 150 ? -19.739 -17.107 -9.208  1.00 14.30 ? 156 LEU B CB  1 
ATOM   1291 C CG  . LEU A 1 150 ? -20.280 -18.167 -10.177 1.00 14.19 ? 156 LEU B CG  1 
ATOM   1292 C CD1 . LEU A 1 150 ? -19.898 -17.902 -11.615 1.00 13.94 ? 156 LEU B CD1 1 
ATOM   1293 C CD2 . LEU A 1 150 ? -19.713 -19.547 -9.774  1.00 15.21 ? 156 LEU B CD2 1 
ATOM   1294 N N   . ILE A 1 151 ? -22.605 -15.649 -10.164 1.00 11.91 ? 157 ILE B N   1 
ATOM   1295 C CA  . ILE A 1 151 ? -24.061 -15.853 -10.207 1.00 12.98 ? 157 ILE B CA  1 
ATOM   1296 C C   . ILE A 1 151 ? -24.375 -17.287 -10.663 1.00 12.31 ? 157 ILE B C   1 
ATOM   1297 O O   . ILE A 1 151 ? -25.201 -17.973 -10.061 1.00 13.03 ? 157 ILE B O   1 
ATOM   1298 C CB  . ILE A 1 151 ? -24.725 -14.776 -11.095 1.00 13.41 ? 157 ILE B CB  1 
ATOM   1299 C CG1 . ILE A 1 151 ? -24.569 -13.384 -10.513 1.00 13.37 ? 157 ILE B CG1 1 
ATOM   1300 C CG2 . ILE A 1 151 ? -26.186 -15.109 -11.321 1.00 12.71 ? 157 ILE B CG2 1 
ATOM   1301 C CD1 . ILE A 1 151 ? -24.988 -12.277 -11.460 1.00 14.58 ? 157 ILE B CD1 1 
ATOM   1302 N N   . TYR A 1 152 ? -23.822 -17.690 -11.823 1.00 11.52 ? 158 TYR B N   1 
ATOM   1303 C CA  . TYR A 1 152 ? -24.193 -19.007 -12.414 1.00 10.97 ? 158 TYR B CA  1 
ATOM   1304 C C   . TYR A 1 152 ? -23.135 -19.383 -13.463 1.00 11.29 ? 158 TYR B C   1 
ATOM   1305 O O   . TYR A 1 152 ? -22.672 -18.510 -14.217 1.00 11.76 ? 158 TYR B O   1 
ATOM   1306 C CB  . TYR A 1 152 ? -25.576 -18.945 -13.118 1.00 11.46 ? 158 TYR B CB  1 
ATOM   1307 C CG  . TYR A 1 152 ? -26.101 -20.305 -13.460 1.00 11.43 ? 158 TYR B CG  1 
ATOM   1308 C CD1 . TYR A 1 152 ? -26.738 -21.109 -12.517 1.00 12.59 ? 158 TYR B CD1 1 
ATOM   1309 C CD2 . TYR A 1 152 ? -25.969 -20.826 -14.740 1.00 11.26 ? 158 TYR B CD2 1 
ATOM   1310 C CE1 . TYR A 1 152 ? -27.137 -22.398 -12.815 1.00 12.68 ? 158 TYR B CE1 1 
ATOM   1311 C CE2 . TYR A 1 152 ? -26.414 -22.099 -15.045 1.00 12.12 ? 158 TYR B CE2 1 
ATOM   1312 C CZ  . TYR A 1 152 ? -27.000 -22.886 -14.091 1.00 12.90 ? 158 TYR B CZ  1 
ATOM   1313 O OH  . TYR A 1 152 ? -27.379 -24.176 -14.326 1.00 14.75 ? 158 TYR B OH  1 
ATOM   1314 N N   . THR A 1 153 ? -22.884 -20.687 -13.545 1.00 11.55 ? 159 THR B N   1 
ATOM   1315 C CA  . THR A 1 153 ? -22.023 -21.310 -14.587 1.00 12.60 ? 159 THR B CA  1 
ATOM   1316 C C   . THR A 1 153 ? -22.833 -22.394 -15.273 1.00 11.41 ? 159 THR B C   1 
ATOM   1317 O O   . THR A 1 153 ? -23.198 -23.418 -14.665 1.00 12.72 ? 159 THR B O   1 
ATOM   1318 C CB  . THR A 1 153 ? -20.686 -21.840 -14.033 1.00 13.32 ? 159 THR B CB  1 
ATOM   1319 O OG1 . THR A 1 153 ? -19.904 -20.720 -13.648 1.00 13.13 ? 159 THR B OG1 1 
ATOM   1320 C CG2 . THR A 1 153 ? -19.927 -22.662 -15.056 1.00 13.82 ? 159 THR B CG2 1 
ATOM   1321 N N   . PHE A 1 154 ? -23.018 -22.230 -16.597 1.00 12.07 ? 160 PHE B N   1 
ATOM   1322 C CA  . PHE A 1 154 ? -23.406 -23.346 -17.496 1.00 12.07 ? 160 PHE B CA  1 
ATOM   1323 C C   . PHE A 1 154 ? -22.115 -24.045 -17.937 1.00 12.46 ? 160 PHE B C   1 
ATOM   1324 O O   . PHE A 1 154 ? -21.257 -23.402 -18.516 1.00 12.68 ? 160 PHE B O   1 
ATOM   1325 C CB  . PHE A 1 154 ? -24.080 -22.847 -18.773 1.00 12.36 ? 160 PHE B CB  1 
ATOM   1326 C CG  . PHE A 1 154 ? -25.453 -22.246 -18.613 1.00 10.31 ? 160 PHE B CG  1 
ATOM   1327 C CD1 . PHE A 1 154 ? -25.608 -20.869 -18.384 1.00 10.06 ? 160 PHE B CD1 1 
ATOM   1328 C CD2 . PHE A 1 154 ? -26.589 -22.996 -18.836 1.00 11.35 ? 160 PHE B CD2 1 
ATOM   1329 C CE1 . PHE A 1 154 ? -26.889 -20.335 -18.288 1.00 10.57 ? 160 PHE B CE1 1 
ATOM   1330 C CE2 . PHE A 1 154 ? -27.873 -22.454 -18.735 1.00 11.56 ? 160 PHE B CE2 1 
ATOM   1331 C CZ  . PHE A 1 154 ? -27.994 -21.106 -18.513 1.00 10.12 ? 160 PHE B CZ  1 
