data_7HMB
# 
_entry.id   7HMB 
# 
_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   7HMB         pdb_00007hmb 10.2210/pdb7hmb/pdb 
WWPDB D_1001407653 ?            ?                   
# 
_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                        7HMB 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-04 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.SG_entry                        ? 
_pdbx_database_status.pdb_format_compatible           Y 
_pdbx_database_status.methods_development_category    ? 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.email              knapp@pharmchem.uni-frankfurt.de 
_pdbx_contact_author.name_first         Stefan 
_pdbx_contact_author.name_last          Knapp 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-5995-6494 
_pdbx_contact_author.name_mi            ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Kim, Y.'                              1 
'Marples, P.'                          2 
'Fearon, D.'                           3 
'von Delft, F.'                        4 
'Knapp, S.'                            5 
'Kraemer, A.'                          6 
'Structural Genomics Consortium (SGC)' 7 
# 
_citation.id                        primary 
_citation.title                     'PanDDA analysis group deposition' 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_volume            ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.year                      ? 
_citation.journal_id_ASTM           ? 
_citation.country                   ? 
_citation.journal_id_ISSN           ? 
_citation.journal_id_CSD            0353 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_DOI      ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.identifier_ORCID 
_citation_author.ordinal 
primary 'Kim, Y.'                              ? 1 
primary 'Marples, P.'                          ? 2 
primary 'Fearon, D.'                           ? 3 
primary 'von Delft, F.'                        ? 4 
primary 'Knapp, S.'                            ? 5 
primary 'Kraemer, A.'                          ? 6 
primary 'Structural Genomics Consortium (SGC)' ? 7 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'E3 ubiquitin-protein ligase TRIM21'              21596.361 1  2.3.2.27 ? ? ? 
2 non-polymer syn '[1-(4-chlorophenyl)-1,2,3-triazol-4-yl]methanol' 209.632   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    19 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;52 kDa Ro protein,52 kDa ribonucleoprotein autoantigen Ro/SS-A,Ro(SS-A),Sjoegren syndrome type A antigen,SS-A,Tripartite motif-containing protein 21
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_strand_id                 B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 '[1-(4-chlorophenyl)-1,2,3-triazol-4-yl]methanol' B1J 
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 
B1J non-polymer         . '[1-(4-chlorophenyl)-1,2,3-triazol-4-yl]methanol' ?                 'C9 H8 Cl N3 O'  209.632 
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 
# 
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        B1J 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   B1J 
_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 B1J 1  201 201 B1J 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 29  HOH HOH B . 
E 5 HOH 2  302 63  HOH HOH B . 
E 5 HOH 3  303 4   HOH HOH B . 
E 5 HOH 4  304 68  HOH HOH B . 
E 5 HOH 5  305 20  HOH HOH B . 
E 5 HOH 6  306 129 HOH HOH B . 
E 5 HOH 7  307 22  HOH HOH B . 
E 5 HOH 8  308 15  HOH HOH B . 
E 5 HOH 9  309 6   HOH HOH B . 
E 5 HOH 10 310 1   HOH HOH B . 
E 5 HOH 11 311 304 HOH HOH B . 
E 5 HOH 12 312 3   HOH HOH B . 
E 5 HOH 13 313 24  HOH HOH B . 
E 5 HOH 14 314 23  HOH HOH B . 
E 5 HOH 15 315 8   HOH HOH B . 
E 5 HOH 16 316 30  HOH HOH B . 
E 5 HOH 17 317 120 HOH HOH B . 
E 5 HOH 18 318 22  HOH HOH B . 
E 5 HOH 19 319 69  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           7HMB 
_cell.length_a           95.409 
_cell.length_b           95.409 
_cell.length_c           45.847 
_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                         7HMB 
_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          7HMB 
_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   49.08 
_exptl_crystal.size_max              ? 
_exptl_crystal.size_mid              ? 
_exptl_crystal.size_min              ? 
_exptl_crystal.size_rad              ? 
_exptl_crystal.description           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.pH              8 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.pdbx_details    '4 % PEG 400, 2 M AmmSO4, 0.1 M HEPES pH 8' 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           100 
_diffrn.crystal_id             1 
_diffrn.ambient_temp_details   ? 
# 
_diffrn_detector.detector               PIXEL 
_diffrn_detector.type                   'DECTRIS EIGER2 XE 9M' 
_diffrn_detector.pdbx_collection_date   2024-05-23 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.92124 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'DIAMOND BEAMLINE I04-1' 
_diffrn_source.pdbx_wavelength_list        0.92124 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HMB 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             67.450 
_reflns.d_resolution_high            1.360 
_reflns.number_obs                   44412 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         100.000 
_reflns.pdbx_Rmerge_I_obs            0.104 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        11.800 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              12.000 
_reflns.pdbx_Rrim_I_all              0.109 
_reflns.pdbx_Rpim_I_all              0.030 
_reflns.pdbx_CC_half                 0.999 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     534013 
_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 1.360 1.380  ? 13723 2164 ? 2.478 ? ? ? 6.300  ? 0.400  ? ? ? ? ? ? 99.800 2.708 1.076 0.322 
1 2 7.450 67.450 ? 3653  303  ? 0.048 ? ? ? 12.100 ? 62.800 ? ? ? ? ? ? 99.900 0.050 0.015 1.000 
# 
_refine.entry_id                                 7HMB 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.3600 
_refine.ls_d_res_low                             67.4600 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    99.4600 
_refine.ls_number_reflns_obs                     42041 
_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                          0.1830 
_refine.ls_R_factor_R_work                       0.1818 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.2068 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.8000 
_refine.ls_number_reflns_R_free                  2139 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               18.7550 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            -0.0800 
_refine.aniso_B[2][2]                            -0.0800 
_refine.aniso_B[3][3]                            0.1600 
_refine.aniso_B[1][2]                            0.0000 
_refine.aniso_B[1][3]                            -0.0000 
_refine.aniso_B[2][3]                            -0.0000 
_refine.correlation_coeff_Fo_to_Fc               0.9690 
_refine.correlation_coeff_Fo_to_Fc_free          0.9570 
_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                       0.0620 
_refine.pdbx_overall_ESU_R_Free                  0.0640 
_refine.overall_SU_ML                            0.0570 
_refine.overall_SU_B                             1.5570 
_refine.solvent_model_details                    MASK 
_refine.pdbx_solvent_vdw_probe_radii             1.2000 
_refine.pdbx_solvent_ion_probe_radii             0.8000 
_refine.pdbx_solvent_shrinkage_radii             0.8000 
_refine.ls_number_parameters                     ? 
_refine.ls_number_restraints                     ? 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_method_to_determine_struct          'FOURIER SYNTHESIS' 
_refine.pdbx_stereochemistry_target_values       'MAXIMUM LIKELIHOOD' 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.B_iso_max                                83.380 
_refine.B_iso_min                                9.920 
_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                       1.3600 
_refine_hist.d_res_low                        67.4600 
_refine_hist.pdbx_number_atoms_ligand         23 
_refine_hist.number_atoms_solvent             19 
_refine_hist.number_atoms_total               1535 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           36.95 
_refine_hist.pdbx_B_iso_mean_solvent          23.79 
_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       2174 0.011  0.014  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1626 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2565 1.690  1.635  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3753 1.428  1.579  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 241  7.032  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 110  27.353 21.182 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 288  12.501 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   22.413 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         220  0.084  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2293 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     517  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            1092 1.423  1.821  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         961  1.496  1.648  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1153 2.389  2.479  ? ? 
# 
_refine_ls_shell.d_res_high                       1.3600 
_refine_ls_shell.d_res_low                        1.3950 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               92.8900 
_refine_ls_shell.number_reflns_R_work             2899 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3530 
_refine_ls_shell.R_factor_R_free                  0.3340 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             131 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                3030 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HMB 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1374778753' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HMB 
_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              7HMB 
_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 7HMB MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HMB HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HMB HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HMB HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HMB HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HMB HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HMB HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HMB MET B 8 ? UNP Q62191 ? ? 'expression tag'        14 8 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 4  ? MET A 8  ? HIS B 10  MET B 14  5 ? 5 
HELX_P HELX_P2 AA2 ASP A 14 ? ALA A 18 ? ASP B 20  ALA B 24  5 ? 5 
HELX_P HELX_P3 AA3 SER A 94 ? ASN A 97 ? SER B 100 ASN B 103 5 ? 4 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           114 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            120 
_struct_mon_prot_cis.auth_asym_id           B 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    115 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     121 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    B 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -0.51 
# 
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                   7HMB 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             CG 
_pdbx_validate_rmsd_angle.auth_asym_id_1             B 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_1              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CD 
_pdbx_validate_rmsd_angle.auth_asym_id_2             B 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_2              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             NE 
_pdbx_validate_rmsd_angle.auth_asym_id_3             B 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_3              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                125.36 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            13.56 
_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 176.79  157.26 
2 1 ASP B 152 ? ? -103.79 53.00  
# 
_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  
B1J N1   N  Y N 74  
B1J N3   N  Y N 75  
B1J C4   C  Y N 76  
B1J C5   C  Y N 77  
B1J C6   C  Y N 78  
B1J C7   C  Y N 79  
B1J C8   C  Y N 80  
B1J C1   C  Y N 81  
B1J C2   C  Y N 82  
B1J C3   C  Y N 83  
B1J N2   N  Y N 84  
B1J C9   C  N N 85  
B1J O1   O  N N 86  
B1J CL1  CL N N 87  
B1J H1   H  N N 88  
B1J H2   H  N N 89  
B1J H3   H  N N 90  
B1J H4   H  N N 91  
B1J H5   H  N N 92  
B1J H6   H  N N 93  
B1J H7   H  N N 94  
B1J H8   H  N N 95  
CYS N    N  N N 96  
CYS CA   C  N R 97  
CYS C    C  N N 98  
CYS O    O  N N 99  
CYS CB   C  N N 100 
CYS SG   S  N N 101 
CYS OXT  O  N N 102 
CYS H    H  N N 103 
CYS H2   H  N N 104 
CYS HA   H  N N 105 
CYS HB2  H  N N 106 
CYS HB3  H  N N 107 
CYS HG   H  N N 108 
CYS HXT  H  N N 109 
EDO C1   C  N N 110 
EDO O1   O  N N 111 
EDO C2   C  N N 112 
EDO O2   O  N N 113 
EDO H11  H  N N 114 
EDO H12  H  N N 115 
EDO HO1  H  N N 116 
EDO H21  H  N N 117 
EDO H22  H  N N 118 
EDO HO2  H  N N 119 
GLN N    N  N N 120 
GLN CA   C  N S 121 
GLN C    C  N N 122 
GLN O    O  N N 123 
GLN CB   C  N N 124 
GLN CG   C  N N 125 
GLN CD   C  N N 126 
GLN OE1  O  N N 127 
GLN NE2  N  N N 128 
GLN OXT  O  N N 129 
GLN H    H  N N 130 
GLN H2   H  N N 131 
GLN HA   H  N N 132 
GLN HB2  H  N N 133 
GLN HB3  H  N N 134 
GLN HG2  H  N N 135 
GLN HG3  H  N N 136 
GLN HE21 H  N N 137 