ATOM   1332 N N   . SER A 1 155 ? -22.019 -25.345 -17.653 1.00 13.50 ? 161 SER B N   1 
ATOM   1333 C CA  . SER A 1 155 ? -20.856 -26.113 -18.099 1.00 15.33 ? 161 SER B CA  1 
ATOM   1334 C C   . SER A 1 155 ? -21.324 -27.269 -18.989 1.00 14.96 ? 161 SER B C   1 
ATOM   1335 O O   . SER A 1 155 ? -22.533 -27.537 -19.075 1.00 15.83 ? 161 SER B O   1 
ATOM   1336 C CB  . SER A 1 155 ? -20.044 -26.537 -16.908 1.00 18.08 ? 161 SER B CB  1 
ATOM   1337 O OG  . SER A 1 155 ? -20.697 -27.522 -16.175 1.00 20.40 ? 161 SER B OG  1 
ATOM   1338 N N   . GLU A 1 156 ? -20.362 -27.907 -19.666 1.00 17.92 ? 162 GLU B N   1 
ATOM   1339 C CA  . GLU A 1 156 ? -20.672 -28.978 -20.654 1.00 18.46 ? 162 GLU B CA  1 
ATOM   1340 C C   . GLU A 1 156 ? -21.657 -28.441 -21.702 1.00 17.30 ? 162 GLU B C   1 
ATOM   1341 O O   . GLU A 1 156 ? -22.619 -29.166 -22.125 1.00 18.85 ? 162 GLU B O   1 
ATOM   1342 C CB  . GLU A 1 156 ? -21.312 -30.205 -20.019 1.00 23.13 ? 162 GLU B CB  1 
ATOM   1343 C CG  . GLU A 1 156 ? -20.662 -30.702 -18.753 1.00 28.50 ? 162 GLU B CG  1 
ATOM   1344 C CD  . GLU A 1 156 ? -21.296 -32.018 -18.346 1.00 38.48 ? 162 GLU B CD  1 
ATOM   1345 O OE1 . GLU A 1 156 ? -22.376 -32.006 -17.682 1.00 42.02 ? 162 GLU B OE1 1 
ATOM   1346 O OE2 . GLU A 1 156 ? -20.766 -33.053 -18.783 1.00 45.68 ? 162 GLU B OE2 1 
ATOM   1347 N N   . CYS A 1 157 ? -21.493 -27.172 -22.075 1.00 15.33 ? 163 CYS B N   1 
ATOM   1348 C CA  . CYS A 1 157 ? -22.365 -26.566 -23.110 1.00 14.00 ? 163 CYS B CA  1 
ATOM   1349 C C   . CYS A 1 157 ? -22.119 -27.217 -24.484 1.00 15.09 ? 163 CYS B C   1 
ATOM   1350 O O   . CYS A 1 157 ? -20.929 -27.430 -24.825 1.00 17.05 ? 163 CYS B O   1 
ATOM   1351 C CB  . CYS A 1 157 ? -22.181 -25.064 -23.246 1.00 13.56 ? 163 CYS B CB  1 
ATOM   1352 S SG  . CYS A 1 157 ? -22.607 -24.137 -21.737 1.00 14.50 ? 163 CYS B SG  1 
ATOM   1353 N N   . VAL A 1 158 ? -23.189 -27.461 -25.221 1.00 14.21 ? 164 VAL B N   1 
ATOM   1354 C CA  . VAL A 1 158 ? -23.033 -27.974 -26.603 1.00 15.24 ? 164 VAL B CA  1 
ATOM   1355 C C   . VAL A 1 158 ? -23.478 -26.846 -27.540 1.00 13.93 ? 164 VAL B C   1 
ATOM   1356 O O   . VAL A 1 158 ? -24.662 -26.766 -27.907 1.00 15.68 ? 164 VAL B O   1 
ATOM   1357 C CB  . VAL A 1 158 ? -23.780 -29.308 -26.760 1.00 17.82 ? 164 VAL B CB  1 
ATOM   1358 C CG1 . VAL A 1 158 ? -23.623 -29.794 -28.202 1.00 19.07 ? 164 VAL B CG1 1 
ATOM   1359 C CG2 . VAL A 1 158 ? -23.289 -30.338 -25.748 1.00 18.81 ? 164 VAL B CG2 1 
ATOM   1360 N N   . PHE A 1 159 ? -22.579 -25.922 -27.882 1.00 13.55 ? 165 PHE B N   1 
ATOM   1361 C CA  . PHE A 1 159 ? -22.943 -24.682 -28.611 1.00 13.95 ? 165 PHE B CA  1 
ATOM   1362 C C   . PHE A 1 159 ? -23.491 -25.031 -29.998 1.00 15.80 ? 165 PHE B C   1 
ATOM   1363 O O   . PHE A 1 159 ? -24.508 -24.467 -30.414 1.00 14.81 ? 165 PHE B O   1 
ATOM   1364 C CB  . PHE A 1 159 ? -21.789 -23.699 -28.619 1.00 13.96 ? 165 PHE B CB  1 
ATOM   1365 C CG  . PHE A 1 159 ? -21.345 -23.222 -27.252 1.00 12.60 ? 165 PHE B CG  1 
ATOM   1366 C CD1 . PHE A 1 159 ? -22.283 -22.722 -26.357 1.00 13.15 ? 165 PHE B CD1 1 
ATOM   1367 C CD2 . PHE A 1 159 ? -19.996 -23.205 -26.913 1.00 14.58 ? 165 PHE B CD2 1 
ATOM   1368 C CE1 . PHE A 1 159 ? -21.865 -22.279 -25.099 1.00 13.26 ? 165 PHE B CE1 1 
ATOM   1369 C CE2 . PHE A 1 159 ? -19.579 -22.745 -25.677 1.00 15.40 ? 165 PHE B CE2 1 
ATOM   1370 C CZ  . PHE A 1 159 ? -20.514 -22.238 -24.799 1.00 14.08 ? 165 PHE B CZ  1 
ATOM   1371 N N   . ALA A 1 160 ? -22.839 -25.964 -30.676 1.00 15.36 ? 166 ALA B N   1 
ATOM   1372 C CA  . ALA A 1 160 ? -23.278 -26.524 -31.972 1.00 15.48 ? 166 ALA B CA  1 