GLN HE22 H  N N 138 
GLN HXT  H  N N 139 
GLU N    N  N N 140 
GLU CA   C  N S 141 
GLU C    C  N N 142 
GLU O    O  N N 143 
GLU CB   C  N N 144 
GLU CG   C  N N 145 
GLU CD   C  N N 146 
GLU OE1  O  N N 147 
GLU OE2  O  N N 148 
GLU OXT  O  N N 149 
GLU H    H  N N 150 
GLU H2   H  N N 151 
GLU HA   H  N N 152 
GLU HB2  H  N N 153 
GLU HB3  H  N N 154 
GLU HG2  H  N N 155 
GLU HG3  H  N N 156 
GLU HE2  H  N N 157 
GLU HXT  H  N N 158 
GLY N    N  N N 159 
GLY CA   C  N N 160 
GLY C    C  N N 161 
GLY O    O  N N 162 
GLY OXT  O  N N 163 
GLY H    H  N N 164 
GLY H2   H  N N 165 
GLY HA2  H  N N 166 
GLY HA3  H  N N 167 
GLY HXT  H  N N 168 
HIS N    N  N N 169 
HIS CA   C  N S 170 
HIS C    C  N N 171 
HIS O    O  N N 172 
HIS CB   C  N N 173 
HIS CG   C  Y N 174 
HIS ND1  N  Y N 175 
HIS CD2  C  Y N 176 
HIS CE1  C  Y N 177 
HIS NE2  N  Y N 178 
HIS OXT  O  N N 179 
HIS H    H  N N 180 
HIS H2   H  N N 181 
HIS HA   H  N N 182 
HIS HB2  H  N N 183 
HIS HB3  H  N N 184 
HIS HD1  H  N N 185 
HIS HD2  H  N N 186 
HIS HE1  H  N N 187 
HIS HE2  H  N N 188 
HIS HXT  H  N N 189 
HOH O    O  N N 190 
HOH H1   H  N N 191 
HOH H2   H  N N 192 
ILE N    N  N N 193 
ILE CA   C  N S 194 
ILE C    C  N N 195 
ILE O    O  N N 196 
ILE CB   C  N S 197 
ILE CG1  C  N N 198 
ILE CG2  C  N N 199 
ILE CD1  C  N N 200 
ILE OXT  O  N N 201 
ILE H    H  N N 202 
ILE H2   H  N N 203 
ILE HA   H  N N 204 
ILE HB   H  N N 205 
ILE HG12 H  N N 206 
ILE HG13 H  N N 207 
ILE HG21 H  N N 208 
ILE HG22 H  N N 209 
ILE HG23 H  N N 210 
ILE HD11 H  N N 211 
ILE HD12 H  N N 212 
ILE HD13 H  N N 213 
ILE HXT  H  N N 214 
LEU N    N  N N 215 
LEU CA   C  N S 216 
LEU C    C  N N 217 
LEU O    O  N N 218 
LEU CB   C  N N 219 
LEU CG   C  N N 220 
LEU CD1  C  N N 221 
LEU CD2  C  N N 222 
LEU OXT  O  N N 223 
LEU H    H  N N 224 
LEU H2   H  N N 225 
LEU HA   H  N N 226 
LEU HB2  H  N N 227 
LEU HB3  H  N N 228 
LEU HG   H  N N 229 
LEU HD11 H  N N 230 
LEU HD12 H  N N 231 
LEU HD13 H  N N 232 
LEU HD21 H  N N 233 
LEU HD22 H  N N 234 
LEU HD23 H  N N 235 
LEU HXT  H  N N 236 
LYS N    N  N N 237 
LYS CA   C  N S 238 
LYS C    C  N N 239 
LYS O    O  N N 240 
LYS CB   C  N N 241 
LYS CG   C  N N 242 
LYS CD   C  N N 243 
LYS CE   C  N N 244 
LYS NZ   N  N N 245 
LYS OXT  O  N N 246 
LYS H    H  N N 247 
LYS H2   H  N N 248 
LYS HA   H  N N 249 
LYS HB2  H  N N 250 
LYS HB3  H  N N 251 
LYS HG2  H  N N 252 
LYS HG3  H  N N 253 
LYS HD2  H  N N 254 
LYS HD3  H  N N 255 
LYS HE2  H  N N 256 
LYS HE3  H  N N 257 
LYS HZ1  H  N N 258 
LYS HZ2  H  N N 259 
LYS HZ3  H  N N 260 
LYS HXT  H  N N 261 
MET N    N  N N 262 
MET CA   C  N S 263 
MET C    C  N N 264 
MET O    O  N N 265 
MET CB   C  N N 266 
MET CG   C  N N 267 
MET SD   S  N N 268 
MET CE   C  N N 269 
MET OXT  O  N N 270 
MET H    H  N N 271 
MET H2   H  N N 272 
MET HA   H  N N 273 
MET HB2  H  N N 274 
MET HB3  H  N N 275 
MET HG2  H  N N 276 
MET HG3  H  N N 277 
MET HE1  H  N N 278 
MET HE2  H  N N 279 
MET HE3  H  N N 280 
MET HXT  H  N N 281 
PHE N    N  N N 282 
PHE CA   C  N S 283 
PHE C    C  N N 284 
PHE O    O  N N 285 
PHE CB   C  N N 286 
PHE CG   C  Y N 287 
PHE CD1  C  Y N 288 
PHE CD2  C  Y N 289 
PHE CE1  C  Y N 290 
PHE CE2  C  Y N 291 
PHE CZ   C  Y N 292 
PHE OXT  O  N N 293 
PHE H    H  N N 294 
PHE H2   H  N N 295 
PHE HA   H  N N 296 
PHE HB2  H  N N 297 
PHE HB3  H  N N 298 
PHE HD1  H  N N 299 
PHE HD2  H  N N 300 
PHE HE1  H  N N 301 
PHE HE2  H  N N 302 
PHE HZ   H  N N 303 
PHE HXT  H  N N 304 
PRO N    N  N N 305 
PRO CA   C  N S 306 
PRO C    C  N N 307 
PRO O    O  N N 308 
PRO CB   C  N N 309 
PRO CG   C  N N 310 
PRO CD   C  N N 311 
PRO OXT  O  N N 312 
PRO H    H  N N 313 
PRO HA   H  N N 314 
PRO HB2  H  N N 315 
PRO HB3  H  N N 316 
PRO HG2  H  N N 317 
PRO HG3  H  N N 318 
PRO HD2  H  N N 319 
PRO HD3  H  N N 320 
PRO HXT  H  N N 321 
SER N    N  N N 322 
SER CA   C  N S 323 
SER C    C  N N 324 
SER O    O  N N 325 
SER CB   C  N N 326 
SER OG   O  N N 327 
SER OXT  O  N N 328 
SER H    H  N N 329 
SER H2   H  N N 330 
SER HA   H  N N 331 
SER HB2  H  N N 332 
SER HB3  H  N N 333 
SER HG   H  N N 334 
SER HXT  H  N N 335 
SO4 S    S  N N 336 
SO4 O1   O  N N 337 
SO4 O2   O  N N 338 
SO4 O3   O  N N 339 
SO4 O4   O  N N 340 
THR N    N  N N 341 
THR CA   C  N S 342 
THR C    C  N N 343 
THR O    O  N N 344 
THR CB   C  N R 345 
THR OG1  O  N N 346 
THR CG2  C  N N 347 
THR OXT  O  N N 348 
THR H    H  N N 349 
THR H2   H  N N 350 
THR HA   H  N N 351 
THR HB   H  N N 352 
THR HG1  H  N N 353 
THR HG21 H  N N 354 
THR HG22 H  N N 355 
THR HG23 H  N N 356 
THR HXT  H  N N 357 
TRP N    N  N N 358 
TRP CA   C  N S 359 
TRP C    C  N N 360 
TRP O    O  N N 361 
TRP CB   C  N N 362 
TRP CG   C  Y N 363 
TRP CD1  C  Y N 364 
TRP CD2  C  Y N 365 
TRP NE1  N  Y N 366 
TRP CE2  C  Y N 367 
TRP CE3  C  Y N 368 
TRP CZ2  C  Y N 369 
TRP CZ3  C  Y N 370 
TRP CH2  C  Y N 371 
TRP OXT  O  N N 372 
TRP H    H  N N 373 
TRP H2   H  N N 374 
TRP HA   H  N N 375 
TRP HB2  H  N N 376 
TRP HB3  H  N N 377 
TRP HD1  H  N N 378 
TRP HE1  H  N N 379 
TRP HE3  H  N N 380 
TRP HZ2  H  N N 381 
TRP HZ3  H  N N 382 
TRP HH2  H  N N 383 
TRP HXT  H  N N 384 
TYR N    N  N N 385 
TYR CA   C  N S 386 
TYR C    C  N N 387 
TYR O    O  N N 388 
TYR CB   C  N N 389 
TYR CG   C  Y N 390 
TYR CD1  C  Y N 391 
TYR CD2  C  Y N 392 
TYR CE1  C  Y N 393 
TYR CE2  C  Y N 394 
TYR CZ   C  Y N 395 
TYR OH   O  N N 396 
TYR OXT  O  N N 397 
TYR H    H  N N 398 
TYR H2   H  N N 399 
TYR HA   H  N N 400 
TYR HB2  H  N N 401 
TYR HB3  H  N N 402 
TYR HD1  H  N N 403 
TYR HD2  H  N N 404 
TYR HE1  H  N N 405 
TYR HE2  H  N N 406 
TYR HH   H  N N 407 
TYR HXT  H  N N 408 
VAL N    N  N N 409 
VAL CA   C  N S 410 
VAL C    C  N N 411 
VAL O    O  N N 412 
VAL CB   C  N N 413 
VAL CG1  C  N N 414 
VAL CG2  C  N N 415 
VAL OXT  O  N N 416 
VAL H    H  N N 417 
VAL H2   H  N N 418 
VAL HA   H  N N 419 
VAL HB   H  N N 420 
VAL HG11 H  N N 421 
VAL HG12 H  N N 422 
VAL HG13 H  N N 423 
VAL HG21 H  N N 424 
VAL HG22 H  N N 425 
VAL HG23 H  N N 426 
VAL HXT  H  N N 427 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
B1J C2  C1   doub Y N 70  
B1J C2  C3   sing Y N 71  
B1J CL1 C3   sing N N 72  
B1J C1  C6   sing Y N 73  
B1J C3  C4   doub Y N 74  
B1J N3  N1   sing Y N 75  
B1J N3  N2   doub Y N 76  
B1J C6  N1   sing N N 77  
B1J C6  C5   doub Y N 78  
B1J C4  C5   sing Y N 79  
B1J N1  C7   sing Y N 80  
B1J N2  C8   sing Y N 81  
B1J C7  C8   doub Y N 82  
B1J C8  C9   sing N N 83  
B1J O1  C9   sing N N 84  
B1J C4  H1   sing N N 85  
B1J C5  H2   sing N N 86  
B1J C7  H3   sing N N 87  
B1J C1  H4   sing N N 88  
B1J C2  H5   sing N N 89  
B1J C9  H6   sing N N 90  
B1J C9  H7   sing N N 91  
B1J O1  H8   sing N N 92  
CYS N   CA   sing N N 93  
CYS N   H    sing N N 94  
CYS N   H2   sing N N 95  
CYS CA  C    sing N N 96  
CYS CA  CB   sing N N 97  
CYS CA  HA   sing N N 98  
CYS C   O    doub N N 99  
CYS C   OXT  sing N N 100 
CYS CB  SG   sing N N 101 
CYS CB  HB2  sing N N 102 
CYS CB  HB3  sing N N 103 
CYS SG  HG   sing N N 104 
CYS OXT HXT  sing N N 105 
EDO C1  O1   sing N N 106 
EDO C1  C2   sing N N 107 
EDO C1  H11  sing N N 108 
EDO C1  H12  sing N N 109 
EDO O1  HO1  sing N N 110 
EDO C2  O2   sing N N 111 
EDO C2  H21  sing N N 112 
EDO C2  H22  sing N N 113 
EDO O2  HO2  sing N N 114 
GLN N   CA   sing N N 115 
GLN N   H    sing N N 116 
GLN N   H2   sing N N 117 
GLN CA  C    sing N N 118 
GLN CA  CB   sing N N 119 
GLN CA  HA   sing N N 120 
GLN C   O    doub N N 121 
GLN C   OXT  sing N N 122 
GLN CB  CG   sing N N 123 
GLN CB  HB2  sing N N 124 
GLN CB  HB3  sing N N 125 
GLN CG  CD   sing N N 126 
GLN CG  HG2  sing N N 127 
GLN CG  HG3  sing N N 128 
GLN CD  OE1  doub N N 129 
GLN CD  NE2  sing N N 130 
GLN NE2 HE21 sing N N 131 
GLN NE2 HE22 sing N N 132 
GLN OXT HXT  sing N N 133 
GLU N   CA   sing N N 134 
GLU N   H    sing N N 135 
GLU N   H2   sing N N 136 
GLU CA  C    sing N N 137 
GLU CA  CB   sing N N 138 
GLU CA  HA   sing N N 139 
GLU C   O    doub N N 140 
GLU C   OXT  sing N N 141 
GLU CB  CG   sing N N 142 
GLU CB  HB2  sing N N 143 
GLU CB  HB3  sing N N 144 
GLU CG  CD   sing N N 145 
GLU CG  HG2  sing N N 146 
GLU CG  HG3  sing N N 147 
GLU CD  OE1  doub N N 148 
GLU CD  OE2  sing N N 149 
GLU OE2 HE2  sing N N 150 
GLU OXT HXT  sing N N 151 
GLY N   CA   sing N N 152 
GLY N   H    sing N N 153 
GLY N   H2   sing N N 154 
GLY CA  C    sing N N 155 
GLY CA  HA2  sing N N 156 
GLY CA  HA3  sing N N 157 
GLY C   O    doub N N 158 
GLY C   OXT  sing N N 159 
GLY OXT HXT  sing N N 160 
HIS N   CA   sing N N 161 
HIS N   H    sing N N 162 
HIS N   H2   sing N N 163 
HIS CA  C    sing N N 164 
HIS CA  CB   sing N N 165 
HIS CA  HA   sing N N 166 
HIS C   O    doub N N 167 
HIS C   OXT  sing N N 168 
HIS CB  CG   sing N N 169 
HIS CB  HB2  sing N N 170 
HIS CB  HB3  sing N N 171 
HIS CG  ND1  sing Y N 172 
HIS CG  CD2  doub Y N 173 
HIS ND1 CE1  doub Y N 174 
HIS ND1 HD1  sing N N 175 
HIS CD2 NE2  sing Y N 176 
HIS CD2 HD2  sing N N 177 
HIS CE1 NE2  sing Y N 178 
HIS CE1 HE1  sing N N 179 
HIS NE2 HE2  sing N N 180 
HIS OXT HXT  sing N N 181 
HOH O   H1   sing N N 182 
HOH O   H2   sing N N 183 
ILE N   CA   sing N N 184 
ILE N   H    sing N N 185 
ILE N   H2   sing N N 186 
ILE CA  C    sing N N 187 
ILE CA  CB   sing N N 188 
ILE CA  HA   sing N N 189 
ILE C   O    doub N N 190 
ILE C   OXT  sing N N 191 
ILE CB  CG1  sing N N 192 
ILE CB  CG2  sing N N 193 
ILE CB  HB   sing N N 194 
ILE CG1 CD1  sing N N 195 
ILE CG1 HG12 sing N N 196 
ILE CG1 HG13 sing N N 197 
ILE CG2 HG21 sing N N 198 
ILE CG2 HG22 sing N N 199 
ILE CG2 HG23 sing N N 200 
ILE CD1 HD11 sing N N 201 
ILE CD1 HD12 sing N N 202 
ILE CD1 HD13 sing N N 203 
ILE OXT HXT  sing N N 204 
LEU N   CA   sing N N 205 
LEU N   H    sing N N 206 
LEU N   H2   sing N N 207 
LEU CA  C    sing N N 208 
LEU CA  CB   sing N N 209 
LEU CA  HA   sing N N 210 
LEU C   O    doub N N 211 
LEU C   OXT  sing N N 212 
LEU CB  CG   sing N N 213 
LEU CB  HB2  sing N N 214 
LEU CB  HB3  sing N N 215 
LEU CG  CD1  sing N N 216 
LEU CG  CD2  sing N N 217 
LEU CG  HG   sing N N 218 
LEU CD1 HD11 sing N N 219 
LEU CD1 HD12 sing N N 220 
LEU CD1 HD13 sing N N 221 
LEU CD2 HD21 sing N N 222 
LEU CD2 HD22 sing N N 223 
LEU CD2 HD23 sing N N 224 
LEU OXT HXT  sing N N 225 
LYS N   CA   sing N N 226 
LYS N   H    sing N N 227 
LYS N   H2   sing N N 228 
LYS CA  C    sing N N 229 
LYS CA  CB   sing N N 230 
LYS CA  HA   sing N N 231 
LYS C   O    doub N N 232 
LYS C   OXT  sing N N 233 
LYS CB  CG   sing N N 234 
LYS CB  HB2  sing N N 235 
LYS CB  HB3  sing N N 236 
LYS CG  CD   sing N N 237 
LYS CG  HG2  sing N N 238 
LYS CG  HG3  sing N N 239 
LYS CD  CE   sing N N 240 
LYS CD  HD2  sing N N 241 
LYS CD  HD3  sing N N 242 
LYS CE  NZ   sing N N 243 
LYS CE  HE2  sing N N 244 
LYS CE  HE3  sing N N 245 
LYS NZ  HZ1  sing N N 246 
LYS NZ  HZ2  sing N N 247 
LYS NZ  HZ3  sing N N 248 
LYS OXT HXT  sing N N 249 
MET N   CA   sing N N 250 
MET N   H    sing N N 251 
MET N   H2   sing N N 252 
MET CA  C    sing N N 253 
MET CA  CB   sing N N 254 
MET CA  HA   sing N N 255 
MET C   O    doub N N 256 
MET C   OXT  sing N N 257 
MET CB  CG   sing N N 258 
MET CB  HB2  sing N N 259 
MET CB  HB3  sing N N 260 
MET CG  SD   sing N N 261 
MET CG  HG2  sing N N 262 
MET CG  HG3  sing N N 263 
MET SD  CE   sing N N 264 
MET CE  HE1  sing N N 265 
MET CE  HE2  sing N N 266 
MET CE  HE3  sing N N 267 
MET OXT HXT  sing N N 268 
PHE N   CA   sing N N 269 
PHE N   H    sing N N 270 
PHE N   H2   sing N N 271 
PHE CA  C    sing N N 272 
PHE CA  CB   sing N N 273 
PHE CA  HA   sing N N 274 
PHE C   O    doub N N 275 
PHE C   OXT  sing N N 276 
PHE CB  CG   sing N N 277 
PHE CB  HB2  sing N N 278 
PHE CB  HB3  sing N N 279 
PHE CG  CD1  doub Y N 280 
PHE CG  CD2  sing Y N 281 
PHE CD1 CE1  sing Y N 282 
PHE CD1 HD1  sing N N 283 
PHE CD2 CE2  doub Y N 284 
PHE CD2 HD2  sing N N 285 
PHE CE1 CZ   doub Y N 286 
PHE CE1 HE1  sing N N 287 
PHE CE2 CZ   sing Y N 288 
PHE CE2 HE2  sing N N 289 
PHE CZ  HZ   sing N N 290 
PHE OXT HXT  sing N N 291 
PRO N   CA   sing N N 292 
PRO N   CD   sing N N 293 
PRO N   H    sing N N 294 
PRO CA  C    sing N N 295 
PRO CA  CB   sing N N 296 
PRO CA  HA   sing N N 297 
PRO C   O    doub N N 298 
PRO C   OXT  sing N N 299 
PRO CB  CG   sing N N 300 
PRO CB  HB2  sing N N 301 
PRO CB  HB3  sing N N 302 
PRO CG  CD   sing N N 303 
PRO CG  HG2  sing N N 304 
PRO CG  HG3  sing N N 305 
PRO CD  HD2  sing N N 306 
PRO CD  HD3  sing N N 307 
PRO OXT HXT  sing N N 308 
SER N   CA   sing N N 309 
SER N   H    sing N N 310 
SER N   H2   sing N N 311 
SER CA  C    sing N N 312 
SER CA  CB   sing N N 313 
SER CA  HA   sing N N 314 
SER C   O    doub N N 315 
SER C   OXT  sing N N 316 
SER CB  OG   sing N N 317 
SER CB  HB2  sing N N 318 
SER CB  HB3  sing N N 319 
SER OG  HG   sing N N 320 
SER OXT HXT  sing N N 321 
SO4 S   O1   doub N N 322 
SO4 S   O2   doub N N 323 
SO4 S   O3   sing N N 324 
SO4 S   O4   sing N N 325 
THR N   CA   sing N N 326 
THR N   H    sing N N 327 
THR N   H2   sing N N 328 
THR CA  C    sing N N 329 
THR CA  CB   sing N N 330 
THR CA  HA   sing N N 331 
THR C   O    doub N N 332 
THR C   OXT  sing N N 333 
THR CB  OG1  sing N N 334 
THR CB  CG2  sing N N 335 
THR CB  HB   sing N N 336 
THR OG1 HG1  sing N N 337 
THR CG2 HG21 sing N N 338 
THR CG2 HG22 sing N N 339 
THR CG2 HG23 sing N N 340 
THR OXT HXT  sing N N 341 
TRP N   CA   sing N N 342 
TRP N   H    sing N N 343 
TRP N   H2   sing N N 344 
TRP CA  C    sing N N 345 
TRP CA  CB   sing N N 346 
TRP CA  HA   sing N N 347 
TRP C   O    doub N N 348 
TRP C   OXT  sing N N 349 
TRP CB  CG   sing N N 350 
TRP CB  HB2  sing N N 351 
TRP CB  HB3  sing N N 352 
TRP CG  CD1  doub Y N 353 