ATOM   1373 C C   . ALA A 1 160 ? -23.386 -25.435 -33.061 1.00 15.40 ? 166 ALA B C   1 
ATOM   1374 O O   . ALA A 1 160 ? -24.204 -25.610 -34.013 1.00 15.95 ? 166 ALA B O   1 
ATOM   1375 C CB  . ALA A 1 160 ? -24.548 -27.304 -31.814 1.00 15.38 ? 166 ALA B CB  1 
ATOM   1376 N N   . GLY A 1 161 ? -22.635 -24.356 -32.964 1.00 16.45 ? 167 GLY B N   1 
ATOM   1377 C CA  . GLY A 1 161 ? -22.658 -23.275 -33.963 1.00 17.13 ? 167 GLY B CA  1 
ATOM   1378 C C   . GLY A 1 161 ? -21.956 -22.040 -33.460 1.00 15.67 ? 167 GLY B C   1 
ATOM   1379 O O   . GLY A 1 161 ? -21.553 -21.998 -32.285 1.00 14.32 ? 167 GLY B O   1 
ATOM   1380 N N   . PRO A 1 162 ? -21.857 -20.999 -34.279 1.00 14.21 ? 168 PRO B N   1 
ATOM   1381 C CA  . PRO A 1 162 ? -21.363 -19.693 -33.853 1.00 13.75 ? 168 PRO B CA  1 
ATOM   1382 C C   . PRO A 1 162 ? -22.316 -19.144 -32.774 1.00 14.18 ? 168 PRO B C   1 
ATOM   1383 O O   . PRO A 1 162 ? -23.523 -19.393 -32.841 1.00 14.21 ? 168 PRO B O   1 
ATOM   1384 C CB  . PRO A 1 162 ? -21.366 -18.802 -35.104 1.00 14.53 ? 168 PRO B CB  1 
ATOM   1385 C CG  . PRO A 1 162 ? -21.482 -19.807 -36.253 1.00 14.72 ? 168 PRO B CG  1 
ATOM   1386 C CD  . PRO A 1 162 ? -22.221 -20.990 -35.709 1.00 13.84 ? 168 PRO B CD  1 
ATOM   1387 N N   . LEU A 1 163 ? -21.753 -18.401 -31.847 1.00 14.62 ? 169 LEU B N   1 
ATOM   1388 C CA  . LEU A 1 163 ? -22.524 -17.759 -30.746 1.00 12.39 ? 169 LEU B CA  1 
ATOM   1389 C C   . LEU A 1 163 ? -22.632 -16.256 -30.991 1.00 13.28 ? 169 LEU B C   1 
ATOM   1390 O O   . LEU A 1 163 ? -21.684 -15.620 -31.444 1.00 14.52 ? 169 LEU B O   1 
ATOM   1391 C CB  . LEU A 1 163 ? -21.838 -18.000 -29.399 1.00 12.50 ? 169 LEU B CB  1 
ATOM   1392 C CG  . LEU A 1 163 ? -21.863 -19.434 -28.854 1.00 12.97 ? 169 LEU B CG  1 
ATOM   1393 C CD1 . LEU A 1 163 ? -21.043 -19.471 -27.578 1.00 14.18 ? 169 LEU B CD1 1 
ATOM   1394 C CD2 . LEU A 1 163 ? -23.300 -19.907 -28.642 1.00 14.10 ? 169 LEU B CD2 1 
ATOM   1395 N N   . ARG A 1 164 ? -23.787 -15.707 -30.617 1.00 12.26 ? 170 ARG B N   1 
ATOM   1396 C CA  . ARG A 1 164 ? -24.013 -14.254 -30.586 1.00 12.48 ? 170 ARG B CA  1 
ATOM   1397 C C   . ARG A 1 164 ? -24.433 -13.789 -29.197 1.00 11.54 ? 170 ARG B C   1 
ATOM   1398 O O   . ARG A 1 164 ? -25.193 -14.484 -28.511 1.00 12.39 ? 170 ARG B O   1 
ATOM   1399 C CB  . ARG A 1 164 ? -25.075 -13.905 -31.624 1.00 13.76 ? 170 ARG B CB  1 
ATOM   1400 C CG  . ARG A 1 164 ? -24.543 -14.238 -33.022 1.00 16.11 ? 170 ARG B CG  1 
ATOM   1401 C CD  . ARG A 1 164 ? -25.455 -13.863 -34.170 1.00 18.58 ? 170 ARG B CD  1 
ATOM   1402 N NE  . ARG A 1 164 ? -25.546 -12.411 -34.271 1.00 16.95 ? 170 ARG B NE  1 
ATOM   1403 C CZ  . ARG A 1 164 ? -26.272 -11.792 -35.192 1.00 17.09 ? 170 ARG B CZ  1 
ATOM   1404 N NH1 . ARG A 1 164 ? -26.875 -12.493 -36.124 1.00 17.77 ? 170 ARG B NH1 1 
ATOM   1405 N NH2 . ARG A 1 164 ? -26.310 -10.481 -35.208 1.00 16.44 ? 170 ARG B NH2 1 
ATOM   1406 N N   . PRO A 1 165 ? -23.987 -12.588 -28.791 1.00 11.83 ? 171 PRO B N   1 
ATOM   1407 C CA  . PRO A 1 165 ? -24.510 -12.007 -27.551 1.00 10.98 ? 171 PRO B CA  1 
ATOM   1408 C C   . PRO A 1 165 ? -26.028 -11.853 -27.693 1.00 10.90 ? 171 PRO B C   1 
ATOM   1409 O O   . PRO A 1 165 ? -26.513 -11.494 -28.758 1.00 11.84 ? 171 PRO B O   1 
ATOM   1410 C CB  . PRO A 1 165 ? -23.832 -10.639 -27.455 1.00 11.66 ? 171 PRO B CB  1 
ATOM   1411 C CG  . PRO A 1 165 ? -22.521 -10.801 -28.284 1.00 13.55 ? 171 PRO B CG  1 
ATOM   1412 C CD  . PRO A 1 165 ? -22.965 -11.721 -29.409 1.00 13.85 ? 171 PRO B CD  1 
ATOM   1413 N N   . PHE A 1 166 ? -26.771 -12.091 -26.614 1.00 10.30 ? 172 PHE B N   1 