TRP CG  CD2  sing Y N 354 
TRP CD1 NE1  sing Y N 355 
TRP CD1 HD1  sing N N 356 
TRP CD2 CE2  doub Y N 357 
TRP CD2 CE3  sing Y N 358 
TRP NE1 CE2  sing Y N 359 
TRP NE1 HE1  sing N N 360 
TRP CE2 CZ2  sing Y N 361 
TRP CE3 CZ3  doub Y N 362 
TRP CE3 HE3  sing N N 363 
TRP CZ2 CH2  doub Y N 364 
TRP CZ2 HZ2  sing N N 365 
TRP CZ3 CH2  sing Y N 366 
TRP CZ3 HZ3  sing N N 367 
TRP CH2 HH2  sing N N 368 
TRP OXT HXT  sing N N 369 
TYR N   CA   sing N N 370 
TYR N   H    sing N N 371 
TYR N   H2   sing N N 372 
TYR CA  C    sing N N 373 
TYR CA  CB   sing N N 374 
TYR CA  HA   sing N N 375 
TYR C   O    doub N N 376 
TYR C   OXT  sing N N 377 
TYR CB  CG   sing N N 378 
TYR CB  HB2  sing N N 379 
TYR CB  HB3  sing N N 380 
TYR CG  CD1  doub Y N 381 
TYR CG  CD2  sing Y N 382 
TYR CD1 CE1  sing Y N 383 
TYR CD1 HD1  sing N N 384 
TYR CD2 CE2  doub Y N 385 
TYR CD2 HD2  sing N N 386 
TYR CE1 CZ   doub Y N 387 
TYR CE1 HE1  sing N N 388 
TYR CE2 CZ   sing Y N 389 
TYR CE2 HE2  sing N N 390 
TYR CZ  OH   sing N N 391 
TYR OH  HH   sing N N 392 
TYR OXT HXT  sing N N 393 
VAL N   CA   sing N N 394 
VAL N   H    sing N N 395 
VAL N   H2   sing N N 396 
VAL CA  C    sing N N 397 
VAL CA  CB   sing N N 398 
VAL CA  HA   sing N N 399 
VAL C   O    doub N N 400 
VAL C   OXT  sing N N 401 
VAL CB  CG1  sing N N 402 
VAL CB  CG2  sing N N 403 
VAL CB  HB   sing N N 404 
VAL CG1 HG11 sing N N 405 
VAL CG1 HG12 sing N N 406 
VAL CG1 HG13 sing N N 407 
VAL CG2 HG21 sing N N 408 
VAL CG2 HG22 sing N N 409 
VAL CG2 HG23 sing N N 410 
VAL OXT HXT  sing N N 411 
# 
_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                    7HMB 
_atom_sites.fract_transf_matrix[1][1]   0.010481 
_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]   0.010481 
_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]   0.021812 
_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  
CL 
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   ? -13.119 -12.948 -9.889  1.00 67.63 ? 8   HIS B N   1 
ATOM   2    C  CA  . HIS A 1 2   ? -12.677 -13.528 -11.204 1.00 62.43 ? 8   HIS B CA  1 
ATOM   3    C  C   . HIS A 1 2   ? -11.596 -12.636 -11.826 1.00 61.83 ? 8   HIS B C   1 
ATOM   4    O  O   . HIS A 1 2   ? -11.510 -11.440 -11.453 1.00 68.01 ? 8   HIS B O   1 
ATOM   5    C  CB  . HIS A 1 2   ? -13.876 -13.739 -12.153 1.00 53.90 ? 8   HIS B CB  1 
ATOM   6    C  CG  . HIS A 1 2   ? -14.469 -12.491 -12.730 1.00 50.71 ? 8   HIS B CG  1 
ATOM   7    N  ND1 . HIS A 1 2   ? -13.929 -11.856 -13.837 1.00 52.05 ? 8   HIS B ND1 1 
ATOM   8    C  CD2 . HIS A 1 2   ? -15.571 -11.778 -12.396 1.00 48.67 ? 8   HIS B CD2 1 
ATOM   9    C  CE1 . HIS A 1 2   ? -14.653 -10.792 -14.136 1.00 51.35 ? 8   HIS B CE1 1 
ATOM   10   N  NE2 . HIS A 1 2   ? -15.672 -10.720 -13.273 1.00 44.33 ? 8   HIS B NE2 1 
ATOM   11   N  N   . HIS A 1 3   ? -10.832 -13.200 -12.763 1.00 58.03 ? 9   HIS B N   1 
ATOM   12   C  CA  . HIS A 1 3   ? -9.756  -12.519 -13.533 1.00 59.45 ? 9   HIS B CA  1 
ATOM   13   C  C   . HIS A 1 3   ? -10.000 -12.721 -15.040 1.00 51.66 ? 9   HIS B C   1 
ATOM   14   O  O   . HIS A 1 3   ? -9.028  -13.044 -15.757 1.00 53.02 ? 9   HIS B O   1 
ATOM   15   C  CB  . HIS A 1 3   ? -8.388  -13.009 -13.018 1.00 66.99 ? 9   HIS B CB  1 
ATOM   16   C  CG  . HIS A 1 3   ? -8.219  -12.827 -11.540 1.00 77.45 ? 9   HIS B CG  1 
ATOM   17   N  ND1 . HIS A 1 3   ? -8.025  -11.580 -10.957 1.00 78.47 ? 9   HIS B ND1 1 
ATOM   18   C  CD2 . HIS A 1 3   ? -8.240  -13.715 -10.519 1.00 82.39 ? 9   HIS B CD2 1 
ATOM   19   C  CE1 . HIS A 1 3   ? -7.925  -11.713 -9.648  1.00 81.35 ? 9   HIS B CE1 1 
ATOM   20   N  NE2 . HIS A 1 3   ? -8.048  -13.014 -9.354  1.00 83.38 ? 9   HIS B NE2 1 
ATOM   21   N  N   . HIS A 1 4   ? -11.252 -12.521 -15.501 1.00 40.30 ? 10  HIS B N   1 
ATOM   22   C  CA  . HIS A 1 4   ? -11.697 -12.677 -16.920 1.00 34.10 ? 10  HIS B CA  1 
ATOM   23   C  C   . HIS A 1 4   ? -11.705 -11.332 -17.646 1.00 32.77 ? 10  HIS B C   1 
ATOM   24   O  O   . HIS A 1 4   ? -11.830 -11.343 -18.887 1.00 31.07 ? 10  HIS B O   1 
ATOM   25   C  CB  . HIS A 1 4   ? -13.106 -13.290 -17.004 1.00 32.25 ? 10  HIS B CB  1 
ATOM   26   C  CG  . HIS A 1 4   ? -13.192 -14.657 -16.418 1.00 33.10 ? 10  HIS B CG  1 
ATOM   27   N  ND1 . HIS A 1 4   ? -12.252 -15.649 -16.699 1.00 32.25 ? 10  HIS B ND1 1 
ATOM   28   C  CD2 . HIS A 1 4   ? -14.095 -15.211 -15.586 1.00 32.41 ? 10  HIS B CD2 1 
ATOM   29   C  CE1 . HIS A 1 4   ? -12.586 -16.755 -16.057 1.00 39.09 ? 10  HIS B CE1 1 
ATOM   30   N  NE2 . HIS A 1 4   ? -13.712 -16.509 -15.371 1.00 36.82 ? 10  HIS B NE2 1 
ATOM   31   N  N   . HIS A 1 5   ? -11.570 -10.221 -16.910 1.00 34.06 ? 11  HIS B N   1 
ATOM   32   C  CA  . HIS A 1 5   ? -11.656 -8.832  -17.441 1.00 38.58 ? 11  HIS B CA  1 
ATOM   33   C  C   . HIS A 1 5   ? -10.756 -8.652  -18.677 1.00 36.83 ? 11  HIS B C   1 
ATOM   34   O  O   . HIS A 1 5   ? -11.211 -7.970  -19.624 1.00 37.48 ? 11  HIS B O   1 
ATOM   35   C  CB  . HIS A 1 5   ? -11.347 -7.784  -16.350 1.00 46.78 ? 11  HIS B CB  1 
ATOM   36   C  CG  . HIS A 1 5   ? -12.182 -7.916  -15.119 1.00 59.24 ? 11  HIS B CG  1 
ATOM   37   N  ND1 . HIS A 1 5   ? -11.717 -8.559  -13.972 1.00 70.75 ? 11  HIS B ND1 1 
ATOM   38   C  CD2 . HIS A 1 5   ? -13.440 -7.502  -14.838 1.00 66.11 ? 11  HIS B CD2 1 
ATOM   39   C  CE1 . HIS A 1 5   ? -12.656 -8.529  -13.041 1.00 72.21 ? 11  HIS B CE1 1 
ATOM   40   N  NE2 . HIS A 1 5   ? -13.727 -7.889  -13.549 1.00 69.19 ? 11  HIS B NE2 1 
ATOM   41   N  N   . HIS A 1 6   ? -9.565  -9.276  -18.715 1.00 34.78 ? 12  HIS B N   1 
ATOM   42   C  CA  . HIS A 1 6   ? -8.571  -9.138  -19.820 1.00 34.96 ? 12  HIS B CA  1 
ATOM   43   C  C   . HIS A 1 6   ? -9.033  -9.776  -21.140 1.00 32.39 ? 12  HIS B C   1 
ATOM   44   O  O   . HIS A 1 6   ? -8.358  -9.536  -22.145 1.00 34.76 ? 12  HIS B O   1 
ATOM   45   C  CB  . HIS A 1 6   ? -7.194  -9.693  -19.418 1.00 40.50 ? 12  HIS B CB  1 
ATOM   46   C  CG  . HIS A 1 6   ? -7.148  -11.150 -19.102 1.00 40.12 ? 12  HIS B CG  1 
ATOM   47   N  ND1 . HIS A 1 6   ? -6.520  -12.068 -19.934 1.00 48.05 ? 12  HIS B ND1 1 
ATOM   48   C  CD2 . HIS A 1 6   ? -7.577  -11.849 -18.026 1.00 45.01 ? 12  HIS B CD2 1 
ATOM   49   C  CE1 . HIS A 1 6   ? -6.595  -13.273 -19.404 1.00 41.86 ? 12  HIS B CE1 1 
ATOM   50   N  NE2 . HIS A 1 6   ? -7.239  -13.170 -18.231 1.00 49.70 ? 12  HIS B NE2 1 
ATOM   51   N  N   . HIS A 1 7   ? -10.110 -10.581 -21.162 1.00 26.24 ? 13  HIS B N   1 
ATOM   52   C  CA  . HIS A 1 7   ? -10.713 -11.128 -22.417 1.00 23.67 ? 13  HIS B CA  1 
ATOM   53   C  C   . HIS A 1 7   ? -11.838 -10.212 -22.885 1.00 22.84 ? 13  HIS B C   1 
ATOM   54   O  O   . HIS A 1 7   ? -12.670 -10.667 -23.690 1.00 19.10 ? 13  HIS B O   1 
ATOM   55   C  CB  . HIS A 1 7   ? -11.248 -12.541 -22.211 1.00 22.18 ? 13  HIS B CB  1 
ATOM   56   C  CG  . HIS A 1 7   ? -10.195 -13.500 -21.760 1.00 23.67 ? 13  HIS B CG  1 
ATOM   57   N  ND1 . HIS A 1 7   ? -9.150  -13.844 -22.599 1.00 23.71 ? 13  HIS B ND1 1 
ATOM   58   C  CD2 . HIS A 1 7   ? -10.028 -14.168 -20.595 1.00 25.21 ? 13  HIS B CD2 1 
ATOM   59   C  CE1 . HIS A 1 7   ? -8.366  -14.691 -21.956 1.00 23.42 ? 13  HIS B CE1 1 
ATOM   60   N  NE2 . HIS A 1 7   ? -8.857  -14.900 -20.721 1.00 26.40 ? 13  HIS B NE2 1 
ATOM   61   N  N   . MET A 1 8   ? -11.878 -8.980  -22.377 1.00 21.74 ? 14  MET B N   1 
ATOM   62   C  CA  . MET A 1 8   ? -12.933 -7.988  -22.719 1.00 24.24 ? 14  MET B CA  1 
ATOM   63   C  C   . MET A 1 8   ? -13.031 -7.818  -24.247 1.00 23.22 ? 14  MET B C   1 
ATOM   64   O  O   . MET A 1 8   ? -11.995 -7.693  -24.951 1.00 25.83 ? 14  MET B O   1 
ATOM   65   C  CB  . MET A 1 8   ? -12.625 -6.634  -22.069 1.00 30.44 ? 14  MET B CB  1 
ATOM   66   C  CG  . MET A 1 8   ? -13.655 -5.535  -22.322 1.00 36.12 ? 14  MET B CG  1 
ATOM   67   S  SD  . MET A 1 8   ? -15.259 -5.718  -21.434 1.00 46.20 ? 14  MET B SD  1 
ATOM   68   C  CE  . MET A 1 8   ? -14.836 -5.105  -19.807 1.00 34.44 ? 14  MET B CE  1 
ATOM   69   N  N   . VAL A 1 9   ? -14.247 -7.795  -24.772 1.00 18.55 ? 15  VAL B N   1 
ATOM   70   C  CA  . VAL A 1 9   ? -14.536 -7.595  -26.220 1.00 20.37 ? 15  VAL B CA  1 
ATOM   71   C  C   . VAL A 1 9   ? -15.531 -6.416  -26.311 1.00 21.72 ? 15  VAL B C   1 
ATOM   72   O  O   . VAL A 1 9   ? -16.370 -6.229  -25.387 1.00 21.17 ? 15  VAL B O   1 
ATOM   73   C  CB  . VAL A 1 9   ? -15.036 -8.868  -26.936 1.00 22.73 ? 15  VAL B CB  1 
ATOM   74   C  CG1 . VAL A 1 9   ? -13.944 -9.934  -26.975 1.00 25.42 ? 15  VAL B CG1 1 
ATOM   75   C  CG2 . VAL A 1 9   ? -16.288 -9.439  -26.314 1.00 23.56 ? 15  VAL B CG2 1 
ATOM   76   N  N   . HIS A 1 10  ? -15.480 -5.672  -27.407 1.00 22.48 ? 16  HIS B N   1 
ATOM   77   C  CA  . HIS A 1 10  ? -16.356 -4.504  -27.640 1.00 22.33 ? 16  HIS B CA  1 
ATOM   78   C  C   . HIS A 1 10  ? -17.591 -5.000  -28.398 1.00 20.53 ? 16  HIS B C   1 
ATOM   79   O  O   . HIS A 1 10  ? -17.486 -5.392  -29.575 1.00 23.42 ? 16  HIS B O   1 
ATOM   80   C  CB  . HIS A 1 10  ? -15.594 -3.407  -28.374 1.00 23.90 ? 16  HIS B CB  1 
ATOM   81   C  CG  . HIS A 1 10  ? -16.374 -2.158  -28.650 1.00 29.15 ? 16  HIS B CG  1 
ATOM   82   N  ND1 . HIS A 1 10  ? -16.520 -1.155  -27.710 1.00 32.02 ? 16  HIS B ND1 1 
ATOM   83   C  CD2 . HIS A 1 10  ? -17.042 -1.749  -29.759 1.00 33.49 ? 16  HIS B CD2 1 
ATOM   84   C  CE1 . HIS A 1 10  ? -17.244 -0.172  -28.221 1.00 30.36 ? 16  HIS B CE1 1 
ATOM   85   N  NE2 . HIS A 1 10  ? -17.585 -0.514  -29.487 1.00 34.42 ? 16  HIS B NE2 1 
ATOM   86   N  N   . ILE A 1 11  ? -18.709 -5.117  -27.695 1.00 17.26 ? 17  ILE B N   1 
ATOM   87   C  CA  . ILE A 1 11  ? -19.959 -5.618  -28.302 1.00 18.73 ? 17  ILE B CA  1 
ATOM   88   C  C   . ILE A 1 11  ? -20.793 -4.433  -28.814 1.00 17.87 ? 17  ILE B C   1 
ATOM   89   O  O   . ILE A 1 11  ? -20.780 -3.391  -28.198 1.00 17.16 ? 17  ILE B O   1 
ATOM   90   C  CB  . ILE A 1 11  ? -20.742 -6.458  -27.282 1.00 18.33 ? 17  ILE B CB  1 
ATOM   91   C  CG1 . ILE A 1 11  ? -19.939 -7.672  -26.773 1.00 19.55 ? 17  ILE B CG1 1 
ATOM   92   C  CG2 . ILE A 1 11  ? -22.094 -6.829  -27.873 1.00 16.97 ? 17  ILE B CG2 1 
ATOM   93   C  CD1 . ILE A 1 11  ? -19.337 -8.569  -27.860 1.00 20.22 ? 17  ILE B CD1 1 
ATOM   94   N  N   . THR A 1 12  ? -21.381 -4.608  -29.984 1.00 16.96 ? 18  THR B N   1 
ATOM   95   C  CA  . THR A 1 12  ? -22.364 -3.636  -30.542 1.00 18.17 ? 18  THR B CA  1 
ATOM   96   C  C   . THR A 1 12  ? -23.620 -4.400  -30.953 1.00 17.58 ? 18  THR B C   1 
ATOM   97   O  O   . THR A 1 12  ? -23.551 -5.629  -31.232 1.00 18.52 ? 18  THR B O   1 
ATOM   98   C  CB  . THR A 1 12  ? -21.767 -2.859  -31.720 1.00 20.25 ? 18  THR B CB  1 
ATOM   99   O  OG1 . THR A 1 12  ? -21.411 -3.759  -32.746 1.00 21.28 ? 18  THR B OG1 1 
ATOM   100  C  CG2 . THR A 1 12  ? -20.573 -2.009  -31.334 1.00 23.29 ? 18  THR B CG2 1 
ATOM   101  N  N   . LEU A 1 13  ? -24.768 -3.727  -30.899 1.00 16.37 ? 19  LEU B N   1 
ATOM   102  C  CA  . LEU A 1 13  ? -26.044 -4.366  -31.215 1.00 16.42 ? 19  LEU B CA  1 
ATOM   103  C  C   . LEU A 1 13  ? -26.308 -4.356  -32.715 1.00 16.09 ? 19  LEU B C   1 
ATOM   104  O  O   . LEU A 1 13  ? -26.016 -3.320  -33.357 1.00 17.63 ? 19  LEU B O   1 
ATOM   105  C  CB  . LEU A 1 13  ? -27.132 -3.646  -30.444 1.00 16.18 ? 19  LEU B CB  1 
ATOM   106  C  CG  . LEU A 1 13  ? -26.932 -3.667  -28.935 1.00 16.38 ? 19  LEU B CG  1 
ATOM   107  C  CD1 . LEU A 1 13  ? -27.888 -2.741  -28.190 1.00 19.02 ? 19  LEU B CD1 1 
ATOM   108  C  CD2 . LEU A 1 13  ? -27.043 -5.100  -28.403 1.00 17.39 ? 19  LEU B CD2 1 
ATOM   109  N  N   . ASP A 1 14  ? -26.953 -5.389  -33.197 1.00 15.72 ? 20  ASP B N   1 
ATOM   110  C  CA  . ASP A 1 14  ? -27.326 -5.558  -34.627 1.00 14.81 ? 20  ASP B CA  1 
ATOM   111  C  C   . ASP A 1 14  ? -28.813 -5.156  -34.789 1.00 16.37 ? 20  ASP B C   1 
ATOM   112  O  O   . ASP A 1 14  ? -29.693 -5.951  -34.494 1.00 15.60 ? 20  ASP B O   1 
ATOM   113  C  CB  . ASP A 1 14  ? -27.039 -6.990  -35.119 1.00 15.36 ? 20  ASP B CB  1 
ATOM   114  C  CG  . ASP A 1 14  ? -27.371 -7.256  -36.585 1.00 21.44 ? 20  ASP B CG  1 
ATOM   115  O  OD1 . ASP A 1 14  ? -28.024 -6.388  -37.192 1.00 20.88 ? 20  ASP B OD1 1 
ATOM   116  O  OD2 . ASP A 1 14  ? -27.046 -8.362  -37.087 1.00 20.22 ? 20  ASP B OD2 1 
ATOM   117  N  N   A ARG A 1 15  ? -29.030 -3.918  -35.261 0.25 17.44 ? 21  ARG B N   1 
ATOM   118  N  N   B ARG A 1 15  ? -29.062 -3.927  -35.256 0.25 18.10 ? 21  ARG B N   1 
ATOM   119  C  CA  A ARG A 1 15  ? -30.356 -3.297  -35.546 0.25 19.07 ? 21  ARG B CA  1 
ATOM   120  C  CA  B ARG A 1 15  ? -30.431 -3.364  -35.427 0.25 19.91 ? 21  ARG B CA  1 
ATOM   121  C  C   A ARG A 1 15  ? -31.270 -4.260  -36.305 0.25 18.59 ? 21  ARG B C   1 
ATOM   122  C  C   B ARG A 1 15  ? -31.298 -4.275  -36.303 0.25 19.21 ? 21  ARG B C   1 
ATOM   123  O  O   A ARG A 1 15  ? -32.487 -4.251  -36.048 0.25 17.36 ? 21  ARG B O   1 
ATOM   124  O  O   B ARG A 1 15  ? -32.526 -4.267  -36.110 0.25 17.67 ? 21  ARG B O   1 
ATOM   125  C  CB  A ARG A 1 15  ? -30.180 -2.055  -36.435 0.25 19.93 ? 21  ARG B CB  1 
ATOM   126  C  CB  B ARG A 1 15  ? -30.366 -1.976  -36.079 0.25 22.65 ? 21  ARG B CB  1 
ATOM   127  C  CG  A ARG A 1 15  ? -29.233 -1.008  -35.869 0.25 21.69 ? 21  ARG B CG  1 
ATOM   128  C  CG  B ARG A 1 15  ? -29.876 -0.867  -35.162 0.25 24.99 ? 21  ARG B CG  1 
ATOM   129  C  CD  A ARG A 1 15  ? -29.263 0.312   -36.633 0.25 21.70 ? 21  ARG B CD  1 
ATOM   130  C  CD  B ARG A 1 15  ? -28.431 -0.478  -35.433 0.25 28.25 ? 21  ARG B CD  1 
ATOM   131  N  NE  A ARG A 1 15  ? -28.737 1.381   -35.800 0.25 21.33 ? 21  ARG B NE  1 
ATOM   132  N  NE  B ARG A 1 15  ? -28.243 0.536   -36.477 0.25 30.03 ? 21  ARG B NE  1 
ATOM   133  C  CZ  A ARG A 1 15  ? -29.432 1.954   -34.835 0.25 21.01 ? 21  ARG B CZ  1 
ATOM   134  C  CZ  B ARG A 1 15  ? -27.784 0.303   -37.709 0.25 32.64 ? 21  ARG B CZ  1 
ATOM   135  N  NH1 A ARG A 1 15  ? -30.681 1.583   -34.637 0.25 21.92 ? 21  ARG B NH1 1 
ATOM   136  N  NH1 B ARG A 1 15  ? -27.464 -0.918  -38.097 0.25 35.01 ? 21  ARG B NH1 1 
ATOM   137  N  NH2 A ARG A 1 15  ? -28.895 2.899   -34.092 0.25 22.23 ? 21  ARG B NH2 1 
ATOM   138  N  NH2 B ARG A 1 15  ? -27.650 1.302   -38.561 0.25 34.09 ? 21  ARG B NH2 1 
ATOM   139  N  N   . ASN A 1 16  ? -30.708 -5.013  -37.250 1.00 18.59 ? 22  ASN B N   1 
ATOM   140  C  CA  . ASN A 1 16  ? -31.496 -5.854  -38.176 1.00 19.14 ? 22  ASN B CA  1 
ATOM   141  C  C   . ASN A 1 16  ? -32.148 -7.043  -37.471 1.00 16.65 ? 22  ASN B C   1 
ATOM   142  O  O   . ASN A 1 16  ? -33.173 -7.507  -37.978 1.00 17.22 ? 22  ASN B O   1 
ATOM   143  C  CB  . ASN A 1 16  ? -30.638 -6.267  -39.380 1.00 23.34 ? 22  ASN B CB  1 
ATOM   144  C  CG  . ASN A 1 16  ? -30.449 -5.127  -40.358 1.00 28.90 ? 22  ASN B CG  1 
ATOM   145  O  OD1 . ASN A 1 16  ? -31.215 -4.163  -40.371 1.00 37.38 ? 22  ASN B OD1 1 
ATOM   146  N  ND2 . ASN A 1 16  ? -29.419 -5.230  -41.174 1.00 41.14 ? 22  ASN B ND2 1 
ATOM   147  N  N   . THR A 1 17  ? -31.643 -7.453  -36.287 1.00 15.09 ? 23  THR B N   1 
ATOM   148  C  CA  . THR A 1 17  ? -32.181 -8.569  -35.497 1.00 15.73 ? 23  THR B CA  1 
ATOM   149  C  C   . THR A 1 17  ? -33.237 -8.064  -34.510 1.00 14.53 ? 23  THR B C   1 
ATOM   150  O  O   . THR A 1 17  ? -33.890 -8.898  -33.882 1.00 15.02 ? 23  THR B O   1 
ATOM   151  C  CB  . THR A 1 17  ? -31.087 -9.350  -34.754 1.00 15.57 ? 23  THR B CB  1 
ATOM   152  O  OG1 . THR A 1 17  ? -30.527 -8.529  -33.730 1.00 14.42 ? 23  THR B OG1 1 
ATOM   153  C  CG2 . THR A 1 17  ? -30.048 -9.880  -35.722 1.00 15.71 ? 23  THR B CG2 1 
ATOM   154  N  N   . ALA A 1 18  ? -33.314 -6.754  -34.284 1.00 14.35 ? 24  ALA B N   1 
ATOM   155  C  CA  . ALA A 1 18  ? -34.120 -6.223  -33.155 1.00 13.41 ? 24  ALA B CA  1 
ATOM   156  C  C   . ALA A 1 18  ? -35.620 -6.407  -33.435 1.00 15.21 ? 24  ALA B C   1 
ATOM   157  O  O   . ALA A 1 18  ? -36.089 -6.109  -34.562 1.00 15.69 ? 24  ALA B O   1 
ATOM   158  C  CB  . ALA A 1 18  ? -33.814 -4.763  -33.018 1.00 14.20 ? 24  ALA B CB  1 
ATOM   159  N  N   . ASN A 1 19  ? -36.371 -6.710  -32.404 1.00 14.32 ? 25  ASN B N   1 
ATOM   160  C  CA  . ASN A 1 19  ? -37.833 -6.513  -32.402 1.00 13.06 ? 25  ASN B CA  1 
ATOM   161  C  C   . ASN A 1 19  ? -38.096 -5.075  -32.846 1.00 13.55 ? 25  ASN B C   1 
ATOM   162  O  O   . ASN A 1 19  ? -37.386 -4.129  -32.492 1.00 14.21 ? 25  ASN B O   1 
ATOM   163  C  CB  . ASN A 1 19  ? -38.348 -6.851  -31.014 1.00 13.46 ? 25  ASN B CB  1 
ATOM   164  C  CG  . ASN A 1 19  ? -39.827 -6.607  -30.895 1.00 16.96 ? 25  ASN B CG  1 
ATOM   165  O  OD1 . ASN A 1 19  ? -40.244 -5.486  -30.695 1.00 16.37 ? 25  ASN B OD1 1 
ATOM   166  N  ND2 . ASN A 1 19  ? -40.593 -7.652  -31.021 1.00 21.66 ? 25  ASN B ND2 1 
ATOM   167  N  N   . SER A 1 20  ? -39.187 -4.924  -33.575 1.00 13.83 ? 26  SER B N   1 
ATOM   168  C  CA  . SER A 1 20  ? -39.513 -3.659  -34.260 1.00 15.36 ? 26  SER B CA  1 
ATOM   169  C  C   . SER A 1 20  ? -39.892 -2.562  -33.288 1.00 14.69 ? 26  SER B C   1 
ATOM   170  O  O   . SER A 1 20  ? -39.997 -1.406  -33.756 1.00 15.60 ? 26  SER B O   1 
ATOM   171  C  CB  . SER A 1 20  ? -40.628 -3.875  -35.261 1.00 17.74 ? 26  SER B CB  1 
ATOM   172  O  OG  . SER A 1 20  ? -41.791 -4.302  -34.582 1.00 20.12 ? 26  SER B OG  1 
ATOM   173  N  N   . TRP A 1 21  ? -40.088 -2.825  -31.997 1.00 13.95 ? 27  TRP B N   1 
ATOM   174  C  CA  . TRP A 1 21  ? -40.391 -1.800  -30.978 1.00 14.92 ? 27  TRP B CA  1 
ATOM   175  C  C   . TRP A 1 21  ? -39.143 -1.333  -30.251 1.00 14.63 ? 27  TRP B C   1 
ATOM   176  O  O   . TRP A 1 21  ? -39.254 -0.384  -29.469 1.00 14.79 ? 27  TRP B O   1 
ATOM   177  C  CB  . TRP A 1 21  ? -41.405 -2.309  -29.987 1.00 15.07 ? 27  TRP B CB  1 
ATOM   178  C  CG  . TRP A 1 21  ? -42.792 -2.434  -30.534 1.00 15.78 ? 27  TRP B CG  1 
ATOM   179  C  CD1 . TRP A 1 21  ? -43.179 -2.963  -31.740 1.00 16.27 ? 27  TRP B CD1 1 
ATOM   180  C  CD2 . TRP A 1 21  ? -43.974 -2.007  -29.867 1.00 19.13 ? 27  TRP B CD2 1 
ATOM   181  N  NE1 . TRP A 1 21  ? -44.550 -2.869  -31.866 1.00 20.04 ? 27  TRP B NE1 1 
ATOM   182  C  CE2 . TRP A 1 21  ? -45.047 -2.312  -30.726 1.00 17.32 ? 27  TRP B CE2 1 
ATOM   183  C  CE3 . TRP A 1 21  ? -44.201 -1.368  -28.649 1.00 19.87 ? 27  TRP B CE3 1 
ATOM   184  C  CZ2 . TRP A 1 21  ? -46.371 -2.003  -30.370 1.00 20.70 ? 27  TRP B CZ2 1 
ATOM   185  C  CZ3 . TRP A 1 21  ? -45.510 -1.074  -28.294 1.00 22.44 ? 27  TRP B CZ3 1 
ATOM   186  C  CH2 . TRP A 1 21  ? -46.562 -1.421  -29.136 1.00 22.95 ? 27  TRP B CH2 1 
ATOM   187  N  N   . LEU A 1 22  ? -37.963 -1.891  -30.576 1.00 14.18 ? 28  LEU B N   1 
ATOM   188  C  CA  . LEU A 1 22  ? -36.744 -1.499  -29.839 1.00 14.88 ? 28  LEU B CA  1 
ATOM   189  C  C   . LEU A 1 22  ? -36.140 -0.231  -30.470 1.00 14.62 ? 28  LEU B C   1 
ATOM   190  O  O   . LEU A 1 22  ? -36.146 -0.080  -31.707 1.00 13.89 ? 28  LEU B O   1 
ATOM   191  C  CB  . LEU A 1 22  ? -35.715 -2.628  -29.832 1.00 13.48 ? 28  LEU B CB  1 
ATOM   192  C  CG  . LEU A 1 22  ? -36.138 -3.890  -29.104 1.00 14.43 ? 28  LEU B CG  1 
ATOM   193  C  CD1 . LEU A 1 22  ? -35.031 -4.920  -29.099 1.00 14.60 ? 28  LEU B CD1 1 
ATOM   194  C  CD2 . LEU A 1 22  ? -36.576 -3.592  -27.706 1.00 14.51 ? 28  LEU B CD2 1 
ATOM   195  N  N   . ILE A 1 23  ? -35.496 0.542   -29.625 1.00 14.09 ? 29  ILE B N   1 
ATOM   196  C  CA  . ILE A 1 23  ? -34.729 1.751   -30.013 1.00 14.95 ? 29  ILE B CA  1 
ATOM   197  C  C   . ILE A 1 23  ? -33.283 1.501   -29.590 1.00 14.72 ? 29  ILE B C   1 
ATOM   198  O  O   . ILE A 1 23  ? -33.007 1.444   -28.360 1.00 15.22 ? 29  ILE B O   1 
ATOM   199  C  CB  . ILE A 1 23  ? -35.281 3.006   -29.369 1.00 15.76 ? 29  ILE B CB  1 
ATOM   200  C  CG1 . ILE A 1 23  ? -36.783 3.222   -29.676 1.00 16.68 ? 29  ILE B CG1 1 
ATOM   201  C  CG2 . ILE A 1 23  ? -34.439 4.221   -29.795 1.00 17.23 ? 29  ILE B CG2 1 
ATOM   202  C  CD1 . ILE A 1 23  ? -37.394 4.364   -28.987 1.00 18.34 ? 29  ILE B CD1 1 
ATOM   203  N  N   . ILE A 1 24  ? -32.414 1.416   -30.579 1.00 16.96 ? 30  ILE B N   1 
ATOM   204  C  CA  . ILE A 1 24  ? -30.958 1.205   -30.380 1.00 17.82 ? 30  ILE B CA  1 
ATOM   205  C  C   . ILE A 1 24  ? -30.280 2.549   -30.570 1.00 19.99 ? 30  ILE B C   1 
ATOM   206  O  O   . ILE A 1 24  ? -30.553 3.254   -31.610 1.00 19.81 ? 30  ILE B O   1 
ATOM   207  C  CB  . ILE A 1 24  ? -30.434 0.124   -31.316 1.00 18.13 ? 30  ILE B CB  1 
ATOM   208  C  CG1 . ILE A 1 24  ? -30.958 -1.251  -30.924 1.00 20.63 ? 30  ILE B CG1 1 
ATOM   209  C  CG2 . ILE A 1 24  ? -28.904 0.127   -31.302 1.00 17.96 ? 30  ILE B CG2 1 
ATOM   210  C  CD1 . ILE A 1 24  ? -30.754 -2.237  -31.920 1.00 23.71 ? 30  ILE B CD1 1 
ATOM   211  N  N   . SER A 1 25  ? -29.353 2.880   -29.686 1.00 18.24 ? 31  SER B N   1 
ATOM   212  C  CA  . SER A 1 25  ? -28.686 4.199   -29.694 1.00 17.62 ? 31  SER B CA  1 
ATOM   213  C  C   . SER A 1 25  ? -27.763 4.284   -30.924 1.00 17.01 ? 31  SER B C   1 
ATOM   214  O  O   . SER A 1 25  ? -27.411 3.265   -31.519 1.00 17.88 ? 31  SER B O   1 
ATOM   215  C  CB  . SER A 1 25  ? -27.931 4.378   -28.417 1.00 19.59 ? 31  SER B CB  1 
ATOM   216  O  OG  . SER A 1 25  ? -26.950 3.358   -28.323 1.00 19.77 ? 31  SER B OG  1 
ATOM   217  N  N   . LYS A 1 26  ? -27.391 5.516   -31.313 1.00 20.23 ? 32  LYS B N   1 
ATOM   218  C  CA  . LYS A 1 26  ? -26.518 5.728   -32.496 1.00 20.56 ? 32  LYS B CA  1 
ATOM   219  C  C   . LYS A 1 26  ? -25.208 4.939   -32.373 1.00 19.59 ? 32  LYS B C   1 
ATOM   220  O  O   . LYS A 1 26  ? -24.767 4.416   -33.396 1.00 22.53 ? 32  LYS B O   1 
ATOM   221  C  CB  . LYS A 1 26  ? -26.235 7.231   -32.597 1.00 23.54 ? 32  LYS B CB  1 
ATOM   222  C  CG  . LYS A 1 26  ? -25.294 7.615   -33.716 1.00 28.16 ? 32  LYS B CG  1 
ATOM   223  C  CD  . LYS A 1 26  ? -25.353 9.089   -33.961 1.00 27.86 ? 32  LYS B CD  1 
ATOM   224  C  CE  . LYS A 1 26  ? -25.219 9.884   -32.688 1.00 32.67 ? 32  LYS B CE  1 
ATOM   225  N  NZ  . LYS A 1 26  ? -25.269 11.317  -33.015 1.00 37.52 ? 32  LYS B NZ  1 
ATOM   226  N  N   . ASP A 1 27  ? -24.638 4.848   -31.173 1.00 21.02 ? 33  ASP B N   1 
ATOM   227  C  CA  . ASP A 1 27  ? -23.347 4.120   -30.951 1.00 20.34 ? 33  ASP B CA  1 
ATOM   228  C  C   . ASP A 1 27  ? -23.578 2.595   -30.912 1.00 18.68 ? 33  ASP B C   1 
ATOM   229  O  O   . ASP A 1 27  ? -22.592 1.837   -30.837 1.00 19.43 ? 33  ASP B O   1 
ATOM   230  C  CB  . ASP A 1 27  ? -22.605 4.646   -29.720 1.00 21.88 ? 33  ASP B CB  1 
ATOM   231  C  CG  . ASP A 1 27  ? -23.272 4.394   -28.381 1.00 22.81 ? 33  ASP B CG  1 
ATOM   232  O  OD1 . ASP A 1 27  ? -24.360 3.725   -28.343 1.00 22.82 ? 33  ASP B OD1 1 
ATOM   233  O  OD2 . ASP A 1 27  ? -22.684 4.844   -27.375 1.00 26.71 ? 33  ASP B OD2 1 
ATOM   234  N  N   . ARG A 1 28  ? -24.818 2.145   -30.981 1.00 17.34 ? 34  ARG B N   1 
ATOM   235  C  CA  . ARG A 1 28  ? -25.165 0.702   -31.000 1.00 16.99 ? 34  ARG B CA  1 
ATOM   236  C  C   . ARG A 1 28  ? -24.701 0.051   -29.688 1.00 14.56 ? 34  ARG B C   1 
ATOM   237  O  O   . ARG A 1 28  ? -24.551 -1.194  -29.681 1.00 15.83 ? 34  ARG B O   1 
ATOM   238  C  CB  . ARG A 1 28  ? -24.652 0.003   -32.262 1.00 20.75 ? 34  ARG B CB  1 
ATOM   239  C  CG  . ARG A 1 28  ? -25.292 0.558   -33.533 1.00 24.70 ? 34  ARG B CG  1 
ATOM   240  C  CD  . ARG A 1 28  ? -24.882 -0.061  -34.832 1.00 33.19 ? 34  ARG B CD  1 
ATOM   241  N  NE  . ARG A 1 28  ? -23.447 -0.175  -34.956 1.00 40.80 ? 34  ARG B NE  1 
ATOM   242  C  CZ  . ARG A 1 28  ? -22.741 -1.303  -34.801 1.00 55.49 ? 34  ARG B CZ  1 
ATOM   243  N  NH1 . ARG A 1 28  ? -23.333 -2.465  -34.516 1.00 54.06 ? 34  ARG B NH1 1 
ATOM   244  N  NH2 . ARG A 1 28  ? -21.424 -1.257  -34.954 1.00 60.86 ? 34  ARG B NH2 1 
ATOM   245  N  N   . ARG A 1 29  ? -24.654 0.788   -28.590 1.00 14.10 ? 35  ARG B N   1 
ATOM   246  C  CA  . ARG A 1 29  ? -24.272 0.258   -27.252 1.00 16.62 ? 35  ARG B CA  1 
ATOM   247  C  C   . ARG A 1 29  ? -25.416 0.262   -26.249 1.00 15.89 ? 35  ARG B C   1 
ATOM   248  O  O   . ARG A 1 29  ? -25.228 -0.291  -25.137 1.00 16.96 ? 35  ARG B O   1 
ATOM   249  C  CB  . ARG A 1 29  ? -23.087 1.024   -26.668 1.00 17.14 ? 35  ARG B CB  1 
ATOM   250  C  CG  . ARG A 1 29  ? -21.868 0.922   -27.572 1.00 19.83 ? 35  ARG B CG  1 
ATOM   251  C  CD  . ARG A 1 29  ? -20.989 -0.266  -27.328 1.00 21.91 ? 35  ARG B CD  1 
ATOM   252  N  NE  . ARG A 1 29  ? -20.229 -0.071  -26.093 1.00 23.80 ? 35  ARG B NE  1 
ATOM   253  C  CZ  . ARG A 1 29  ? -19.502 -1.019  -25.506 1.00 22.95 ? 35  ARG B CZ  1 
ATOM   254  N  NH1 . ARG A 1 29  ? -19.455 -2.212  -26.049 1.00 22.38 ? 35  ARG B NH1 1 
ATOM   255  N  NH2 . ARG A 1 29  ? -18.860 -0.774  -24.382 1.00 22.19 ? 35  ARG B NH2 1 
ATOM   256  N  N   . GLN A 1 30  ? -26.583 0.826   -26.555 1.00 14.54 ? 36  GLN B N   1 
ATOM   257  C  CA  . GLN A 1 30  ? -27.751 0.880   -25.645 1.00 14.22 ? 36  GLN B CA  1 
ATOM   258  C  C   . GLN A 1 30  ? -29.017 0.504   -26.399 1.00 14.72 ? 36  GLN B C   1 
ATOM   259  O  O   . GLN A 1 30  ? -29.128 0.737   -27.627 1.00 15.12 ? 36  GLN B O   1 
ATOM   260  C  CB  . GLN A 1 30  ? -27.974 2.282   -25.057 1.00 17.11 ? 36  GLN B CB  1 
ATOM   261  C  CG  . GLN A 1 30  ? -26.723 2.897   -24.490 1.00 21.34 ? 36  GLN B CG  1 
ATOM   262  C  CD  . GLN A 1 30  ? -27.111 4.123   -23.692 1.00 24.75 ? 36  GLN B CD  1 
ATOM   263  O  OE1 . GLN A 1 30  ? -28.269 4.318   -23.300 1.00 26.63 ? 36  GLN B OE1 1 
ATOM   264  N  NE2 . GLN A 1 30  ? -26.133 4.955   -23.455 1.00 28.83 ? 36  GLN B NE2 1 
ATOM   265  N  N   . VAL A 1 31  ? -29.929 -0.136  -25.691 1.00 13.58 ? 37  VAL B N   1 
ATOM   266  C  CA  . VAL A 1 31  ? -31.233 -0.521  -26.294 1.00 13.53 ? 37  VAL B CA  1 
ATOM   267  C  C   . VAL A 1 31  ? -32.314 -0.330  -25.238 1.00 13.83 ? 37  VAL B C   1 
ATOM   268  O  O   . VAL A 1 31  ? -32.127 -0.704  -24.071 1.00 13.45 ? 37  VAL B O   1 
ATOM   269  C  CB  . VAL A 1 31  ? -31.209 -1.936  -26.911 1.00 12.70 ? 37  VAL B CB  1 
ATOM   270  C  CG1 . VAL A 1 31  ? -30.813 -3.036  -25.897 1.00 12.85 ? 37  VAL B CG1 1 
ATOM   271  C  CG2 . VAL A 1 31  ? -32.551 -2.278  -27.552 1.00 14.15 ? 37  VAL B CG2 1 
ATOM   272  N  N   . ARG A 1 32  ? -33.470 0.165   -25.646 1.00 14.41 ? 38  ARG B N   1 
ATOM   273  C  CA  . ARG A 1 32  ? -34.646 0.266   -24.765 1.00 14.53 ? 38  ARG B CA  1 
ATOM   274  C  C   . ARG A 1 32  ? -35.916 -0.021  -25.566 1.00 14.92 ? 38  ARG B C   1 
ATOM   275  O  O   . ARG A 1 32  ? -35.920 0.055   -26.814 1.00 13.57 ? 38  ARG B O   1 
ATOM   276  C  CB  . ARG A 1 32  ? -34.759 1.643   -24.107 1.00 16.19 ? 38  ARG B CB  1 
ATOM   277  C  CG  . ARG A 1 32  ? -35.002 2.779   -25.095 1.00 19.22 ? 38  ARG B CG  1 
ATOM   278  C  CD  . ARG A 1 32  ? -34.944 4.102   -24.328 1.00 22.28 ? 38  ARG B CD  1 
ATOM   279  N  NE  . ARG A 1 32  ? -35.181 5.229   -25.220 1.00 27.69 ? 38  ARG B NE  1 
ATOM   280  C  CZ  . ARG A 1 32  ? -36.360 5.749   -25.519 1.00 25.86 ? 38  ARG B CZ  1 
ATOM   281  N  NH1 . ARG A 1 32  ? -37.478 5.242   -25.042 1.00 27.60 ? 38  ARG B NH1 1 
ATOM   282  N  NH2 . ARG A 1 32  ? -36.406 6.784   -26.350 1.00 30.63 ? 38  ARG B NH2 1 
ATOM   283  N  N   . MET A 1 33  ? -36.974 -0.349  -24.820 0.22 15.30 ? 39  MET B N   1 
ATOM   284  C  CA  . MET A 1 33  ? -38.371 -0.498  -25.307 0.22 16.43 ? 39  MET B CA  1 
ATOM   285  C  C   . MET A 1 33  ? -38.889 0.868   -25.762 0.22 16.45 ? 39  MET B C   1 
ATOM   286  O  O   . MET A 1 33  ? -38.790 1.838   -24.982 0.22 16.34 ? 39  MET B O   1 
ATOM   287  C  CB  . MET A 1 33  ? -39.274 -1.029  -24.189 0.22 16.95 ? 39  MET B CB  1 
ATOM   288  C  CG  . MET A 1 33  ? -40.756 -0.988  -24.530 0.22 17.29 ? 39  MET B CG  1 
ATOM   289  S  SD  . MET A 1 33  ? -41.200 -2.255  -25.744 0.22 18.98 ? 39  MET B SD  1 