ATOM   1414 C CA  . PHE A 1 166 ? -28.240 -12.121 -26.629 1.00 10.65 ? 172 PHE B CA  1 
ATOM   1415 C C   . PHE A 1 166 ? -28.758 -11.172 -25.542 1.00 10.22 ? 172 PHE B C   1 
ATOM   1416 O O   . PHE A 1 166 ? -28.269 -11.168 -24.389 1.00 10.47 ? 172 PHE B O   1 
ATOM   1417 C CB  . PHE A 1 166 ? -28.732 -13.541 -26.367 1.00 10.29 ? 172 PHE B CB  1 
ATOM   1418 C CG  . PHE A 1 166 ? -30.227 -13.627 -26.162 1.00 10.81 ? 172 PHE B CG  1 
ATOM   1419 C CD1 . PHE A 1 166 ? -31.087 -13.636 -27.252 1.00 11.81 ? 172 PHE B CD1 1 
ATOM   1420 C CD2 . PHE A 1 166 ? -30.795 -13.657 -24.894 1.00 11.50 ? 172 PHE B CD2 1 
ATOM   1421 C CE1 . PHE A 1 166 ? -32.473 -13.699 -27.079 1.00 11.90 ? 172 PHE B CE1 1 
ATOM   1422 C CE2 . PHE A 1 166 ? -32.176 -13.705 -24.721 1.00 10.99 ? 172 PHE B CE2 1 
ATOM   1423 C CZ  . PHE A 1 166 ? -33.004 -13.727 -25.813 1.00 11.68 ? 172 PHE B CZ  1 
ATOM   1424 N N   . PHE A 1 167 ? -29.841 -10.439 -25.867 1.00 10.76 ? 173 PHE B N   1 
ATOM   1425 C CA  . PHE A 1 167 ? -30.432 -9.402  -24.990 1.00 10.26 ? 173 PHE B CA  1 
ATOM   1426 C C   . PHE A 1 167 ? -31.949 -9.472  -25.084 1.00 10.78 ? 173 PHE B C   1 
ATOM   1427 O O   . PHE A 1 167 ? -32.473 -9.537  -26.188 1.00 11.68 ? 173 PHE B O   1 
ATOM   1428 C CB  . PHE A 1 167 ? -29.970 -7.985  -25.365 1.00 10.89 ? 173 PHE B CB  1 
ATOM   1429 C CG  . PHE A 1 167 ? -28.471 -7.841  -25.480 1.00 10.65 ? 173 PHE B CG  1 
ATOM   1430 C CD1 . PHE A 1 167 ? -27.823 -8.162  -26.656 1.00 11.23 ? 173 PHE B CD1 1 
ATOM   1431 C CD2 . PHE A 1 167 ? -27.701 -7.390  -24.414 1.00 12.40 ? 173 PHE B CD2 1 
ATOM   1432 C CE1 . PHE A 1 167 ? -26.432 -8.071  -26.755 1.00 11.61 ? 173 PHE B CE1 1 
ATOM   1433 C CE2 . PHE A 1 167 ? -26.332 -7.244  -24.523 1.00 12.16 ? 173 PHE B CE2 1 
ATOM   1434 C CZ  . PHE A 1 167 ? -25.703 -7.599  -25.697 1.00 12.60 ? 173 PHE B CZ  1 
ATOM   1435 N N   . ASN A 1 168 ? -32.621 -9.297  -23.953 1.00 11.50 ? 174 ASN B N   1 
ATOM   1436 C CA  . ASN A 1 168 ? -34.083 -9.053  -23.917 1.00 11.19 ? 174 ASN B CA  1 
ATOM   1437 C C   . ASN A 1 168 ? -34.313 -7.906  -22.943 1.00 11.29 ? 174 ASN B C   1 
ATOM   1438 O O   . ASN A 1 168 ? -34.004 -8.062  -21.772 1.00 11.93 ? 174 ASN B O   1 
ATOM   1439 C CB  . ASN A 1 168 ? -34.871 -10.309 -23.528 1.00 11.71 ? 174 ASN B CB  1 
ATOM   1440 C CG  . ASN A 1 168 ? -36.371 -10.132 -23.588 1.00 13.85 ? 174 ASN B CG  1 
ATOM   1441 O OD1 . ASN A 1 168 ? -36.874 -9.056  -23.855 1.00 14.97 ? 174 ASN B OD1 1 
ATOM   1442 N ND2 . ASN A 1 168 ? -37.080 -11.214 -23.350 1.00 15.40 ? 174 ASN B ND2 1 
ATOM   1443 N N   . VAL A 1 169 ? -34.828 -6.763  -23.418 1.00 11.94 ? 175 VAL B N   1 
ATOM   1444 C CA  . VAL A 1 169 ? -35.077 -5.596  -22.522 1.00 12.42 ? 175 VAL B CA  1 
ATOM   1445 C C   . VAL A 1 169 ? -36.328 -5.843  -21.665 1.00 13.56 ? 175 VAL B C   1 
ATOM   1446 O O   . VAL A 1 169 ? -36.593 -5.032  -20.748 1.00 13.83 ? 175 VAL B O   1 
ATOM   1447 C CB  . VAL A 1 169 ? -35.196 -4.245  -23.263 1.00 13.63 ? 175 VAL B CB  1 
ATOM   1448 C CG1 . VAL A 1 169 ? -33.905 -3.937  -23.965 1.00 14.23 ? 175 VAL B CG1 1 
ATOM   1449 C CG2 . VAL A 1 169 ? -36.384 -4.232  -24.232 1.00 13.53 ? 175 VAL B CG2 1 
ATOM   1450 N N   . GLY A 1 170 ? -37.106 -6.878  -21.998 1.00 12.86 ? 176 GLY B N   1 
ATOM   1451 C CA  . GLY A 1 170 ? -38.385 -7.165  -21.311 1.00 14.49 ? 176 GLY B CA  1 
ATOM   1452 C C   . GLY A 1 170 ? -39.522 -6.250  -21.702 1.00 14.43 ? 176 GLY B C   1 
ATOM   1453 O O   . GLY A 1 170 ? -39.317 -5.171  -22.292 1.00 13.73 ? 176 GLY B O   1 
ATOM   1454 N N   . PHE A 1 171 ? -40.724 -6.689  -21.330 0.36 14.82 ? 177 PHE B N   1 
ATOM   1455 C CA  . PHE A 1 171 ? -42.006 -5.974  -21.530 0.36 14.53 ? 177 PHE B CA  1 