ATOM   290  C  CE  . MET A 1 33  ? -41.253 -3.676  -24.654 0.22 17.70 ? 39  MET B CE  1 
ATOM   291  N  N   . GLY A 1 34  ? -39.409 0.941   -26.986 1.00 16.89 ? 40  GLY B N   1 
ATOM   292  C  CA  . GLY A 1 34  ? -40.167 2.127   -27.438 1.00 17.96 ? 40  GLY B CA  1 
ATOM   293  C  C   . GLY A 1 34  ? -41.623 1.991   -27.032 1.00 19.15 ? 40  GLY B C   1 
ATOM   294  O  O   . GLY A 1 34  ? -42.036 0.880   -26.672 1.00 19.45 ? 40  GLY B O   1 
ATOM   295  N  N   . ASP A 1 35  ? -42.370 3.097   -27.087 1.00 22.83 ? 41  ASP B N   1 
ATOM   296  C  CA  . ASP A 1 35  ? -43.808 3.048   -26.674 1.00 27.14 ? 41  ASP B CA  1 
ATOM   297  C  C   . ASP A 1 35  ? -44.668 2.632   -27.892 1.00 27.15 ? 41  ASP B C   1 
ATOM   298  O  O   . ASP A 1 35  ? -45.899 2.451   -27.733 1.00 26.87 ? 41  ASP B O   1 
ATOM   299  C  CB  . ASP A 1 35  ? -44.205 4.330   -25.918 1.00 36.03 ? 41  ASP B CB  1 
ATOM   300  C  CG  . ASP A 1 35  ? -43.805 4.339   -24.432 1.00 48.67 ? 41  ASP B CG  1 
ATOM   301  O  OD1 . ASP A 1 35  ? -43.611 3.235   -23.848 1.00 56.30 ? 41  ASP B OD1 1 
ATOM   302  O  OD2 . ASP A 1 35  ? -43.697 5.445   -23.836 1.00 52.66 ? 41  ASP B OD2 1 
ATOM   303  N  N   . THR A 1 36  ? -44.064 2.326   -29.036 1.00 20.81 ? 42  THR B N   1 
ATOM   304  C  CA  . THR A 1 36  ? -44.781 1.967   -30.296 1.00 21.06 ? 42  THR B CA  1 
ATOM   305  C  C   . THR A 1 36  ? -43.847 1.237   -31.275 1.00 17.53 ? 42  THR B C   1 
ATOM   306  O  O   . THR A 1 36  ? -42.567 1.225   -31.082 1.00 15.90 ? 42  THR B O   1 
ATOM   307  C  CB  . THR A 1 36  ? -45.341 3.276   -30.858 1.00 21.63 ? 42  THR B CB  1 
ATOM   308  O  OG1 . THR A 1 36  ? -46.226 2.966   -31.916 1.00 23.77 ? 42  THR B OG1 1 
ATOM   309  C  CG2 . THR A 1 36  ? -44.243 4.150   -31.422 1.00 23.69 ? 42  THR B CG2 1 
ATOM   310  N  N   . HIS A 1 37  ? -44.344 0.762   -32.422 1.00 18.48 ? 43  HIS B N   1 
ATOM   311  C  CA  . HIS A 1 37  ? -43.523 0.285   -33.573 1.00 18.53 ? 43  HIS B CA  1 
ATOM   312  C  C   . HIS A 1 37  ? -42.578 1.378   -34.027 1.00 18.77 ? 43  HIS B C   1 
ATOM   313  O  O   . HIS A 1 37  ? -43.044 2.548   -34.157 1.00 19.94 ? 43  HIS B O   1 
ATOM   314  C  CB  . HIS A 1 37  ? -44.460 -0.193  -34.700 1.00 18.24 ? 43  HIS B CB  1 
ATOM   315  C  CG  . HIS A 1 37  ? -43.841 -0.842  -35.902 1.00 16.45 ? 43  HIS B CG  1 
ATOM   316  N  ND1 . HIS A 1 37  ? -43.030 -0.199  -36.807 1.00 16.00 ? 43  HIS B ND1 1 
ATOM   317  C  CD2 . HIS A 1 37  ? -43.940 -2.119  -36.334 1.00 16.06 ? 43  HIS B CD2 1 
ATOM   318  C  CE1 . HIS A 1 37  ? -42.700 -1.032  -37.763 1.00 15.79 ? 43  HIS B CE1 1 
ATOM   319  N  NE2 . HIS A 1 37  ? -43.228 -2.259  -37.489 1.00 16.20 ? 43  HIS B NE2 1 
ATOM   320  N  N   . GLN A 1 38  ? -41.279 1.059   -34.238 1.00 17.27 ? 44  GLN B N   1 
ATOM   321  C  CA  . GLN A 1 38  ? -40.246 2.075   -34.533 1.00 16.94 ? 44  GLN B CA  1 
ATOM   322  C  C   . GLN A 1 38  ? -40.040 2.314   -36.044 1.00 19.00 ? 44  GLN B C   1 
ATOM   323  O  O   . GLN A 1 38  ? -39.003 2.902   -36.435 1.00 18.75 ? 44  GLN B O   1 
ATOM   324  C  CB  . GLN A 1 38  ? -38.951 1.684   -33.824 1.00 15.84 ? 44  GLN B CB  1 
ATOM   325  C  CG  . GLN A 1 38  ? -39.077 1.782   -32.337 1.00 16.28 ? 44  GLN B CG  1 
ATOM   326  C  CD  . GLN A 1 38  ? -39.571 3.111   -31.845 1.00 16.92 ? 44  GLN B CD  1 
ATOM   327  O  OE1 . GLN A 1 38  ? -40.551 3.219   -31.088 1.00 19.88 ? 44  GLN B OE1 1 
ATOM   328  N  NE2 . GLN A 1 38  ? -38.953 4.180   -32.312 1.00 16.24 ? 44  GLN B NE2 1 
ATOM   329  N  N   . ASN A 1 39  ? -41.023 1.991   -36.869 1.00 16.90 ? 45  ASN B N   1 
ATOM   330  C  CA  . ASN A 1 39  ? -41.086 2.441   -38.297 1.00 15.51 ? 45  ASN B CA  1 
ATOM   331  C  C   . ASN A 1 39  ? -39.973 1.808   -39.136 1.00 17.77 ? 45  ASN B C   1 
ATOM   332  O  O   . ASN A 1 39  ? -39.524 2.393   -40.132 1.00 19.98 ? 45  ASN B O   1 
ATOM   333  C  CB  . ASN A 1 39  ? -41.178 3.983   -38.385 1.00 16.68 ? 45  ASN B CB  1 
ATOM   334  C  CG  . ASN A 1 39  ? -41.779 4.414   -39.716 1.00 17.59 ? 45  ASN B CG  1 
ATOM   335  O  OD1 . ASN A 1 39  ? -42.636 3.732   -40.268 1.00 16.46 ? 45  ASN B OD1 1 
ATOM   336  N  ND2 . ASN A 1 39  ? -41.359 5.572   -40.252 1.00 16.73 ? 45  ASN B ND2 1 
ATOM   337  N  N   . VAL A 1 40  ? -39.664 0.536   -38.870 1.00 19.25 ? 46  VAL B N   1 
ATOM   338  C  CA  . VAL A 1 40  ? -38.669 -0.266  -39.626 1.00 21.41 ? 46  VAL B CA  1 
ATOM   339  C  C   . VAL A 1 40  ? -39.423 -1.319  -40.447 1.00 19.09 ? 46  VAL B C   1 
ATOM   340  O  O   . VAL A 1 40  ? -40.501 -1.713  -40.047 1.00 19.68 ? 46  VAL B O   1 
ATOM   341  C  CB  . VAL A 1 40  ? -37.652 -0.932  -38.683 1.00 21.24 ? 46  VAL B CB  1 
ATOM   342  C  CG1 . VAL A 1 40  ? -36.765 0.103   -38.007 1.00 24.20 ? 46  VAL B CG1 1 
ATOM   343  C  CG2 . VAL A 1 40  ? -38.333 -1.818  -37.645 1.00 22.37 ? 46  VAL B CG2 1 
ATOM   344  N  N   . SER A 1 41  ? -38.870 -1.762  -41.568 1.00 21.52 ? 47  SER B N   1 
ATOM   345  C  CA  . SER A 1 41  ? -39.430 -2.910  -42.315 1.00 21.59 ? 47  SER B CA  1 
ATOM   346  C  C   . SER A 1 41  ? -39.236 -4.217  -41.546 1.00 21.38 ? 47  SER B C   1 
ATOM   347  O  O   . SER A 1 41  ? -38.299 -4.321  -40.743 1.00 20.08 ? 47  SER B O   1 
ATOM   348  C  CB  . SER A 1 41  ? -38.862 -2.986  -43.705 1.00 24.86 ? 47  SER B CB  1 
ATOM   349  O  OG  . SER A 1 41  ? -37.458 -3.150  -43.674 1.00 27.12 ? 47  SER B OG  1 
ATOM   350  N  N   . ASP A 1 42  ? -40.069 -5.210  -41.819 1.00 21.34 ? 48  ASP B N   1 
ATOM   351  C  CA  . ASP A 1 42  ? -39.927 -6.572  -41.258 1.00 21.20 ? 48  ASP B CA  1 
ATOM   352  C  C   . ASP A 1 42  ? -38.868 -7.307  -42.064 1.00 22.06 ? 48  ASP B C   1 
ATOM   353  O  O   . ASP A 1 42  ? -38.610 -6.934  -43.228 1.00 21.57 ? 48  ASP B O   1 
ATOM   354  C  CB  . ASP A 1 42  ? -41.243 -7.323  -41.249 1.00 24.03 ? 48  ASP B CB  1 
ATOM   355  C  CG  . ASP A 1 42  ? -41.271 -8.456  -40.229 1.00 29.98 ? 48  ASP B CG  1 
ATOM   356  O  OD1 . ASP A 1 42  ? -40.398 -8.491  -39.270 1.00 21.59 ? 48  ASP B OD1 1 
ATOM   357  O  OD2 . ASP A 1 42  ? -42.162 -9.298  -40.373 1.00 42.52 ? 48  ASP B OD2 1 
ATOM   358  N  N   . ASN A 1 43  ? -38.253 -8.312  -41.435 1.00 21.08 ? 49  ASN B N   1 
ATOM   359  C  CA  . ASN A 1 43  ? -37.251 -9.192  -42.072 1.00 21.95 ? 49  ASN B CA  1 
ATOM   360  C  C   . ASN A 1 43  ? -37.230 -10.501 -41.277 1.00 21.27 ? 49  ASN B C   1 
ATOM   361  O  O   . ASN A 1 43  ? -37.813 -10.557 -40.154 1.00 22.27 ? 49  ASN B O   1 
ATOM   362  C  CB  . ASN A 1 43  ? -35.907 -8.507  -42.265 1.00 21.12 ? 49  ASN B CB  1 
ATOM   363  C  CG  . ASN A 1 43  ? -35.177 -8.301  -40.956 1.00 21.30 ? 49  ASN B CG  1 
ATOM   364  O  OD1 . ASN A 1 43  ? -34.998 -9.256  -40.213 1.00 23.52 ? 49  ASN B OD1 1 
ATOM   365  N  ND2 . ASN A 1 43  ? -34.831 -7.085  -40.636 1.00 20.28 ? 49  ASN B ND2 1 
ATOM   366  N  N   . LYS A 1 44  ? -36.594 -11.522 -41.825 1.00 22.14 ? 50  LYS B N   1 
ATOM   367  C  CA  . LYS A 1 44  ? -36.641 -12.878 -41.245 1.00 23.52 ? 50  LYS B CA  1 
ATOM   368  C  C   . LYS A 1 44  ? -35.746 -12.924 -39.994 1.00 21.39 ? 50  LYS B C   1 
ATOM   369  O  O   . LYS A 1 44  ? -35.914 -13.881 -39.210 1.00 21.46 ? 50  LYS B O   1 
ATOM   370  C  CB  . LYS A 1 44  ? -36.171 -13.891 -42.299 1.00 26.93 ? 50  LYS B CB  1 
ATOM   371  C  CG  . LYS A 1 44  ? -34.707 -13.764 -42.663 1.00 32.73 ? 50  LYS B CG  1 
ATOM   372  C  CD  . LYS A 1 44  ? -34.301 -14.564 -43.896 1.00 43.26 ? 50  LYS B CD  1 
ATOM   373  C  CE  . LYS A 1 44  ? -32.801 -14.717 -44.007 1.00 47.55 ? 50  LYS B CE  1 
ATOM   374  N  NZ  . LYS A 1 44  ? -32.454 -15.683 -45.076 1.00 53.74 ? 50  LYS B NZ  1 
ATOM   375  N  N   . GLU A 1 45  ? -34.843 -11.962 -39.814 1.00 20.25 ? 51  GLU B N   1 
ATOM   376  C  CA  . GLU A 1 45  ? -33.929 -11.942 -38.632 1.00 21.01 ? 51  GLU B CA  1 
ATOM   377  C  C   . GLU A 1 45  ? -34.645 -11.411 -37.372 1.00 19.37 ? 51  GLU B C   1 
ATOM   378  O  O   . GLU A 1 45  ? -34.198 -11.745 -36.241 1.00 19.72 ? 51  GLU B O   1 
ATOM   379  C  CB  . GLU A 1 45  ? -32.714 -11.077 -38.930 1.00 24.83 ? 51  GLU B CB  1 
ATOM   380  C  CG  . GLU A 1 45  ? -31.816 -11.575 -40.051 1.00 29.88 ? 51  GLU B CG  1 
ATOM   381  C  CD  . GLU A 1 45  ? -30.635 -10.635 -40.277 1.00 38.61 ? 51  GLU B CD  1 
ATOM   382  O  OE1 . GLU A 1 45  ? -30.584 -10.000 -41.359 1.00 49.85 ? 51  GLU B OE1 1 
ATOM   383  O  OE2 . GLU A 1 45  ? -29.789 -10.480 -39.366 1.00 41.65 ? 51  GLU B OE2 1 
ATOM   384  N  N   . ARG A 1 46  ? -35.683 -10.571 -37.486 1.00 16.72 ? 52  ARG B N   1 
ATOM   385  C  CA  . ARG A 1 46  ? -36.201 -9.869  -36.270 1.00 16.58 ? 52  ARG B CA  1 
ATOM   386  C  C   . ARG A 1 46  ? -36.934 -10.808 -35.315 1.00 15.76 ? 52  ARG B C   1 
ATOM   387  O  O   . ARG A 1 46  ? -37.803 -11.633 -35.721 1.00 17.80 ? 52  ARG B O   1 
ATOM   388  C  CB  . ARG A 1 46  ? -37.181 -8.753  -36.640 1.00 16.98 ? 52  ARG B CB  1 
ATOM   389  C  CG  . ARG A 1 46  ? -36.609 -7.642  -37.490 1.00 17.51 ? 52  ARG B CG  1 
ATOM   390  C  CD  . ARG A 1 46  ? -37.528 -6.412  -37.436 1.00 17.08 ? 52  ARG B CD  1 
ATOM   391  N  NE  . ARG A 1 46  ? -37.018 -5.410  -38.339 1.00 18.00 ? 52  ARG B NE  1 
ATOM   392  C  CZ  . ARG A 1 46  ? -35.912 -4.702  -38.103 1.00 17.74 ? 52  ARG B CZ  1 
ATOM   393  N  NH1 . ARG A 1 46  ? -35.325 -4.713  -36.903 1.00 15.93 ? 52  ARG B NH1 1 
ATOM   394  N  NH2 . ARG A 1 46  ? -35.462 -3.866  -39.023 1.00 20.16 ? 52  ARG B NH2 1 
ATOM   395  N  N   . PHE A 1 47  ? -36.648 -10.715 -34.014 1.00 14.73 ? 53  PHE B N   1 
ATOM   396  C  CA  . PHE A 1 47  ? -37.444 -11.427 -33.001 1.00 14.32 ? 53  PHE B CA  1 
ATOM   397  C  C   . PHE A 1 47  ? -38.866 -10.827 -33.009 1.00 16.39 ? 53  PHE B C   1 
ATOM   398  O  O   . PHE A 1 47  ? -38.998 -9.602  -32.800 1.00 16.48 ? 53  PHE B O   1 
ATOM   399  C  CB  . PHE A 1 47  ? -36.820 -11.341 -31.621 1.00 14.31 ? 53  PHE B CB  1 
ATOM   400  C  CG  . PHE A 1 47  ? -35.572 -12.173 -31.505 1.00 13.02 ? 53  PHE B CG  1 
ATOM   401  C  CD1 . PHE A 1 47  ? -35.667 -13.537 -31.254 1.00 13.03 ? 53  PHE B CD1 1 
ATOM   402  C  CD2 . PHE A 1 47  ? -34.312 -11.614 -31.593 1.00 14.37 ? 53  PHE B CD2 1 
ATOM   403  C  CE1 . PHE A 1 47  ? -34.532 -14.323 -31.122 1.00 14.74 ? 53  PHE B CE1 1 
ATOM   404  C  CE2 . PHE A 1 47  ? -33.181 -12.401 -31.418 1.00 14.36 ? 53  PHE B CE2 1 
ATOM   405  C  CZ  . PHE A 1 47  ? -33.299 -13.772 -31.233 1.00 13.55 ? 53  PHE B CZ  1 
ATOM   406  N  N   . SER A 1 48  ? -39.885 -11.626 -33.272 1.00 17.95 ? 54  SER B N   1 
ATOM   407  C  CA  . SER A 1 48  ? -41.267 -11.099 -33.448 1.00 19.35 ? 54  SER B CA  1 
ATOM   408  C  C   . SER A 1 48  ? -42.023 -10.997 -32.125 1.00 18.92 ? 54  SER B C   1 
ATOM   409  O  O   . SER A 1 48  ? -42.799 -10.029 -31.975 1.00 22.26 ? 54  SER B O   1 
ATOM   410  C  CB  . SER A 1 48  ? -42.008 -11.940 -34.477 1.00 19.50 ? 54  SER B CB  1 
ATOM   411  O  OG  . SER A 1 48  ? -42.126 -13.281 -34.081 1.00 18.83 ? 54  SER B OG  1 
ATOM   412  N  N   . ASN A 1 49  ? -41.895 -11.935 -31.204 1.00 16.98 ? 55  ASN B N   1 
ATOM   413  C  CA  . ASN A 1 49  ? -42.814 -12.088 -30.049 1.00 17.97 ? 55  ASN B CA  1 
ATOM   414  C  C   . ASN A 1 49  ? -42.307 -11.380 -28.802 1.00 16.55 ? 55  ASN B C   1 
ATOM   415  O  O   . ASN A 1 49  ? -43.060 -11.245 -27.824 1.00 19.17 ? 55  ASN B O   1 
ATOM   416  C  CB  . ASN A 1 49  ? -43.126 -13.540 -29.751 1.00 18.33 ? 55  ASN B CB  1 
ATOM   417  C  CG  . ASN A 1 49  ? -44.058 -14.175 -30.772 1.00 22.61 ? 55  ASN B CG  1 
ATOM   418  O  OD1 . ASN A 1 49  ? -43.882 -14.015 -31.982 1.00 23.08 ? 55  ASN B OD1 1 
ATOM   419  N  ND2 . ASN A 1 49  ? -45.017 -14.945 -30.270 1.00 27.23 ? 55  ASN B ND2 1 
ATOM   420  N  N   . TYR A 1 50  ? -41.000 -11.099 -28.745 1.00 14.66 ? 56  TYR B N   1 
ATOM   421  C  CA  . TYR A 1 50  ? -40.393 -10.601 -27.490 1.00 14.58 ? 56  TYR B CA  1 
ATOM   422  C  C   . TYR A 1 50  ? -39.424 -9.462  -27.820 1.00 14.25 ? 56  TYR B C   1 
ATOM   423  O  O   . TYR A 1 50  ? -38.878 -9.391  -28.935 1.00 14.84 ? 56  TYR B O   1 
ATOM   424  C  CB  . TYR A 1 50  ? -39.575 -11.711 -26.832 1.00 14.84 ? 56  TYR B CB  1 
ATOM   425  C  CG  . TYR A 1 50  ? -40.260 -13.051 -26.733 1.00 15.69 ? 56  TYR B CG  1 
ATOM   426  C  CD1 . TYR A 1 50  ? -41.260 -13.251 -25.792 1.00 18.14 ? 56  TYR B CD1 1 
ATOM   427  C  CD2 . TYR A 1 50  ? -39.979 -14.098 -27.586 1.00 16.48 ? 56  TYR B CD2 1 
ATOM   428  C  CE1 . TYR A 1 50  ? -41.918 -14.478 -25.661 1.00 19.77 ? 56  TYR B CE1 1 
ATOM   429  C  CE2 . TYR A 1 50  ? -40.662 -15.302 -27.517 1.00 18.37 ? 56  TYR B CE2 1 
ATOM   430  C  CZ  . TYR A 1 50  ? -41.644 -15.494 -26.553 1.00 19.59 ? 56  TYR B CZ  1 
ATOM   431  O  OH  . TYR A 1 50  ? -42.274 -16.716 -26.442 1.00 19.89 ? 56  TYR B OH  1 
ATOM   432  N  N   . PRO A 1 51  ? -39.128 -8.573  -26.857 1.00 13.38 ? 57  PRO B N   1 
ATOM   433  C  CA  . PRO A 1 51  ? -38.268 -7.407  -27.086 1.00 13.47 ? 57  PRO B CA  1 
ATOM   434  C  C   . PRO A 1 51  ? -36.754 -7.727  -27.052 1.00 12.82 ? 57  PRO B C   1 
ATOM   435  O  O   . PRO A 1 51  ? -36.021 -7.204  -26.237 1.00 14.34 ? 57  PRO B O   1 
ATOM   436  C  CB  . PRO A 1 51  ? -38.631 -6.421  -25.947 1.00 16.94 ? 57  PRO B CB  1 
ATOM   437  C  CG  . PRO A 1 51  ? -39.791 -7.055  -25.240 1.00 15.92 ? 57  PRO B CG  1 
ATOM   438  C  CD  . PRO A 1 51  ? -39.760 -8.519  -25.541 1.00 13.78 ? 57  PRO B CD  1 
ATOM   439  N  N   . MET A 1 52  ? -36.358 -8.615  -27.984 1.00 12.89 ? 58  MET B N   1 
ATOM   440  C  CA  . MET A 1 52  ? -34.997 -9.190  -28.078 1.00 11.27 ? 58  MET B CA  1 
ATOM   441  C  C   . MET A 1 52  ? -34.203 -8.592  -29.219 1.00 12.50 ? 58  MET B C   1 
ATOM   442  O  O   . MET A 1 52  ? -34.733 -8.130  -30.242 1.00 13.32 ? 58  MET B O   1 
ATOM   443  C  CB  . MET A 1 52  ? -35.105 -10.708 -28.255 1.00 11.67 ? 58  MET B CB  1 
ATOM   444  C  CG  . MET A 1 52  ? -35.715 -11.395 -27.067 1.00 11.56 ? 58  MET B CG  1 
ATOM   445  S  SD  . MET A 1 52  ? -36.174 -13.115 -27.423 1.00 14.23 ? 58  MET B SD  1 
ATOM   446  C  CE  . MET A 1 52  ? -36.762 -13.723 -25.859 1.00 14.16 ? 58  MET B CE  1 
ATOM   447  N  N   . VAL A 1 53  ? -32.872 -8.667  -29.064 1.00 12.00 ? 59  VAL B N   1 
ATOM   448  C  CA  . VAL A 1 53  ? -31.894 -8.218  -30.088 1.00 12.11 ? 59  VAL B CA  1 
ATOM   449  C  C   . VAL A 1 53  ? -30.578 -8.981  -29.878 1.00 13.01 ? 59  VAL B C   1 
ATOM   450  O  O   . VAL A 1 53  ? -30.314 -9.378  -28.692 1.00 12.74 ? 59  VAL B O   1 
ATOM   451  C  CB  . VAL A 1 53  ? -31.717 -6.682  -30.045 1.00 12.49 ? 59  VAL B CB  1 
ATOM   452  C  CG1 . VAL A 1 53  ? -31.175 -6.192  -28.719 1.00 13.04 ? 59  VAL B CG1 1 
ATOM   453  C  CG2 . VAL A 1 53  ? -30.844 -6.161  -31.187 1.00 13.52 ? 59  VAL B CG2 1 
ATOM   454  N  N   . LEU A 1 54  ? -29.821 -9.188  -30.938 1.00 12.99 ? 60  LEU B N   1 
ATOM   455  C  CA  . LEU A 1 54  ? -28.486 -9.827  -30.864 1.00 12.93 ? 60  LEU B CA  1 
ATOM   456  C  C   . LEU A 1 54  ? -27.381 -8.813  -31.007 1.00 13.64 ? 60  LEU B C   1 
ATOM   457  O  O   . LEU A 1 54  ? -27.520 -7.719  -31.684 1.00 13.59 ? 60  LEU B O   1 
ATOM   458  C  CB  . LEU A 1 54  ? -28.332 -10.892 -31.952 1.00 13.29 ? 60  LEU B CB  1 
ATOM   459  C  CG  . LEU A 1 54  ? -29.408 -11.957 -32.006 1.00 13.70 ? 60  LEU B CG  1 
ATOM   460  C  CD1 . LEU A 1 54  ? -29.124 -13.056 -33.007 1.00 15.32 ? 60  LEU B CD1 1 
ATOM   461  C  CD2 . LEU A 1 54  ? -29.638 -12.573 -30.629 1.00 13.57 ? 60  LEU B CD2 1 
ATOM   462  N  N   . GLY A 1 55  ? -26.234 -9.152  -30.434 1.00 13.04 ? 61  GLY B N   1 
ATOM   463  C  CA  . GLY A 1 55  ? -24.973 -8.491  -30.790 1.00 13.61 ? 61  GLY B CA  1 
ATOM   464  C  C   . GLY A 1 55  ? -24.600 -8.790  -32.240 1.00 13.25 ? 61  GLY B C   1 
ATOM   465  O  O   . GLY A 1 55  ? -24.890 -9.895  -32.710 1.00 14.19 ? 61  GLY B O   1 
ATOM   466  N  N   . ALA A 1 56  ? -23.796 -7.930  -32.827 1.00 15.39 ? 62  ALA B N   1 
ATOM   467  C  CA  . ALA A 1 56  ? -23.302 -8.107  -34.213 1.00 16.94 ? 62  ALA B CA  1 
ATOM   468  C  C   . ALA A 1 56  ? -22.181 -9.152  -34.248 1.00 18.19 ? 62  ALA B C   1 
ATOM   469  O  O   . ALA A 1 56  ? -22.035 -9.848  -35.268 1.00 21.59 ? 62  ALA B O   1 
ATOM   470  C  CB  . ALA A 1 56  ? -22.827 -6.761  -34.681 1.00 18.44 ? 62  ALA B CB  1 
ATOM   471  N  N   . GLN A 1 57  ? -21.437 -9.268  -33.154 1.00 17.52 ? 63  GLN B N   1 
ATOM   472  C  CA  . GLN A 1 57  ? -20.230 -10.125 -33.132 1.00 17.13 ? 63  GLN B CA  1 
ATOM   473  C  C   . GLN A 1 57  ? -20.669 -11.594 -33.140 1.00 18.69 ? 63  GLN B C   1 
ATOM   474  O  O   . GLN A 1 57  ? -21.681 -11.951 -32.483 1.00 17.93 ? 63  GLN B O   1 
ATOM   475  C  CB  . GLN A 1 57  ? -19.376 -9.776  -31.905 1.00 19.33 ? 63  GLN B CB  1 
ATOM   476  C  CG  . GLN A 1 57  ? -18.692 -8.415  -31.992 1.00 20.87 ? 63  GLN B CG  1 
ATOM   477  C  CD  . GLN A 1 57  ? -19.658 -7.247  -31.870 1.00 21.41 ? 63  GLN B CD  1 
ATOM   478  O  OE1 . GLN A 1 57  ? -20.596 -7.279  -31.085 1.00 18.83 ? 63  GLN B OE1 1 
ATOM   479  N  NE2 . GLN A 1 57  ? -19.410 -6.163  -32.577 1.00 23.42 ? 63  GLN B NE2 1 
ATOM   480  N  N   . ARG A 1 58  ? -19.932 -12.443 -33.860 1.00 18.39 ? 64  ARG B N   1 
ATOM   481  C  CA  . ARG A 1 58  ? -20.088 -13.911 -33.844 1.00 17.91 ? 64  ARG B CA  1 
ATOM   482  C  C   . ARG A 1 58  ? -18.810 -14.533 -33.279 1.00 16.59 ? 64  ARG B C   1 
ATOM   483  O  O   . ARG A 1 58  ? -17.716 -14.093 -33.645 1.00 20.10 ? 64  ARG B O   1 
ATOM   484  C  CB  . ARG A 1 58  ? -20.252 -14.506 -35.253 1.00 22.83 ? 64  ARG B CB  1 
ATOM   485  C  CG  . ARG A 1 58  ? -21.614 -14.314 -35.923 1.00 31.13 ? 64  ARG B CG  1 
ATOM   486  C  CD  . ARG A 1 58  ? -22.157 -12.911 -35.749 1.00 32.49 ? 64  ARG B CD  1 
ATOM   487  N  NE  . ARG A 1 58  ? -23.014 -12.205 -36.712 1.00 37.55 ? 64  ARG B NE  1 
ATOM   488  C  CZ  . ARG A 1 58  ? -23.671 -12.700 -37.757 1.00 36.64 ? 64  ARG B CZ  1 
ATOM   489  N  NH1 . ARG A 1 58  ? -24.397 -11.875 -38.495 1.00 41.77 ? 64  ARG B NH1 1 
ATOM   490  N  NH2 . ARG A 1 58  ? -23.632 -13.977 -38.070 1.00 37.83 ? 64  ARG B NH2 1 
ATOM   491  N  N   . PHE A 1 59  ? -18.949 -15.485 -32.361 1.00 16.57 ? 65  PHE B N   1 
ATOM   492  C  CA  . PHE A 1 59  ? -17.787 -16.140 -31.707 1.00 15.59 ? 65  PHE B CA  1 
ATOM   493  C  C   . PHE A 1 59  ? -17.830 -17.639 -31.983 1.00 14.33 ? 65  PHE B C   1 
ATOM   494  O  O   . PHE A 1 59  ? -18.860 -18.258 -31.768 1.00 14.64 ? 65  PHE B O   1 
ATOM   495  C  CB  . PHE A 1 59  ? -17.880 -15.874 -30.191 1.00 17.55 ? 65  PHE B CB  1 
ATOM   496  C  CG  . PHE A 1 59  ? -17.869 -14.403 -29.827 1.00 19.22 ? 65  PHE B CG  1 
ATOM   497  C  CD1 . PHE A 1 59  ? -16.868 -13.571 -30.314 1.00 23.22 ? 65  PHE B CD1 1 
ATOM   498  C  CD2 . PHE A 1 59  ? -18.855 -13.854 -29.047 1.00 26.38 ? 65  PHE B CD2 1 
ATOM   499  C  CE1 . PHE A 1 59  ? -16.835 -12.216 -30.017 1.00 25.02 ? 65  PHE B CE1 1 
ATOM   500  C  CE2 . PHE A 1 59  ? -18.812 -12.501 -28.728 1.00 21.95 ? 65  PHE B CE2 1 
ATOM   501  C  CZ  . PHE A 1 59  ? -17.833 -11.698 -29.240 1.00 23.11 ? 65  PHE B CZ  1 
ATOM   502  N  N   A SER A 1 60  ? -16.713 -18.224 -32.431 0.25 14.45 ? 66  SER B N   1 
ATOM   503  N  N   B SER A 1 60  ? -16.713 -18.209 -32.461 0.25 14.78 ? 66  SER B N   1 
ATOM   504  C  CA  A SER A 1 60  ? -16.631 -19.676 -32.739 0.25 14.97 ? 66  SER B CA  1 
ATOM   505  C  CA  B SER A 1 60  ? -16.581 -19.656 -32.789 0.25 15.65 ? 66  SER B CA  1 
ATOM   506  C  C   A SER A 1 60  ? -15.403 -20.306 -32.058 0.25 15.07 ? 66  SER B C   1 
ATOM   507  C  C   B SER A 1 60  ? -15.308 -20.244 -32.174 0.25 16.24 ? 66  SER B C   1 
ATOM   508  O  O   A SER A 1 60  ? -15.257 -21.548 -32.127 0.25 14.16 ? 66  SER B O   1 
ATOM   509  O  O   B SER A 1 60  ? -14.896 -21.334 -32.618 0.25 16.25 ? 66  SER B O   1 
ATOM   510  C  CB  A SER A 1 60  ? -16.671 -19.900 -34.236 0.25 15.70 ? 66  SER B CB  1 
ATOM   511  C  CB  B SER A 1 60  ? -16.565 -19.879 -34.270 0.25 15.95 ? 66  SER B CB  1 
ATOM   512  O  OG  A SER A 1 60  ? -18.006 -19.702 -34.738 0.25 16.12 ? 66  SER B OG  1 
ATOM   513  O  OG  B SER A 1 60  ? -15.501 -19.169 -34.861 0.25 16.20 ? 66  SER B OG  1 
ATOM   514  N  N   A SER A 1 61  ? -14.616 -19.499 -31.341 0.25 15.14 ? 67  SER B N   1 
ATOM   515  N  N   B SER A 1 61  ? -14.733 -19.570 -31.181 0.25 17.12 ? 67  SER B N   1 
ATOM   516  C  CA  A SER A 1 61  ? -13.411 -19.943 -30.600 0.25 15.85 ? 67  SER B CA  1 
ATOM   517  C  CA  B SER A 1 61  ? -13.445 -19.959 -30.569 0.25 18.34 ? 67  SER B CA  1 
ATOM   518  C  C   A SER A 1 61  ? -13.110 -18.972 -29.458 0.25 16.38 ? 67  SER B C   1 
ATOM   519  C  C   B SER A 1 61  ? -13.032 -18.934 -29.517 0.25 17.85 ? 67  SER B C   1 
ATOM   520  O  O   A SER A 1 61  ? -13.727 -17.902 -29.424 0.25 16.66 ? 67  SER B O   1 
ATOM   521  O  O   B SER A 1 61  ? -13.438 -17.771 -29.647 0.25 17.52 ? 67  SER B O   1 
ATOM   522  C  CB  A SER A 1 61  ? -12.237 -20.050 -31.544 0.25 15.91 ? 67  SER B CB  1 
ATOM   523  C  CB  B SER A 1 61  ? -12.397 -20.073 -31.640 0.25 19.84 ? 67  SER B CB  1 
ATOM   524  O  OG  A SER A 1 61  ? -11.797 -18.763 -31.939 0.25 14.79 ? 67  SER B OG  1 
ATOM   525  O  OG  B SER A 1 61  ? -11.128 -20.265 -31.049 0.25 22.20 ? 67  SER B OG  1 
ATOM   526  N  N   . GLY A 1 62  ? -12.184 -19.337 -28.568 1.00 18.61 ? 68  GLY B N   1 
ATOM   527  C  CA  . GLY A 1 62  ? -11.575 -18.360 -27.652 1.00 19.39 ? 68  GLY B CA  1 
ATOM   528  C  C   . GLY A 1 62  ? -12.402 -18.056 -26.421 1.00 17.13 ? 68  GLY B C   1 
ATOM   529  O  O   . GLY A 1 62  ? -13.433 -18.720 -26.170 1.00 17.07 ? 68  GLY B O   1 
ATOM   530  N  N   . LYS A 1 63  ? -11.920 -17.053 -25.708 1.00 16.49 ? 69  LYS B N   1 
ATOM   531  C  CA  . LYS A 1 63  ? -12.475 -16.591 -24.439 1.00 15.68 ? 69  LYS B CA  1 
ATOM   532  C  C   . LYS A 1 63  ? -12.899 -15.146 -24.672 1.00 15.55 ? 69  LYS B C   1 
ATOM   533  O  O   . LYS A 1 63  ? -12.140 -14.360 -25.211 1.00 17.12 ? 69  LYS B O   1 
ATOM   534  C  CB  . LYS A 1 63  ? -11.480 -16.751 -23.286 1.00 17.65 ? 69  LYS B CB  1 
ATOM   535  C  CG  . LYS A 1 63  ? -11.086 -18.191 -22.966 1.00 17.94 ? 69  LYS B CG  1 
ATOM   536  C  CD  . LYS A 1 63  ? -9.941  -18.275 -21.898 1.00 21.87 ? 69  LYS B CD  1 
ATOM   537  C  CE  . LYS A 1 63  ? -9.528  -19.695 -21.598 1.00 25.57 ? 69  LYS B CE  1 
ATOM   538  N  NZ  . LYS A 1 63  ? -8.525  -19.719 -20.505 1.00 28.22 ? 69  LYS B NZ  1 
ATOM   539  N  N   . MET A 1 64  ? -14.125 -14.818 -24.267 1.00 14.54 ? 70  MET B N   1 
ATOM   540  C  CA  . MET A 1 64  ? -14.758 -13.494 -24.487 1.00 14.85 ? 70  MET B CA  1 
ATOM   541  C  C   . MET A 1 64  ? -15.446 -13.054 -23.194 1.00 13.95 ? 70  MET B C   1 
ATOM   542  O  O   . MET A 1 64  ? -16.007 -13.864 -22.497 1.00 15.81 ? 70  MET B O   1 
ATOM   543  C  CB  . MET A 1 64  ? -15.865 -13.605 -25.524 1.00 15.68 ? 70  MET B CB  1 
ATOM   544  C  CG  . MET A 1 64  ? -15.416 -13.733 -26.962 1.00 16.85 ? 70  MET B CG  1 
ATOM   545  S  SD  . MET A 1 64  ? -14.669 -15.322 -27.475 1.00 19.06 ? 70  MET B SD  1 
ATOM   546  C  CE  . MET A 1 64  ? -15.882 -16.538 -27.007 1.00 19.59 ? 70  MET B CE  1 
ATOM   547  N  N   . TYR A 1 65  ? -15.400 -11.773 -22.888 1.00 13.53 ? 71  TYR B N   1 
ATOM   548  C  CA  . TYR A 1 65  ? -15.991 -11.190 -21.661 1.00 14.47 ? 71  TYR B CA  1 
ATOM   549  C  C   . TYR A 1 65  ? -16.599 -9.840  -22.030 1.00 14.96 ? 71  TYR B C   1 
ATOM   550  O  O   . TYR A 1 65  ? -15.977 -9.019  -22.772 1.00 16.15 ? 71  TYR B O   1 
ATOM   551  C  CB  . TYR A 1 65  ? -14.943 -10.997 -20.563 1.00 15.54 ? 71  TYR B CB  1 
ATOM   552  C  CG  . TYR A 1 65  ? -15.450 -10.406 -19.272 1.00 15.12 ? 71  TYR B CG  1 
ATOM   553  C  CD1 . TYR A 1 65  ? -16.175 -11.165 -18.372 1.00 15.67 ? 71  TYR B CD1 1 
ATOM   554  C  CD2 . TYR A 1 65  ? -15.325 -9.042  -19.041 1.00 15.95 ? 71  TYR B CD2 1 
ATOM   555  C  CE1 . TYR A 1 65  ? -16.683 -10.622 -17.193 1.00 16.07 ? 71  TYR B CE1 1 
ATOM   556  C  CE2 . TYR A 1 65  ? -15.824 -8.489  -17.871 1.00 15.46 ? 71  TYR B CE2 1 
ATOM   557  C  CZ  . TYR A 1 65  ? -16.535 -9.257  -16.977 1.00 15.77 ? 71  TYR B CZ  1 
ATOM   558  O  OH  . TYR A 1 65  ? -16.980 -8.655  -15.832 1.00 18.37 ? 71  TYR B OH  1 
ATOM   559  N  N   . TRP A 1 66  ? -17.817 -9.589  -21.568 1.00 12.64 ? 72  TRP B N   1 
ATOM   560  C  CA  . TRP A 1 66  ? -18.385 -8.225  -21.666 1.00 13.20 ? 72  TRP B CA  1 
ATOM   561  C  C   . TRP A 1 66  ? -19.300 -7.950  -20.453 1.00 14.23 ? 72  TRP B C   1 
ATOM   562  O  O   . TRP A 1 66  ? -19.614 -8.880  -19.687 1.00 13.95 ? 72  TRP B O   1 
ATOM   563  C  CB  . TRP A 1 66  ? -19.123 -8.032  -23.018 1.00 13.06 ? 72  TRP B CB  1 
ATOM   564  C  CG  . TRP A 1 66  ? -20.305 -8.910  -23.267 1.00 12.06 ? 72  TRP B CG  1 
ATOM   565  C  CD1 . TRP A 1 66  ? -21.639 -8.626  -23.050 1.00 13.11 ? 72  TRP B CD1 1 
ATOM   566  C  CD2 . TRP A 1 66  ? -20.307 -10.234 -23.813 1.00 13.47 ? 72  TRP B CD2 1 
ATOM   567  N  NE1 . TRP A 1 66  ? -22.427 -9.673  -23.465 1.00 13.69 ? 72  TRP B NE1 1 
ATOM   568  C  CE2 . TRP A 1 66  ? -21.639 -10.688 -23.893 1.00 14.39 ? 72  TRP B CE2 1 
ATOM   569  C  CE3 . TRP A 1 66  ? -19.280 -11.077 -24.238 1.00 16.07 ? 72  TRP B CE3 1 
ATOM   570  C  CZ2 . TRP A 1 66  ? -21.971 -11.935 -24.395 1.00 15.61 ? 72  TRP B CZ2 1 
ATOM   571  C  CZ3 . TRP A 1 66  ? -19.601 -12.320 -24.725 1.00 18.81 ? 72  TRP B CZ3 1 
ATOM   572  C  CH2 . TRP A 1 66  ? -20.925 -12.746 -24.774 1.00 17.03 ? 72  TRP B CH2 1 
ATOM   573  N  N   . GLU A 1 67  ? -19.730 -6.688  -20.289 1.00 13.87 ? 73  GLU B N   1 
ATOM   574  C  CA  . GLU A 1 67  ? -20.548 -6.258  -19.115 1.00 14.09 ? 73  GLU B CA  1 
ATOM   575  C  C   . GLU A 1 67  ? -21.761 -5.482  -19.602 1.00 13.96 ? 73  GLU B C   1 
ATOM   576  O  O   . GLU A 1 67  ? -21.642 -4.798  -20.625 1.00 14.58 ? 73  GLU B O   1 
ATOM   577  C  CB  . GLU A 1 67  ? -19.727 -5.397  -18.170 1.00 15.31 ? 73  GLU B CB  1 
ATOM   578  C  CG  . GLU A 1 67  ? -18.608 -6.219  -17.529 1.00 17.86 ? 73  GLU B CG  1 
ATOM   579  C  CD  . GLU A 1 67  ? -17.761 -5.473  -16.513 1.00 23.42 ? 73  GLU B CD  1 
ATOM   580  O  OE1 . GLU A 1 67  ? -17.937 -4.205  -16.436 1.00 26.48 ? 73  GLU B OE1 1 
ATOM   581  O  OE2 . GLU A 1 67  ? -16.926 -6.137  -15.781 1.00 21.40 ? 73  GLU B OE2 1 
ATOM   582  N  N   . VAL A 1 68  ? -22.872 -5.676  -18.917 1.00 14.11 ? 74  VAL B N   1 
ATOM   583  C  CA  . VAL A 1 68  ? -24.159 -5.047  -19.262 1.00 14.11 ? 74  VAL B CA  1 
ATOM   584  C  C   . VAL A 1 68  ? -24.737 -4.368  -18.020 1.00 13.36 ? 74  VAL B C   1 
ATOM   585  O  O   . VAL A 1 68  ? -24.804 -4.977  -16.953 1.00 14.25 ? 74  VAL B O   1 
ATOM   586  C  CB  . VAL A 1 68  ? -25.161 -6.068  -19.794 1.00 13.88 ? 74  VAL B CB  1 
ATOM   587  C  CG1 . VAL A 1 68  ? -26.418 -5.330  -20.211 1.00 15.08 ? 74  VAL B CG1 1 
ATOM   588  C  CG2 . VAL A 1 68  ? -24.574 -6.916  -20.898 1.00 14.94 ? 74  VAL B CG2 1 
ATOM   589  N  N   . ASP A 1 69  ? -25.149 -3.102  -18.186 1.00 13.82 ? 75  ASP B N   1 
ATOM   590  C  CA  . ASP A 1 69  ? -25.828 -2.332  -17.125 1.00 14.78 ? 75  ASP B CA  1 
ATOM   591  C  C   . ASP A 1 69  ? -27.322 -2.602  -17.177 1.00 12.81 ? 75  ASP B C   1 
ATOM   592  O  O   . ASP A 1 69  ? -27.921 -2.493  -18.301 1.00 14.42 ? 75  ASP B O   1 
ATOM   593  C  CB  . ASP A 1 69  ? -25.509 -0.836  -17.264 1.00 16.78 ? 75  ASP B CB  1 
ATOM   594  C  CG  . ASP A 1 69  ? -25.894 -0.013  -16.029 1.00 18.58 ? 75  ASP B CG  1 
ATOM   595  O  OD1 . ASP A 1 69  ? -27.044 0.019   -15.665 1.00 18.61 ? 75  ASP B OD1 1 
ATOM   596  O  OD2 . ASP A 1 69  ? -24.993 0.488   -15.381 1.00 24.81 ? 75  ASP B OD2 1 
ATOM   597  N  N   . VAL A 1 70  ? -27.884 -3.023  -16.044 1.00 13.87 ? 76  VAL B N   1 
ATOM   598  C  CA  . VAL A 1 70  ? -29.324 -3.340  -15.852 1.00 14.06 ? 76  VAL B CA  1 
ATOM   599  C  C   . VAL A 1 70  ? -29.978 -2.450  -14.781 1.00 15.67 ? 76  VAL B C   1 