ATOM   1456 C C   . PHE A 1 171 ? -42.063 -4.786  -20.565 0.36 14.29 ? 177 PHE B C   1 
ATOM   1457 O O   . PHE A 1 171 ? -41.328 -4.800  -19.564 0.36 13.47 ? 177 PHE B O   1 
ATOM   1458 C CB  . PHE A 1 171 ? -43.166 -6.958  -21.348 0.36 14.78 ? 177 PHE B CB  1 
ATOM   1459 C CG  . PHE A 1 171 ? -43.230 -8.051  -22.386 0.36 14.91 ? 177 PHE B CG  1 
ATOM   1460 C CD1 . PHE A 1 171 ? -43.521 -7.746  -23.703 0.36 15.17 ? 177 PHE B CD1 1 
ATOM   1461 C CD2 . PHE A 1 171 ? -43.035 -9.382  -22.053 0.36 15.58 ? 177 PHE B CD2 1 
ATOM   1462 C CE1 . PHE A 1 171 ? -43.603 -8.740  -24.663 0.36 15.07 ? 177 PHE B CE1 1 
ATOM   1463 C CE2 . PHE A 1 171 ? -43.113 -10.377 -23.018 0.36 15.29 ? 177 PHE B CE2 1 
ATOM   1464 C CZ  . PHE A 1 171 ? -43.400 -10.051 -24.324 0.36 15.20 ? 177 PHE B CZ  1 
ATOM   1465 N N   . ASN A 1 172 ? -42.907 -3.790  -20.848 1.00 14.18 ? 178 ASN B N   1 
ATOM   1466 C CA  . ASN A 1 172 ? -43.081 -2.651  -19.915 1.00 12.72 ? 178 ASN B CA  1 
ATOM   1467 C C   . ASN A 1 172 ? -44.595 -2.484  -19.684 1.00 13.20 ? 178 ASN B C   1 
ATOM   1468 O O   . ASN A 1 172 ? -45.105 -1.331  -19.767 1.00 15.28 ? 178 ASN B O   1 
ATOM   1469 C CB  . ASN A 1 172 ? -42.407 -1.389  -20.405 1.00 14.40 ? 178 ASN B CB  1 
ATOM   1470 C CG  . ASN A 1 172 ? -42.426 -0.280  -19.397 1.00 14.02 ? 178 ASN B CG  1 
ATOM   1471 O OD1 . ASN A 1 172 ? -42.450 -0.506  -18.194 1.00 14.43 ? 178 ASN B OD1 1 
ATOM   1472 N ND2 . ASN A 1 172 ? -42.433 0.954   -19.883 1.00 15.74 ? 178 ASN B ND2 1 
ATOM   1473 N N   . TYR A 1 173 ? -45.263 -3.552  -19.337 1.00 13.66 ? 179 TYR B N   1 
ATOM   1474 C CA  . TYR A 1 173 ? -46.705 -3.469  -18.970 1.00 12.93 ? 179 TYR B CA  1 
ATOM   1475 C C   . TYR A 1 173 ? -46.877 -2.636  -17.698 1.00 14.65 ? 179 TYR B C   1 
ATOM   1476 O O   . TYR A 1 173 ? -47.950 -1.981  -17.528 1.00 15.90 ? 179 TYR B O   1 
ATOM   1477 C CB  . TYR A 1 173 ? -47.283 -4.862  -18.728 1.00 13.81 ? 179 TYR B CB  1 
ATOM   1478 C CG  . TYR A 1 173 ? -47.380 -5.742  -19.948 1.00 16.73 ? 179 TYR B CG  1 
ATOM   1479 C CD1 . TYR A 1 173 ? -48.380 -5.532  -20.880 1.00 20.05 ? 179 TYR B CD1 1 
ATOM   1480 C CD2 . TYR A 1 173 ? -46.524 -6.817  -20.124 1.00 19.54 ? 179 TYR B CD2 1 
ATOM   1481 C CE1 . TYR A 1 173 ? -48.470 -6.286  -22.045 1.00 21.85 ? 179 TYR B CE1 1 
ATOM   1482 C CE2 . TYR A 1 173 ? -46.606 -7.585  -21.291 1.00 20.82 ? 179 TYR B CE2 1 
ATOM   1483 C CZ  . TYR A 1 173 ? -47.581 -7.330  -22.234 1.00 23.06 ? 179 TYR B CZ  1 
ATOM   1484 O OH  . TYR A 1 173 ? -47.678 -8.125  -23.359 1.00 26.89 ? 179 TYR B OH  1 
ATOM   1485 N N   . SER A 1 174 ? -45.915 -2.641  -16.779 1.00 13.17 ? 180 SER B N   1 
ATOM   1486 C CA  . SER A 1 174 ? -46.001 -2.030  -15.432 1.00 14.21 ? 180 SER B CA  1 
ATOM   1487 C C   . SER A 1 174 ? -45.719 -0.527  -15.477 1.00 15.09 ? 180 SER B C   1 
ATOM   1488 O O   . SER A 1 174 ? -45.987 0.138   -14.443 1.00 16.42 ? 180 SER B O   1 
ATOM   1489 C CB  . SER A 1 174 ? -45.049 -2.632  -14.448 1.00 14.75 ? 180 SER B CB  1 
ATOM   1490 O OG  . SER A 1 174 ? -43.709 -2.433  -14.892 1.00 15.50 ? 180 SER B OG  1 
ATOM   1491 N N   . GLY A 1 175 ? -45.076 -0.042  -16.537 1.00 13.56 ? 181 GLY B N   1 
ATOM   1492 C CA  . GLY A 1 175 ? -44.528 1.328   -16.526 1.00 13.75 ? 181 GLY B CA  1 
ATOM   1493 C C   . GLY A 1 175 ? -43.273 1.458   -15.681 1.00 15.52 ? 181 GLY B C   1 
ATOM   1494 O O   . GLY A 1 175 ? -42.785 2.573   -15.521 1.00 17.55 ? 181 GLY B O   1 
ATOM   1495 N N   . GLY A 1 176 ? -42.754 0.372   -15.113 1.00 14.00 ? 182 GLY B N   1 
ATOM   1496 C CA  . GLY A 1 176 ? -41.546 0.411   -14.273 1.00 14.29 ? 182 GLY B CA  1 