ATOM   600  O  O   . VAL A 1 70  ? -31.060 -2.757  -14.320 1.00 14.97 ? 76  VAL B O   1 
ATOM   601  C  CB  . VAL A 1 70  ? -29.468 -4.856  -15.525 1.00 14.09 ? 76  VAL B CB  1 
ATOM   602  C  CG1 . VAL A 1 70  ? -28.894 -5.747  -16.653 1.00 14.03 ? 76  VAL B CG1 1 
ATOM   603  C  CG2 . VAL A 1 70  ? -28.861 -5.249  -14.182 1.00 14.52 ? 76  VAL B CG2 1 
ATOM   604  N  N   . THR A 1 71  ? -29.361 -1.319  -14.443 1.00 15.39 ? 77  THR B N   1 
ATOM   605  C  CA  . THR A 1 71  ? -29.846 -0.409  -13.386 1.00 16.50 ? 77  THR B CA  1 
ATOM   606  C  C   . THR A 1 71  ? -31.344 -0.099  -13.569 1.00 16.63 ? 77  THR B C   1 
ATOM   607  O  O   . THR A 1 71  ? -31.768 0.263   -14.691 1.00 15.94 ? 77  THR B O   1 
ATOM   608  C  CB  . THR A 1 71  ? -29.057 0.893   -13.406 1.00 17.38 ? 77  THR B CB  1 
ATOM   609  O  OG1 . THR A 1 71  ? -27.672 0.639   -13.139 1.00 19.55 ? 77  THR B OG1 1 
ATOM   610  C  CG2 . THR A 1 71  ? -29.627 1.837   -12.372 1.00 21.27 ? 77  THR B CG2 1 
ATOM   611  N  N   . GLN A 1 72  ? -32.077 -0.267  -12.473 1.00 20.11 ? 78  GLN B N   1 
ATOM   612  C  CA  . GLN A 1 72  ? -33.513 0.052   -12.239 1.00 23.93 ? 78  GLN B CA  1 
ATOM   613  C  C   . GLN A 1 72  ? -34.444 -0.724  -13.176 1.00 24.61 ? 78  GLN B C   1 
ATOM   614  O  O   . GLN A 1 72  ? -35.649 -0.420  -13.192 1.00 28.26 ? 78  GLN B O   1 
ATOM   615  C  CB  . GLN A 1 72  ? -33.708 1.568   -12.270 1.00 29.35 ? 78  GLN B CB  1 
ATOM   616  C  CG  . GLN A 1 72  ? -33.555 2.213   -13.644 1.00 36.72 ? 78  GLN B CG  1 
ATOM   617  C  CD  . GLN A 1 72  ? -34.664 3.191   -13.964 1.00 40.50 ? 78  GLN B CD  1 
ATOM   618  O  OE1 . GLN A 1 72  ? -34.446 4.201   -14.638 1.00 41.27 ? 78  GLN B OE1 1 
ATOM   619  N  NE2 . GLN A 1 72  ? -35.878 2.859   -13.532 1.00 42.66 ? 78  GLN B NE2 1 
ATOM   620  N  N   . LYS A 1 73  ? -34.002 -1.772  -13.858 1.00 17.00 ? 79  LYS B N   1 
ATOM   621  C  CA  . LYS A 1 73  ? -34.968 -2.618  -14.593 1.00 16.76 ? 79  LYS B CA  1 
ATOM   622  C  C   . LYS A 1 73  ? -35.639 -3.681  -13.704 1.00 14.51 ? 79  LYS B C   1 
ATOM   623  O  O   . LYS A 1 73  ? -35.018 -4.178  -12.700 1.00 16.99 ? 79  LYS B O   1 
ATOM   624  C  CB  . LYS A 1 73  ? -34.242 -3.290  -15.761 1.00 17.06 ? 79  LYS B CB  1 
ATOM   625  C  CG  . LYS A 1 73  ? -33.806 -2.299  -16.841 1.00 17.40 ? 79  LYS B CG  1 
ATOM   626  C  CD  . LYS A 1 73  ? -33.313 -2.949  -18.111 1.00 18.34 ? 79  LYS B CD  1 
ATOM   627  C  CE  . LYS A 1 73  ? -34.379 -3.683  -18.891 1.00 16.68 ? 79  LYS B CE  1 
ATOM   628  N  NZ  . LYS A 1 73  ? -35.558 -2.830  -19.228 1.00 14.87 ? 79  LYS B NZ  1 
ATOM   629  N  N   . GLU A 1 74  ? -36.903 -3.960  -13.992 1.00 13.47 ? 80  GLU B N   1 
ATOM   630  C  CA  . GLU A 1 74  ? -37.715 -4.974  -13.297 1.00 13.85 ? 80  GLU B CA  1 
ATOM   631  C  C   . GLU A 1 74  ? -37.631 -6.330  -13.986 1.00 13.20 ? 80  GLU B C   1 
ATOM   632  O  O   . GLU A 1 74  ? -37.994 -7.348  -13.397 1.00 14.63 ? 80  GLU B O   1 
ATOM   633  C  CB  . GLU A 1 74  ? -39.205 -4.568  -13.301 1.00 15.28 ? 80  GLU B CB  1 
ATOM   634  C  CG  . GLU A 1 74  ? -39.474 -3.318  -12.493 1.00 17.22 ? 80  GLU B CG  1 
ATOM   635  C  CD  . GLU A 1 74  ? -40.952 -2.904  -12.589 1.00 17.65 ? 80  GLU B CD  1 
ATOM   636  O  OE1 . GLU A 1 74  ? -41.366 -2.074  -11.776 1.00 22.17 ? 80  GLU B OE1 1 
ATOM   637  O  OE2 . GLU A 1 74  ? -41.674 -3.430  -13.497 1.00 20.93 ? 80  GLU B OE2 1 
ATOM   638  N  N   . ALA A 1 75  ? -37.254 -6.372  -15.261 1.00 13.19 ? 81  ALA B N   1 
ATOM   639  C  CA  . ALA A 1 75  ? -37.288 -7.633  -16.033 1.00 12.36 ? 81  ALA B CA  1 
ATOM   640  C  C   . ALA A 1 75  ? -36.301 -7.521  -17.191 1.00 14.33 ? 81  ALA B C   1 
ATOM   641  O  O   . ALA A 1 75  ? -36.233 -6.450  -17.833 1.00 13.59 ? 81  ALA B O   1 
ATOM   642  C  CB  . ALA A 1 75  ? -38.675 -7.929  -16.576 1.00 14.17 ? 81  ALA B CB  1 
ATOM   643  N  N   . TRP A 1 76  ? -35.571 -8.594  -17.475 1.00 12.67 ? 82  TRP B N   1 
ATOM   644  C  CA  . TRP A 1 76  ? -34.584 -8.650  -18.604 1.00 12.56 ? 82  TRP B CA  1 
ATOM   645  C  C   . TRP A 1 76  ? -34.074 -10.077 -18.697 1.00 13.20 ? 82  TRP B C   1 
ATOM   646  O  O   . TRP A 1 76  ? -34.201 -10.824 -17.731 1.00 12.96 ? 82  TRP B O   1 
ATOM   647  C  CB  . TRP A 1 76  ? -33.404 -7.682  -18.424 1.00 13.30 ? 82  TRP B CB  1 
ATOM   648  C  CG  . TRP A 1 76  ? -32.746 -7.713  -17.075 1.00 13.28 ? 82  TRP B CG  1 
ATOM   649  C  CD1 . TRP A 1 76  ? -32.961 -6.855  -16.048 1.00 14.92 ? 82  TRP B CD1 1 
ATOM   650  C  CD2 . TRP A 1 76  ? -31.789 -8.673  -16.549 1.00 13.06 ? 82  TRP B CD2 1 
ATOM   651  N  NE1 . TRP A 1 76  ? -32.182 -7.147  -14.964 1.00 14.66 ? 82  TRP B NE1 1 
ATOM   652  C  CE2 . TRP A 1 76  ? -31.514 -8.326  -15.213 1.00 14.19 ? 82  TRP B CE2 1 
ATOM   653  C  CE3 . TRP A 1 76  ? -31.179 -9.837  -17.064 1.00 14.81 ? 82  TRP B CE3 1 
ATOM   654  C  CZ2 . TRP A 1 76  ? -30.576 -8.974  -14.418 1.00 14.07 ? 82  TRP B CZ2 1 
ATOM   655  C  CZ3 . TRP A 1 76  ? -30.258 -10.492 -16.271 1.00 13.52 ? 82  TRP B CZ3 1 
ATOM   656  C  CH2 . TRP A 1 76  ? -30.012 -10.109 -14.945 1.00 14.89 ? 82  TRP B CH2 1 
ATOM   657  N  N   . ASP A 1 77  ? -33.538 -10.432 -19.861 1.00 12.60 ? 83  ASP B N   1 
ATOM   658  C  CA  . ASP A 1 77  ? -32.801 -11.709 -20.074 1.00 13.24 ? 83  ASP B CA  1 
ATOM   659  C  C   . ASP A 1 77  ? -31.445 -11.320 -20.677 1.00 12.64 ? 83  ASP B C   1 
ATOM   660  O  O   . ASP A 1 77  ? -31.423 -10.391 -21.547 1.00 12.63 ? 83  ASP B O   1 
ATOM   661  C  CB  . ASP A 1 77  ? -33.492 -12.687 -21.017 1.00 14.40 ? 83  ASP B CB  1 
ATOM   662  C  CG  . ASP A 1 77  ? -34.990 -12.876 -20.887 1.00 16.53 ? 83  ASP B CG  1 
ATOM   663  O  OD1 . ASP A 1 77  ? -35.446 -12.836 -19.784 1.00 21.42 ? 83  ASP B OD1 1 
ATOM   664  O  OD2 . ASP A 1 77  ? -35.642 -13.044 -21.936 1.00 19.19 ? 83  ASP B OD2 1 
ATOM   665  N  N   . LEU A 1 78  ? -30.354 -11.994 -20.320 1.00 11.27 ? 84  LEU B N   1 
ATOM   666  C  CA  . LEU A 1 78  ? -29.001 -11.739 -20.853 1.00 11.88 ? 84  LEU B CA  1 
ATOM   667  C  C   . LEU A 1 78  ? -28.294 -13.079 -21.017 1.00 11.50 ? 84  LEU B C   1 
ATOM   668  O  O   . LEU A 1 78  ? -28.444 -13.988 -20.187 1.00 11.16 ? 84  LEU B O   1 
ATOM   669  C  CB  . LEU A 1 78  ? -28.198 -10.882 -19.888 1.00 12.06 ? 84  LEU B CB  1 
ATOM   670  C  CG  . LEU A 1 78  ? -28.557 -9.408  -19.768 1.00 13.64 ? 84  LEU B CG  1 
ATOM   671  C  CD1 . LEU A 1 78  ? -27.710 -8.794  -18.668 1.00 14.92 ? 84  LEU B CD1 1 
ATOM   672  C  CD2 . LEU A 1 78  ? -28.377 -8.710  -21.085 1.00 13.87 ? 84  LEU B CD2 1 
ATOM   673  N  N   . GLY A 1 79  ? -27.435 -13.114 -22.034 1.00 10.25 ? 85  GLY B N   1 
ATOM   674  C  CA  . GLY A 1 79  ? -26.467 -14.210 -22.176 1.00 11.91 ? 85  GLY B CA  1 
ATOM   675  C  C   . GLY A 1 79  ? -25.942 -14.304 -23.593 1.00 10.02 ? 85  GLY B C   1 
ATOM   676  O  O   . GLY A 1 79  ? -25.593 -13.290 -24.175 1.00 11.02 ? 85  GLY B O   1 
ATOM   677  N  N   A VAL A 1 80  ? -25.876 -15.534 -24.104 0.25 10.31 ? 86  VAL B N   1 
ATOM   678  N  N   B VAL A 1 80  ? -25.915 -15.515 -24.135 0.25 10.76 ? 86  VAL B N   1 
ATOM   679  C  CA  A VAL A 1 80  ? -25.474 -15.841 -25.505 0.25 10.75 ? 86  VAL B CA  1 
ATOM   680  C  CA  B VAL A 1 80  ? -25.401 -15.785 -25.505 0.25 11.47 ? 86  VAL B CA  1 
ATOM   681  C  C   A VAL A 1 80  ? -26.493 -16.791 -26.129 0.25 11.01 ? 86  VAL B C   1 
ATOM   682  C  C   B VAL A 1 80  ? -26.290 -16.876 -26.125 0.25 11.39 ? 86  VAL B C   1 
ATOM   683  O  O   A VAL A 1 80  ? -27.273 -17.457 -25.423 0.25 11.20 ? 86  VAL B O   1 
ATOM   684  O  O   B VAL A 1 80  ? -26.814 -17.715 -25.378 0.25 11.57 ? 86  VAL B O   1 
ATOM   685  C  CB  A VAL A 1 80  ? -24.067 -16.467 -25.588 0.25 11.07 ? 86  VAL B CB  1 
ATOM   686  C  CB  B VAL A 1 80  ? -23.909 -16.177 -25.426 0.25 12.46 ? 86  VAL B CB  1 
ATOM   687  C  CG1 A VAL A 1 80  ? -23.008 -15.430 -25.307 0.25 10.88 ? 86  VAL B CG1 1 
ATOM   688  C  CG1 B VAL A 1 80  ? -23.731 -17.580 -24.867 0.25 12.78 ? 86  VAL B CG1 1 
ATOM   689  C  CG2 A VAL A 1 80  ? -23.917 -17.662 -24.656 0.25 11.18 ? 86  VAL B CG2 1 
ATOM   690  C  CG2 B VAL A 1 80  ? -23.199 -16.042 -26.759 0.25 13.40 ? 86  VAL B CG2 1 
ATOM   691  N  N   . CYS A 1 81  ? -26.475 -16.864 -27.447 1.00 11.04 ? 87  CYS B N   1 
ATOM   692  C  CA  . CYS A 1 81  ? -27.277 -17.863 -28.150 1.00 12.53 ? 87  CYS B CA  1 
ATOM   693  C  C   . CYS A 1 81  ? -26.618 -18.248 -29.463 1.00 12.62 ? 87  CYS B C   1 
ATOM   694  O  O   . CYS A 1 81  ? -25.718 -17.545 -29.959 1.00 12.28 ? 87  CYS B O   1 
ATOM   695  C  CB  . CYS A 1 81  ? -28.685 -17.351 -28.432 1.00 14.18 ? 87  CYS B CB  1 
ATOM   696  S  SG  . CYS A 1 81  ? -28.753 -15.913 -29.538 1.00 14.57 ? 87  CYS B SG  1 
ATOM   697  N  N   A ARG A 1 82  ? -27.025 -19.394 -29.987 0.25 12.80 ? 88  ARG B N   1 
ATOM   698  N  N   B ARG A 1 82  ? -27.015 -19.400 -29.987 0.25 11.92 ? 88  ARG B N   1 
ATOM   699  C  CA  A ARG A 1 82  ? -26.621 -19.808 -31.348 0.25 14.11 ? 88  ARG B CA  1 
ATOM   700  C  CA  B ARG A 1 82  ? -26.564 -19.868 -31.321 0.25 12.55 ? 88  ARG B CA  1 
ATOM   701  C  C   A ARG A 1 82  ? -27.049 -18.742 -32.353 0.25 13.20 ? 88  ARG B C   1 
ATOM   702  C  C   B ARG A 1 82  ? -27.091 -18.896 -32.396 0.25 12.54 ? 88  ARG B C   1 
ATOM   703  O  O   A ARG A 1 82  ? -28.107 -18.116 -32.182 0.25 12.84 ? 88  ARG B O   1 
ATOM   704  O  O   B ARG A 1 82  ? -28.280 -18.480 -32.310 0.25 12.08 ? 88  ARG B O   1 
ATOM   705  C  CB  A ARG A 1 82  ? -27.269 -21.136 -31.728 0.25 15.44 ? 88  ARG B CB  1 
ATOM   706  C  CB  B ARG A 1 82  ? -27.041 -21.313 -31.515 0.25 12.51 ? 88  ARG B CB  1 
ATOM   707  C  CG  A ARG A 1 82  ? -26.785 -22.276 -30.858 0.25 16.52 ? 88  ARG B CG  1 
ATOM   708  C  CG  B ARG A 1 82  ? -26.412 -22.023 -32.705 0.25 12.25 ? 88  ARG B CG  1 
ATOM   709  C  CD  A ARG A 1 82  ? -27.256 -23.619 -31.356 0.25 17.68 ? 88  ARG B CD  1 
ATOM   710  C  CD  B ARG A 1 82  ? -26.962 -23.409 -32.947 0.25 12.08 ? 88  ARG B CD  1 
ATOM   711  N  NE  A ARG A 1 82  ? -26.997 -24.654 -30.364 0.25 17.45 ? 88  ARG B NE  1 
ATOM   712  N  NE  B ARG A 1 82  ? -26.843 -24.226 -31.759 0.25 12.06 ? 88  ARG B NE  1 
ATOM   713  C  CZ  A ARG A 1 82  ? -27.877 -25.579 -30.026 0.25 17.32 ? 88  ARG B CZ  1 
ATOM   714  C  CZ  B ARG A 1 82  ? -27.862 -24.794 -31.118 0.25 11.93 ? 88  ARG B CZ  1 
ATOM   715  N  NH1 A ARG A 1 82  ? -29.077 -25.575 -30.576 0.25 16.39 ? 88  ARG B NH1 1 
ATOM   716  N  NH1 B ARG A 1 82  ? -29.087 -24.694 -31.583 0.25 12.96 ? 88  ARG B NH1 1 
ATOM   717  N  NH2 A ARG A 1 82  ? -27.558 -26.497 -29.136 0.25 19.37 ? 88  ARG B NH2 1 
ATOM   718  N  NH2 B ARG A 1 82  ? -27.637 -25.469 -30.005 0.25 11.38 ? 88  ARG B NH2 1 
ATOM   719  N  N   . ASP A 1 83  ? -26.269 -18.587 -33.407 1.00 14.00 ? 89  ASP B N   1 
ATOM   720  C  CA  . ASP A 1 83  ? -26.668 -17.673 -34.516 1.00 15.29 ? 89  ASP B CA  1 
ATOM   721  C  C   . ASP A 1 83  ? -27.971 -18.182 -35.138 1.00 16.76 ? 89  ASP B C   1 
ATOM   722  O  O   . ASP A 1 83  ? -28.706 -17.349 -35.669 1.00 20.18 ? 89  ASP B O   1 
ATOM   723  C  CB  . ASP A 1 83  ? -25.533 -17.574 -35.531 1.00 18.00 ? 89  ASP B CB  1 
ATOM   724  C  CG  . ASP A 1 83  ? -25.159 -18.852 -36.235 1.00 21.16 ? 89  ASP B CG  1 
ATOM   725  O  OD1 . ASP A 1 83  ? -25.587 -19.977 -35.806 1.00 23.41 ? 89  ASP B OD1 1 
ATOM   726  O  OD2 . ASP A 1 83  ? -24.392 -18.719 -37.236 1.00 24.95 ? 89  ASP B OD2 1 
ATOM   727  N  N   . SER A 1 84  ? -28.277 -19.488 -35.106 1.00 15.17 ? 90  SER B N   1 
ATOM   728  C  CA  . SER A 1 84  ? -29.441 -20.071 -35.814 1.00 17.54 ? 90  SER B CA  1 
ATOM   729  C  C   . SER A 1 84  ? -30.699 -20.202 -34.936 1.00 15.92 ? 90  SER B C   1 
ATOM   730  O  O   . SER A 1 84  ? -31.588 -20.946 -35.323 1.00 16.57 ? 90  SER B O   1 
ATOM   731  C  CB  . SER A 1 84  ? -29.055 -21.411 -36.423 1.00 19.48 ? 90  SER B CB  1 
ATOM   732  O  OG  . SER A 1 84  ? -28.535 -22.238 -35.434 1.00 19.58 ? 90  SER B OG  1 
ATOM   733  N  N   . VAL A 1 85  ? -30.767 -19.570 -33.749 1.00 14.92 ? 91  VAL B N   1 
ATOM   734  C  CA  . VAL A 1 85  ? -31.993 -19.647 -32.911 1.00 15.24 ? 91  VAL B CA  1 
ATOM   735  C  C   . VAL A 1 85  ? -33.205 -19.172 -33.715 1.00 14.67 ? 91  VAL B C   1 
ATOM   736  O  O   . VAL A 1 85  ? -33.095 -18.253 -34.565 1.00 16.09 ? 91  VAL B O   1 
ATOM   737  C  CB  . VAL A 1 85  ? -31.878 -18.924 -31.551 1.00 13.71 ? 91  VAL B CB  1 
ATOM   738  C  CG1 . VAL A 1 85  ? -30.844 -19.592 -30.649 1.00 14.04 ? 91  VAL B CG1 1 
ATOM   739  C  CG2 . VAL A 1 85  ? -31.653 -17.437 -31.656 1.00 13.75 ? 91  VAL B CG2 1 
ATOM   740  N  N   . GLN A 1 86  ? -34.326 -19.791 -33.404 1.00 16.73 ? 92  GLN B N   1 
ATOM   741  C  CA  . GLN A 1 86  ? -35.686 -19.382 -33.870 1.00 17.67 ? 92  GLN B CA  1 
ATOM   742  C  C   . GLN A 1 86  ? -35.895 -17.884 -33.569 1.00 17.03 ? 92  GLN B C   1 
ATOM   743  O  O   . GLN A 1 86  ? -35.578 -17.447 -32.469 1.00 17.62 ? 92  GLN B O   1 
ATOM   744  C  CB  . GLN A 1 86  ? -36.687 -20.299 -33.169 1.00 20.16 ? 92  GLN B CB  1 
ATOM   745  C  CG  . GLN A 1 86  ? -38.163 -19.993 -33.398 1.00 23.15 ? 92  GLN B CG  1 
ATOM   746  C  CD  . GLN A 1 86  ? -39.061 -20.843 -32.507 1.00 25.93 ? 92  GLN B CD  1 
ATOM   747  O  OE1 . GLN A 1 86  ? -38.658 -21.863 -31.919 1.00 28.41 ? 92  GLN B OE1 1 
ATOM   748  N  NE2 . GLN A 1 86  ? -40.338 -20.456 -32.404 1.00 28.33 ? 92  GLN B NE2 1 
ATOM   749  N  N   . ARG A 1 87  ? -36.503 -17.158 -34.498 1.00 15.30 ? 93  ARG B N   1 
ATOM   750  C  CA  . ARG A 1 87  ? -36.748 -15.701 -34.391 1.00 14.23 ? 93  ARG B CA  1 
ATOM   751  C  C   . ARG A 1 87  ? -38.261 -15.484 -34.239 1.00 15.84 ? 93  ARG B C   1 
ATOM   752  O  O   . ARG A 1 87  ? -38.610 -14.479 -33.613 1.00 15.76 ? 93  ARG B O   1 
ATOM   753  C  CB  . ARG A 1 87  ? -36.219 -14.878 -35.569 1.00 15.04 ? 93  ARG B CB  1 
ATOM   754  C  CG  . ARG A 1 87  ? -34.734 -15.058 -35.879 1.00 15.06 ? 93  ARG B CG  1 