ATOM   1497 C C   . GLY A 1 176 ? -40.331 -0.255  -14.940 1.00 14.51 ? 182 GLY B C   1 
ATOM   1498 O O   . GLY A 1 176 ? -39.279 -0.305  -14.262 1.00 15.95 ? 182 GLY B O   1 
ATOM   1499 N N   . ASN A 1 177 ? -40.433 -0.632  -16.212 1.00 12.17 ? 183 ASN B N   1 
ATOM   1500 C CA  . ASN A 1 177 ? -39.321 -1.331  -16.892 1.00 12.54 ? 183 ASN B CA  1 
ATOM   1501 C C   . ASN A 1 177 ? -38.875 -0.648  -18.186 1.00 13.46 ? 183 ASN B C   1 
ATOM   1502 O O   . ASN A 1 177 ? -38.348 -1.323  -19.061 1.00 14.71 ? 183 ASN B O   1 
ATOM   1503 C CB  . ASN A 1 177 ? -39.705 -2.781  -17.198 1.00 12.43 ? 183 ASN B CB  1 
ATOM   1504 C CG  . ASN A 1 177 ? -38.487 -3.629  -17.488 1.00 12.67 ? 183 ASN B CG  1 
ATOM   1505 O OD1 . ASN A 1 177 ? -37.452 -3.444  -16.868 1.00 13.22 ? 183 ASN B OD1 1 
ATOM   1506 N ND2 . ASN A 1 177 ? -38.660 -4.566  -18.410 1.00 12.72 ? 183 ASN B ND2 1 
ATOM   1507 N N   . ALA A 1 178 ? -38.997 0.667   -18.280 1.00 13.36 ? 184 ALA B N   1 
ATOM   1508 C CA  . ALA A 1 178 ? -38.603 1.414   -19.508 1.00 14.32 ? 184 ALA B CA  1 
ATOM   1509 C C   . ALA A 1 178 ? -37.081 1.563   -19.643 1.00 14.40 ? 184 ALA B C   1 
ATOM   1510 O O   . ALA A 1 178 ? -36.640 1.853   -20.784 1.00 16.64 ? 184 ALA B O   1 
ATOM   1511 C CB  . ALA A 1 178 ? -39.227 2.807   -19.486 1.00 14.57 ? 184 ALA B CB  1 
ATOM   1512 N N   . ALA A 1 179 ? -36.316 1.420   -18.562 1.00 14.26 ? 185 ALA B N   1 
ATOM   1513 C CA  . ALA A 1 179 ? -34.868 1.717   -18.597 1.00 13.87 ? 185 ALA B CA  1 
ATOM   1514 C C   . ALA A 1 179 ? -34.183 0.833   -19.639 1.00 14.39 ? 185 ALA B C   1 
ATOM   1515 O O   . ALA A 1 179 ? -34.569 -0.321  -19.878 1.00 13.75 ? 185 ALA B O   1 
ATOM   1516 C CB  . ALA A 1 179 ? -34.281 1.570   -17.238 1.00 14.01 ? 185 ALA B CB  1 
ATOM   1517 N N   . PRO A 1 180 ? -33.076 1.324   -20.245 1.00 14.36 ? 186 PRO B N   1 
ATOM   1518 C CA  . PRO A 1 180 ? -32.341 0.551   -21.250 1.00 13.77 ? 186 PRO B CA  1 
ATOM   1519 C C   . PRO A 1 180 ? -31.420 -0.540  -20.657 1.00 12.53 ? 186 PRO B C   1 
ATOM   1520 O O   . PRO A 1 180 ? -31.103 -0.506  -19.455 1.00 13.45 ? 186 PRO B O   1 
ATOM   1521 C CB  . PRO A 1 180 ? -31.449 1.628   -21.911 1.00 15.05 ? 186 PRO B CB  1 
ATOM   1522 C CG  . PRO A 1 180 ? -31.217 2.628   -20.831 1.00 16.61 ? 186 PRO B CG  1 
ATOM   1523 C CD  . PRO A 1 180 ? -32.541 2.678   -20.066 1.00 16.32 ? 186 PRO B CD  1 
ATOM   1524 N N   . LEU A 1 181 ? -31.040 -1.491  -21.513 1.00 12.75 ? 187 LEU B N   1 
ATOM   1525 C CA  . LEU A 1 181 ? -29.804 -2.266  -21.339 1.00 12.46 ? 187 LEU B CA  1 
ATOM   1526 C C   . LEU A 1 181 ? -28.682 -1.441  -21.971 1.00 13.32 ? 187 LEU B C   1 
ATOM   1527 O O   . LEU A 1 181 ? -28.855 -0.978  -23.135 1.00 15.25 ? 187 LEU B O   1 
ATOM   1528 C CB  . LEU A 1 181 ? -29.960 -3.634  -21.986 1.00 13.14 ? 187 LEU B CB  1 
ATOM   1529 C CG  . LEU A 1 181 ? -31.001 -4.578  -21.351 1.00 14.02 ? 187 LEU B CG  1 
ATOM   1530 C CD1 . LEU A 1 181 ? -31.137 -5.866  -22.148 1.00 14.95 ? 187 LEU B CD1 1 
ATOM   1531 C CD2 . LEU A 1 181 ? -30.636 -4.899  -19.899 1.00 15.51 ? 187 LEU B CD2 1 
ATOM   1532 N N   . LYS A 1 182 ? -27.543 -1.361  -21.311 1.00 13.27 ? 188 LYS B N   1 
ATOM   1533 C CA  . LYS A 1 182 ? -26.370 -0.606  -21.833 1.00 14.22 ? 188 LYS B CA  1 
ATOM   1534 C C   . LYS A 1 182 ? -25.148 -1.505  -21.801 1.00 14.68 ? 188 LYS B C   1 
ATOM   1535 O O   . LYS A 1 182 ? -24.817 -2.014  -20.719 1.00 14.67 ? 188 LYS B O   1 
ATOM   1536 C CB  . LYS A 1 182 ? -26.111 0.672   -21.030 1.00 16.41 ? 188 LYS B CB  1 
ATOM   1537 C CG  . LYS A 1 182 ? -27.286 1.605   -20.851 1.00 20.54 ? 188 LYS B CG  1 
ATOM   1538 C CD  . LYS A 1 182 ? -26.855 2.925   -20.237 1.00 25.36 ? 188 LYS B CD  1 
ATOM   1539 C CE  . LYS A 1 182 ? -27.999 3.802   -19.792 1.00 29.64 ? 188 LYS B CE  1 
ATOM   1540 N NZ  . LYS A 1 182 ? -27.465 4.988   -19.074 1.00 35.11 ? 188 LYS B NZ  1 
ATOM   1541 N N   . LEU A 1 183 ? -24.415 -1.558  -22.878 1.00 14.38 ? 189 LEU B N   1 
ATOM   1542 C CA  . LEU A 1 183 ? -23.066 -2.201  -22.894 1.00 14.67 ? 189 LEU B CA  1 
ATOM   1543 C C   . LEU A 1 183 ? -22.066 -1.264  -22.238 1.00 16.43 ? 189 LEU B C   1 
ATOM   1544 O O   . LEU A 1 183 ? -21.927 -0.106  -22.716 1.00 19.54 ? 189 LEU B O   1 
ATOM   1545 C CB  . LEU A 1 183 ? -22.725 -2.581  -24.334 1.00 15.36 ? 189 LEU B CB  1 
ATOM   1546 C CG  . LEU A 1 183 ? -23.462 -3.849  -24.784 1.00 16.56 ? 189 LEU B CG  1 
ATOM   1547 C CD1 . LEU A 1 183 ? -23.653 -3.927  -26.291 1.00 20.74 ? 189 LEU B CD1 1 
ATOM   1548 C CD2 . LEU A 1 183 ? -22.814 -5.118  -24.215 1.00 15.21 ? 189 LEU B CD2 1 
ATOM   1549 N N   . CYS A 1 184 ? -21.447 -1.705  -21.146 1.00 17.50 ? 190 CYS B N   1 
ATOM   1550 C CA  . CYS A 1 184 ? -20.534 -0.843  -20.326 1.00 19.52 ? 190 CYS B CA  1 
ATOM   1551 C C   . CYS A 1 184 ? -19.156 -0.783  -20.957 1.00 23.14 ? 190 CYS B C   1 
ATOM   1552 O O   . CYS A 1 184 ? -18.684 -1.752  -21.519 1.00 22.89 ? 190 CYS B O   1 
ATOM   1553 C CB  . CYS A 1 184 ? -20.246 -1.411  -18.949 1.00 22.48 ? 190 CYS B CB  1 
ATOM   1554 S SG  . CYS A 1 184 ? -21.669 -2.027  -18.054 1.00 23.04 ? 190 CYS B SG  1 
ATOM   1555 N N   . PRO A 1 185 ? -18.469 0.366   -20.833 1.00 27.37 ? 191 PRO B N   1 
ATOM   1556 C CA  . PRO A 1 185 ? -17.164 0.542   -21.438 1.00 33.19 ? 191 PRO B CA  1 
ATOM   1557 C C   . PRO A 1 185 ? -16.172 -0.383  -20.735 1.00 31.06 ? 191 PRO B C   1 
ATOM   1558 O O   . PRO A 1 185 ? -16.351 -0.683  -19.558 1.00 34.02 ? 191 PRO B O   1 
ATOM   1559 C CB  . PRO A 1 185 ? -16.907 2.053   -21.265 1.00 32.82 ? 191 PRO B CB  1 
ATOM   1560 C CG  . PRO A 1 185 ? -17.715 2.427   -20.054 1.00 31.85 ? 191 PRO B CG  1 
ATOM   1561 C CD  . PRO A 1 185 ? -18.958 1.575   -20.147 1.00 29.50 ? 191 PRO B CD  1 
ATOM   1562 N N   . LEU A 1 186 ? -15.195 -0.814  -21.522 1.00 37.30 ? 192 LEU B N   1 
ATOM   1563 C CA  . LEU A 1 186 ? -13.953 -1.543  -21.160 1.00 40.37 ? 192 LEU B CA  1 
ATOM   1564 C C   . LEU A 1 186 ? -13.099 -0.686  -20.224 1.00 45.74 ? 192 LEU B C   1 
ATOM   1565 O O   . LEU A 1 186 ? -12.310 -1.278  -19.475 1.00 50.85 ? 192 LEU B O   1 
ATOM   1566 C CB  . LEU A 1 186 ? -13.201 -1.833  -22.464 1.00 39.74 ? 192 LEU B CB  1 
HETATM 1567 N N1  . VWV B 2 .   ? -46.397 -4.480  -26.129 0.36 24.76 ? 201 VWV B N1  1 
HETATM 1568 C C4  . VWV B 2 .   ? -46.668 -5.285  -27.322 0.36 27.55 ? 201 VWV B C4  1 
HETATM 1569 C C5  . VWV B 2 .   ? -45.105 -3.795  -26.204 0.36 24.17 ? 201 VWV B C5  1 
HETATM 1570 C C6  . VWV B 2 .   ? -45.036 -2.655  -25.204 0.36 22.72 ? 201 VWV B C6  1 
HETATM 1571 C C7  . VWV B 2 .   ? -46.610 -4.316  -23.686 0.36 23.31 ? 201 VWV B C7  1 
HETATM 1572 C C8  . VWV B 2 .   ? -46.473 -5.248  -24.882 0.36 23.76 ? 201 VWV B C8  1 
HETATM 1573 C C1  . VWV B 2 .   ? -42.639 -6.897  -28.045 0.36 29.67 ? 201 VWV B C1  1 
HETATM 1574 C C2  . VWV B 2 .   ? -43.931 -7.457  -28.506 0.36 30.07 ? 201 VWV B C2  1 
HETATM 1575 O O1  . VWV B 2 .   ? -44.955 -6.427  -28.407 0.36 29.87 ? 201 VWV B O1  1 
HETATM 1576 C C3  . VWV B 2 .   ? -45.901 -6.576  -27.477 0.36 29.26 ? 201 VWV B C3  1 
HETATM 1577 O O2  . VWV B 2 .   ? -46.142 -7.585  -26.880 0.36 32.14 ? 201 VWV B O2  1 
HETATM 1578 S S1  . VWV B 2 .   ? -45.181 -3.275  -23.537 0.36 20.97 ? 201 VWV B S1  1 
HETATM 1579 O O3  . VWV B 2 .   ? -45.471 -2.177  -22.656 0.36 22.76 ? 201 VWV B O3  1 
HETATM 1580 O O4  . VWV B 2 .   ? -44.041 -4.081  -23.226 0.36 20.75 ? 201 VWV B O4  1 
HETATM 1581 C C1  . EDO C 3 .   ? -50.357 -17.024 -33.317 1.00 40.74 ? 202 EDO B C1  1 
HETATM 1582 O O1  . EDO C 3 .   ? -49.133 -16.332 -33.250 1.00 31.88 ? 202 EDO B O1  1 
HETATM 1583 C C2  . EDO C 3 .   ? -50.981 -17.142 -31.995 1.00 37.72 ? 202 EDO B C2  1 
HETATM 1584 O O2  . EDO C 3 .   ? -51.284 -15.872 -31.503 1.00 47.11 ? 202 EDO B O2  1 
HETATM 1585 S S   . SO4 D 4 .   ? -40.461 -24.603 -26.335 1.00 41.82 ? 203 SO4 B S   1 
HETATM 1586 O O1  . SO4 D 4 .   ? -39.706 -23.640 -27.091 1.00 27.00 ? 203 SO4 B O1  1 
HETATM 1587 O O2  . SO4 D 4 .   ? -41.441 -25.201 -27.184 1.00 47.94 ? 203 SO4 B O2  1 
HETATM 1588 O O3  . SO4 D 4 .   ? -39.558 -25.617 -25.831 1.00 48.67 ? 203 SO4 B O3  1 
HETATM 1589 O O4  . SO4 D 4 .   ? -41.138 -23.993 -25.213 1.00 45.14 ? 203 SO4 B O4  1 
HETATM 1590 O O   . HOH E 5 .   ? -42.766 1.425   -22.870 1.00 35.70 ? 301 HOH B O   1 
HETATM 1591 O O   . HOH E 5 .   ? -32.950 1.014   -33.662 1.00 20.02 ? 302 HOH B O   1 
HETATM 1592 O O   . HOH E 5 .   ? -38.163 3.737   -41.935 1.00 36.76 ? 303 HOH B O   1 
HETATM 1593 O O   . HOH E 5 .   ? -38.697 -15.339 -11.822 1.00 32.24 ? 304 HOH B O   1 
HETATM 1594 O O   . HOH E 5 .   ? -38.293 0.550   -12.049 1.00 34.57 ? 305 HOH B O   1 
HETATM 1595 O O   . HOH E 5 .   ? -37.935 2.835   -22.913 1.00 22.04 ? 306 HOH B O   1 
HETATM 1596 O O   . HOH E 5 .   ? -47.167 -17.030 -31.654 1.00 21.50 ? 307 HOH B O   1 
HETATM 1597 O O   . HOH E 5 .   ? -36.931 -16.435 -39.425 1.00 29.21 ? 308 HOH B O   1 
HETATM 1598 O O   . HOH E 5 .   ? -47.053 1.443   -25.788 1.00 41.41 ? 309 HOH B O   1 
HETATM 1599 O O   . HOH E 5 .   ? -35.791 -19.302 -30.514 1.00 35.20 ? 310 HOH B O   1 
HETATM 1600 O O   . HOH E 5 .   ? -30.861 -6.695  -11.380 1.00 15.79 ? 311 HOH B O   1 
HETATM 1601 O O   . HOH E 5 .   ? -38.729 -2.543  -21.448 1.00 16.36 ? 312 HOH B O   1 
HETATM 1602 O O   . HOH E 5 .   ? -32.846 -18.189 -37.279 1.00 35.13 ? 313 HOH B O   1 
HETATM 1603 O O   . HOH E 5 .   ? -38.573 -7.666  -10.820 1.00 16.56 ? 314 HOH B O   1 
HETATM 1604 O O   . HOH E 5 .   ? -37.979 -14.484 -21.422 1.00 33.78 ? 315 HOH B O   1 
HETATM 1605 O O   . HOH E 5 .   ? -45.778 -14.745 -27.572 1.00 38.29 ? 316 HOH B O   1 
HETATM 1606 O O   . HOH E 5 .   ? -30.715 1.106   -17.153 1.00 27.47 ? 317 HOH B O   1 
HETATM 1607 O O   . HOH E 5 .   ? -40.348 -14.424 -31.405 1.00 16.50 ? 318 HOH B O   1 
HETATM 1608 O O   . HOH E 5 .   ? -36.525 -0.991  -22.210 1.00 14.52 ? 319 HOH B O   1 
HETATM 1609 O O   . HOH E 5 .   ? -37.046 0.839   -15.617 1.00 17.99 ? 320 HOH B O   1 
HETATM 1610 O O   . HOH E 5 .   ? -45.740 -19.727 -31.681 1.00 25.71 ? 321 HOH B O   1 
HETATM 1611 O O   . HOH E 5 .   ? -32.336 -5.017  -12.991 1.00 14.22 ? 322 HOH B O   1 
HETATM 1612 O O   . HOH E 5 .   ? -41.315 -8.508  -13.440 1.00 22.03 ? 323 HOH B O   1 
HETATM 1613 O O   . HOH E 5 .   ? -31.028 4.022   -24.442 1.00 23.83 ? 324 HOH B O   1 
HETATM 1614 O O   . HOH E 5 .   ? -33.642 -1.850  -38.332 1.00 24.98 ? 325 HOH B O   1 
HETATM 1615 O O   . HOH E 5 .   ? -41.255 5.441   -28.621 1.00 30.31 ? 326 HOH B O   1 
HETATM 1616 O O   . HOH E 5 .   ? -39.913 2.663   -16.222 1.00 17.62 ? 327 HOH B O   1 
HETATM 1617 O O   . HOH E 5 .   ? -39.954 -11.751 -22.757 1.00 33.16 ? 328 HOH B O   1 
HETATM 1618 O O   . HOH E 5 .   ? -40.449 -7.543  -34.684 1.00 23.06 ? 329 HOH B O   1 
HETATM 1619 O O   . HOH E 5 .   ? -43.203 3.687   -18.860 1.00 22.43 ? 330 HOH B O   1 
HETATM 1620 O O   . HOH E 5 .   ? -38.789 -16.557 -41.005 1.00 39.14 ? 331 HOH B O   1 
# 