ATOM   755  C  CD  . ARG A 1 87  ? -33.837 -14.871 -34.669 1.00 16.90 ? 93  ARG B CD  1 
ATOM   756  N  NE  . ARG A 1 87  ? -32.462 -15.303 -35.008 1.00 18.02 ? 93  ARG B NE  1 
ATOM   757  C  CZ  . ARG A 1 87  ? -31.558 -14.593 -35.642 1.00 18.19 ? 93  ARG B CZ  1 
ATOM   758  N  NH1 . ARG A 1 87  ? -31.799 -13.346 -35.986 1.00 18.97 ? 93  ARG B NH1 1 
ATOM   759  N  NH2 . ARG A 1 87  ? -30.398 -15.144 -35.939 1.00 18.86 ? 93  ARG B NH2 1 
ATOM   760  N  N   . LYS A 1 88  ? -39.106 -16.340 -34.822 1.00 16.07 ? 94  LYS B N   1 
ATOM   761  C  CA  . LYS A 1 88  ? -40.561 -16.069 -34.930 1.00 16.23 ? 94  LYS B CA  1 
ATOM   762  C  C   . LYS A 1 88  ? -41.360 -16.978 -34.025 1.00 18.60 ? 94  LYS B C   1 
ATOM   763  O  O   . LYS A 1 88  ? -41.001 -18.173 -33.909 1.00 20.59 ? 94  LYS B O   1 
ATOM   764  C  CB  . LYS A 1 88  ? -40.998 -16.213 -36.390 1.00 17.32 ? 94  LYS B CB  1 
ATOM   765  C  CG  . LYS A 1 88  ? -40.178 -15.460 -37.405 1.00 18.87 ? 94  LYS B CG  1 
ATOM   766  C  CD  . LYS A 1 88  ? -40.116 -13.949 -37.209 1.00 19.26 ? 94  LYS B CD  1 
ATOM   767  C  CE  . LYS A 1 88  ? -39.343 -13.298 -38.326 1.00 19.55 ? 94  LYS B CE  1 
ATOM   768  N  NZ  . LYS A 1 88  ? -39.241 -11.831 -38.139 1.00 20.42 ? 94  LYS B NZ  1 
ATOM   769  N  N   . GLY A 1 89  ? -42.448 -16.465 -33.475 1.00 18.49 ? 95  GLY B N   1 
ATOM   770  C  CA  . GLY A 1 89  ? -43.336 -17.256 -32.622 1.00 19.57 ? 95  GLY B CA  1 
ATOM   771  C  C   . GLY A 1 89  ? -42.858 -17.376 -31.197 1.00 20.30 ? 95  GLY B C   1 
ATOM   772  O  O   . GLY A 1 89  ? -41.859 -16.655 -30.813 1.00 20.40 ? 95  GLY B O   1 
ATOM   773  N  N   . GLN A 1 90  ? -43.486 -18.293 -30.458 1.00 20.34 ? 96  GLN B N   1 
ATOM   774  C  CA  . GLN A 1 90  ? -43.209 -18.531 -29.027 1.00 23.37 ? 96  GLN B CA  1 
ATOM   775  C  C   . GLN A 1 90  ? -42.141 -19.609 -28.888 1.00 20.96 ? 96  GLN B C   1 
ATOM   776  O  O   . GLN A 1 90  ? -42.051 -20.495 -29.747 1.00 21.25 ? 96  GLN B O   1 
ATOM   777  C  CB  . GLN A 1 90  ? -44.520 -18.883 -28.320 1.00 27.21 ? 96  GLN B CB  1 
ATOM   778  C  CG  . GLN A 1 90  ? -45.498 -17.731 -28.423 1.00 34.04 ? 96  GLN B CG  1 
ATOM   779  C  CD  . GLN A 1 90  ? -46.875 -18.100 -27.956 1.00 42.89 ? 96  GLN B CD  1 
ATOM   780  O  OE1 . GLN A 1 90  ? -47.163 -18.038 -26.762 1.00 53.12 ? 96  GLN B OE1 1 
ATOM   781  N  NE2 . GLN A 1 90  ? -47.724 -18.474 -28.908 1.00 47.61 ? 96  GLN B NE2 1 
ATOM   782  N  N   . PHE A 1 91  ? -41.263 -19.439 -27.900 1.00 18.22 ? 97  PHE B N   1 
ATOM   783  C  CA  . PHE A 1 91  ? -40.195 -20.396 -27.546 1.00 18.18 ? 97  PHE B CA  1 
ATOM   784  C  C   . PHE A 1 91  ? -39.697 -20.115 -26.129 1.00 18.39 ? 97  PHE B C   1 
ATOM   785  O  O   . PHE A 1 91  ? -39.830 -19.007 -25.610 1.00 18.76 ? 97  PHE B O   1 
ATOM   786  C  CB  . PHE A 1 91  ? -39.052 -20.327 -28.557 1.00 17.19 ? 97  PHE B CB  1 
ATOM   787  C  CG  . PHE A 1 91  ? -38.452 -18.959 -28.692 1.00 17.09 ? 97  PHE B CG  1 
ATOM   788  C  CD1 . PHE A 1 91  ? -37.432 -18.575 -27.837 1.00 18.10 ? 97  PHE B CD1 1 
ATOM   789  C  CD2 . PHE A 1 91  ? -38.788 -18.115 -29.736 1.00 18.07 ? 97  PHE B CD2 1 
ATOM   790  C  CE1 . PHE A 1 91  ? -36.847 -17.332 -27.965 1.00 17.19 ? 97  PHE B CE1 1 
ATOM   791  C  CE2 . PHE A 1 91  ? -38.169 -16.887 -29.891 1.00 17.67 ? 97  PHE B CE2 1 
ATOM   792  C  CZ  . PHE A 1 91  ? -37.176 -16.516 -29.008 1.00 17.34 ? 97  PHE B CZ  1 
ATOM   793  N  N   A SER A 1 92  ? -39.156 -21.136 -25.471 0.25 19.32 ? 98  SER B N   1 
ATOM   794  N  N   B SER A 1 92  ? -39.117 -21.147 -25.515 0.25 18.21 ? 98  SER B N   1 
ATOM   795  C  CA  A SER A 1 92  ? -38.510 -20.985 -24.144 0.25 19.47 ? 98  SER B CA  1 
ATOM   796  C  CA  B SER A 1 92  ? -38.487 -21.095 -24.173 0.25 17.72 ? 98  SER B CA  1 
ATOM   797  C  C   A SER A 1 92  ? -37.015 -20.750 -24.343 0.25 17.78 ? 98  SER B C   1 
ATOM   798  C  C   B SER A 1 92  ? -36.990 -20.806 -24.325 0.25 16.75 ? 98  SER B C   1 
ATOM   799  O  O   A SER A 1 92  ? -36.450 -21.244 -25.344 0.25 17.65 ? 98  SER B O   1 
ATOM   800  O  O   B SER A 1 92  ? -36.385 -21.320 -25.291 0.25 16.54 ? 98  SER B O   1 
ATOM   801  C  CB  A SER A 1 92  ? -38.730 -22.181 -23.279 0.25 21.99 ? 98  SER B CB  1 
ATOM   802  C  CB  B SER A 1 92  ? -38.710 -22.386 -23.429 0.25 18.60 ? 98  SER B CB  1 
ATOM   803  O  OG  A SER A 1 92  ? -38.539 -23.354 -24.041 0.25 24.81 ? 98  SER B OG  1 
ATOM   804  O  OG  B SER A 1 92  ? -40.091 -22.544 -23.109 0.25 18.60 ? 98  SER B OG  1 
ATOM   805  N  N   . LEU A 1 93  ? -36.421 -20.020 -23.407 1.00 15.82 ? 99  LEU B N   1 
ATOM   806  C  CA  . LEU A 1 93  ? -34.962 -19.849 -23.342 1.00 16.23 ? 99  LEU B CA  1 
ATOM   807  C  C   . LEU A 1 93  ? -34.368 -21.068 -22.648 1.00 16.78 ? 99  LEU B C   1 
ATOM   808  O  O   . LEU A 1 93  ? -34.444 -21.193 -21.434 1.00 18.68 ? 99  LEU B O   1 
ATOM   809  C  CB  . LEU A 1 93  ? -34.616 -18.557 -22.612 1.00 16.61 ? 99  LEU B CB  1 
ATOM   810  C  CG  . LEU A 1 93  ? -35.070 -17.269 -23.271 1.00 17.75 ? 99  LEU B CG  1 
ATOM   811  C  CD1 . LEU A 1 93  ? -34.750 -16.081 -22.377 1.00 18.98 ? 99  LEU B CD1 1 
ATOM   812  C  CD2 . LEU A 1 93  ? -34.509 -17.061 -24.671 1.00 18.74 ? 99  LEU B CD2 1 
ATOM   813  N  N   . SER A 1 94  ? -33.716 -21.963 -23.391 1.00 15.46 ? 100 SER B N   1 
ATOM   814  C  CA  . SER A 1 94  ? -33.103 -23.198 -22.859 1.00 14.39 ? 100 SER B CA  1 
ATOM   815  C  C   . SER A 1 94  ? -31.903 -23.543 -23.715 1.00 13.48 ? 100 SER B C   1 
ATOM   816  O  O   . SER A 1 94  ? -31.929 -23.210 -24.918 1.00 13.13 ? 100 SER B O   1 
ATOM   817  C  CB  . SER A 1 94  ? -34.043 -24.373 -22.857 1.00 16.23 ? 100 SER B CB  1 
ATOM   818  O  OG  . SER A 1 94  ? -34.431 -24.711 -24.181 1.00 20.24 ? 100 SER B OG  1 
ATOM   819  N  N   . PRO A 1 95  ? -30.957 -24.314 -23.203 1.00 13.76 ? 101 PRO B N   1 
ATOM   820  C  CA  . PRO A 1 95  ? -29.865 -24.803 -24.038 1.00 15.02 ? 101 PRO B CA  1 
ATOM   821  C  C   . PRO A 1 95  ? -30.354 -25.699 -25.189 1.00 14.16 ? 101 PRO B C   1 
ATOM   822  O  O   . PRO A 1 95  ? -29.771 -25.597 -26.313 1.00 14.82 ? 101 PRO B O   1 
ATOM   823  C  CB  . PRO A 1 95  ? -28.963 -25.547 -23.050 1.00 15.44 ? 101 PRO B CB  1 
ATOM   824  C  CG  . PRO A 1 95  ? -29.227 -24.846 -21.720 1.00 15.11 ? 101 PRO B CG  1 
ATOM   825  C  CD  . PRO A 1 95  ? -30.711 -24.571 -21.773 1.00 13.96 ? 101 PRO B CD  1 
ATOM   826  N  N   . GLU A 1 96  ? -31.442 -26.454 -24.986 1.00 16.38 ? 102 GLU B N   1 
ATOM   827  C  CA  . GLU A 1 96  ? -32.026 -27.303 -26.076 1.00 20.12 ? 102 GLU B CA  1 
ATOM   828  C  C   . GLU A 1 96  ? -32.454 -26.412 -27.248 1.00 18.69 ? 102 GLU B C   1 
ATOM   829  O  O   . GLU A 1 96  ? -32.322 -26.815 -28.444 1.00 19.29 ? 102 GLU B O   1 
ATOM   830  C  CB  . GLU A 1 96  ? -33.184 -28.153 -25.559 1.00 24.40 ? 102 GLU B CB  1 
ATOM   831  C  CG  . GLU A 1 96  ? -32.788 -28.975 -24.353 1.00 34.32 ? 102 GLU B CG  1 
ATOM   832  C  CD  . GLU A 1 96  ? -33.226 -28.426 -22.999 1.00 41.76 ? 102 GLU B CD  1 
ATOM   833  O  OE1 . GLU A 1 96  ? -32.452 -27.596 -22.371 1.00 28.90 ? 102 GLU B OE1 1 
ATOM   834  O  OE2 . GLU A 1 96  ? -34.341 -28.866 -22.550 1.00 46.32 ? 102 GLU B OE2 1 
ATOM   835  N  N   . ASN A 1 97  ? -32.893 -25.174 -26.998 1.00 16.30 ? 103 ASN B N   1 
ATOM   836  C  CA  . ASN A 1 97  ? -33.281 -24.224 -28.071 1.00 15.51 ? 103 ASN B CA  1 
ATOM   837  C  C   . ASN A 1 97  ? -32.125 -23.297 -28.491 1.00 14.86 ? 103 ASN B C   1 
ATOM   838  O  O   . ASN A 1 97  ? -32.336 -22.454 -29.356 1.00 15.78 ? 103 ASN B O   1 
ATOM   839  C  CB  . ASN A 1 97  ? -34.506 -23.398 -27.647 1.00 17.14 ? 103 ASN B CB  1 
ATOM   840  C  CG  . ASN A 1 97  ? -35.797 -24.177 -27.613 1.00 19.52 ? 103 ASN B CG  1 
ATOM   841  O  OD1 . ASN A 1 97  ? -35.904 -25.247 -28.249 1.00 21.11 ? 103 ASN B OD1 1 
ATOM   842  N  ND2 . ASN A 1 97  ? -36.745 -23.711 -26.801 1.00 21.04 ? 103 ASN B ND2 1 
ATOM   843  N  N   . GLY A 1 98  ? -30.919 -23.476 -27.949 1.00 13.28 ? 104 GLY B N   1 
ATOM   844  C  CA  . GLY A 1 98  ? -29.731 -22.717 -28.327 1.00 12.90 ? 104 GLY B CA  1 
ATOM   845  C  C   . GLY A 1 98  ? -29.503 -21.443 -27.554 1.00 12.23 ? 104 GLY B C   1 
ATOM   846  O  O   . GLY A 1 98  ? -28.844 -20.561 -28.087 1.00 12.58 ? 104 GLY B O   1 
ATOM   847  N  N   . PHE A 1 99  ? -29.957 -21.382 -26.284 1.00 12.74 ? 105 PHE B N   1 
ATOM   848  C  CA  . PHE A 1 99  ? -29.768 -20.162 -25.455 1.00 12.26 ? 105 PHE B CA  1 
ATOM   849  C  C   . PHE A 1 99  ? -29.089 -20.512 -24.129 1.00 12.10 ? 105 PHE B C   1 
ATOM   850  O  O   . PHE A 1 99  ? -29.502 -21.558 -23.497 1.00 12.99 ? 105 PHE B O   1 
ATOM   851  C  CB  . PHE A 1 99  ? -31.126 -19.514 -25.092 1.00 12.58 ? 105 PHE B CB  1 
ATOM   852  C  CG  . PHE A 1 99  ? -31.905 -19.025 -26.291 1.00 12.16 ? 105 PHE B CG  1 
ATOM   853  C  CD1 . PHE A 1 99  ? -32.801 -19.849 -26.931 1.00 12.77 ? 105 PHE B CD1 1 
ATOM   854  C  CD2 . PHE A 1 99  ? -31.777 -17.713 -26.716 1.00 11.79 ? 105 PHE B CD2 1 
ATOM   855  C  CE1 . PHE A 1 99  ? -33.510 -19.402 -28.036 1.00 13.10 ? 105 PHE B CE1 1 
ATOM   856  C  CE2 . PHE A 1 99  ? -32.495 -17.263 -27.807 1.00 13.80 ? 105 PHE B CE2 1 
ATOM   857  C  CZ  . PHE A 1 99  ? -33.397 -18.095 -28.415 1.00 12.76 ? 105 PHE B CZ  1 
ATOM   858  N  N   . TRP A 1 100 ? -28.116 -19.704 -23.685 1.00 11.02 ? 106 TRP B N   1 
ATOM   859  C  CA  . TRP A 1 100 ? -27.431 -19.833 -22.374 1.00 10.39 ? 106 TRP B CA  1 
ATOM   860  C  C   . TRP A 1 100 ? -27.577 -18.481 -21.682 1.00 10.16 ? 106 TRP B C   1 
ATOM   861  O  O   . TRP A 1 100 ? -26.854 -17.508 -22.029 1.00 11.08 ? 106 TRP B O   1 
ATOM   862  C  CB  . TRP A 1 100 ? -25.963 -20.267 -22.559 1.00 9.92  ? 106 TRP B CB  1 
ATOM   863  C  CG  . TRP A 1 100 ? -25.893 -21.642 -23.160 1.00 10.23 ? 106 TRP B CG  1 
ATOM   864  C  CD1 . TRP A 1 100 ? -25.801 -22.839 -22.511 1.00 12.04 ? 106 TRP B CD1 1 
ATOM   865  C  CD2 . TRP A 1 100 ? -25.911 -21.958 -24.572 1.00 11.33 ? 106 TRP B CD2 1 
ATOM   866  N  NE1 . TRP A 1 100 ? -25.833 -23.873 -23.419 1.00 12.55 ? 106 TRP B NE1 1 
ATOM   867  C  CE2 . TRP A 1 100 ? -25.893 -23.370 -24.680 1.00 12.76 ? 106 TRP B CE2 1 
ATOM   868  C  CE3 . TRP A 1 100 ? -25.965 -21.177 -25.729 1.00 12.23 ? 106 TRP B CE3 1 
ATOM   869  C  CZ2 . TRP A 1 100 ? -25.935 -24.004 -25.932 1.00 13.48 ? 106 TRP B CZ2 1 
ATOM   870  C  CZ3 . TRP A 1 100 ? -26.000 -21.816 -26.955 1.00 12.95 ? 106 TRP B CZ3 1 
ATOM   871  C  CH2 . TRP A 1 100 ? -26.028 -23.202 -27.039 1.00 13.09 ? 106 TRP B CH2 1 
ATOM   872  N  N   . THR A 1 101 ? -28.613 -18.392 -20.825 1.00 11.21 ? 107 THR B N   1 
ATOM   873  C  CA  . THR A 1 101 ? -29.099 -17.068 -20.350 1.00 10.82 ? 107 THR B CA  1 
ATOM   874  C  C   . THR A 1 101 ? -29.447 -17.114 -18.851 1.00 10.35 ? 107 THR B C   1 
ATOM   875  O  O   . THR A 1 101 ? -29.703 -18.192 -18.310 1.00 10.78 ? 107 THR B O   1 
ATOM   876  C  CB  . THR A 1 101 ? -30.346 -16.611 -21.105 1.00 11.92 ? 107 THR B CB  1 
ATOM   877  O  OG1 . THR A 1 101 ? -31.409 -17.530 -20.905 1.00 12.88 ? 107 THR B OG1 1 
ATOM   878  C  CG2 . THR A 1 101 ? -30.066 -16.465 -22.589 1.00 12.07 ? 107 THR B CG2 1 
ATOM   879  N  N   . ILE A 1 102 ? -29.485 -15.930 -18.264 1.00 11.07 ? 108 ILE B N   1 
ATOM   880  C  CA  . ILE A 1 102 ? -30.107 -15.723 -16.915 1.00 11.27 ? 108 ILE B CA  1 
ATOM   881  C  C   . ILE A 1 102 ? -31.126 -14.590 -17.094 1.00 11.88 ? 108 ILE B C   1 
ATOM   882  O  O   . ILE A 1 102 ? -31.072 -13.838 -18.119 1.00 11.73 ? 108 ILE B O   1 
ATOM   883  C  CB  . ILE A 1 102 ? -29.086 -15.410 -15.802 1.00 12.55 ? 108 ILE B CB  1 
ATOM   884  C  CG1 . ILE A 1 102 ? -28.424 -14.047 -15.983 1.00 12.79 ? 108 ILE B CG1 1 
ATOM   885  C  CG2 . ILE A 1 102 ? -28.087 -16.538 -15.699 1.00 13.25 ? 108 ILE B CG2 1 
ATOM   886  C  CD1 . ILE A 1 102 ? -27.585 -13.610 -14.774 1.00 12.81 ? 108 ILE B CD1 1 
ATOM   887  N  N   . TRP A 1 103 ? -31.988 -14.453 -16.112 1.00 12.34 ? 109 TRP B N   1 
ATOM   888  C  CA  . TRP A 1 103 ? -33.005 -13.389 -16.171 1.00 12.60 ? 109 TRP B CA  1 
ATOM   889  C  C   . TRP A 1 103 ? -33.435 -12.946 -14.802 1.00 12.22 ? 109 TRP B C   1 
ATOM   890  O  O   . TRP A 1 103 ? -33.257 -13.625 -13.797 1.00 12.62 ? 109 TRP B O   1 
ATOM   891  C  CB  . TRP A 1 103 ? -34.194 -13.772 -17.000 1.00 15.56 ? 109 TRP B CB  1 
ATOM   892  C  CG  . TRP A 1 103 ? -34.966 -14.929 -16.493 1.00 17.05 ? 109 TRP B CG  1 
ATOM   893  C  CD1 . TRP A 1 103 ? -35.862 -14.903 -15.464 1.00 17.79 ? 109 TRP B CD1 1 
ATOM   894  C  CD2 . TRP A 1 103 ? -35.076 -16.210 -17.115 1.00 18.00 ? 109 TRP B CD2 1 
ATOM   895  N  NE1 . TRP A 1 103 ? -36.516 -16.085 -15.388 1.00 20.96 ? 109 TRP B NE1 1 
ATOM   896  C  CE2 . TRP A 1 103 ? -36.101 -16.883 -16.415 1.00 18.69 ? 109 TRP B CE2 1 
ATOM   897  C  CE3 . TRP A 1 103 ? -34.508 -16.790 -18.251 1.00 19.16 ? 109 TRP B CE3 1 
ATOM   898  C  CZ2 . TRP A 1 103 ? -36.453 -18.193 -16.713 1.00 21.04 ? 109 TRP B CZ2 1 
ATOM   899  C  CZ3 . TRP A 1 103 ? -34.905 -18.062 -18.568 1.00 20.05 ? 109 TRP B CZ3 1 
ATOM   900  C  CH2 . TRP A 1 103 ? -35.877 -18.725 -17.841 1.00 19.29 ? 109 TRP B CH2 1 
ATOM   901  N  N   . LEU A 1 104 ? -34.011 -11.721 -14.806 1.00 13.34 ? 110 LEU B N   1 
ATOM   902  C  CA  . LEU A 1 104 ? -34.794 -11.188 -13.689 1.00 12.64 ? 110 LEU B CA  1 
ATOM   903  C  C   . LEU A 1 104 ? -36.270 -11.149 -14.083 1.00 12.03 ? 110 LEU B C   1 
ATOM   904  O  O   . LEU A 1 104 ? -36.580 -10.692 -15.196 1.00 12.78 ? 110 LEU B O   1 
ATOM   905  C  CB  . LEU A 1 104 ? -34.332 -9.766  -13.384 1.00 13.45 ? 110 LEU B CB  1 
ATOM   906  C  CG  . LEU A 1 104 ? -35.159 -8.990  -12.353 1.00 13.01 ? 110 LEU B CG  1 
ATOM   907  C  CD1 . LEU A 1 104 ? -35.181 -9.646  -10.985 1.00 13.90 ? 110 LEU B CD1 1 
ATOM   908  C  CD2 . LEU A 1 104 ? -34.698 -7.551  -12.257 1.00 15.04 ? 110 LEU B CD2 1 
ATOM   909  N  N   . TRP A 1 105 ? -37.142 -11.598 -13.184 1.00 13.09 ? 111 TRP B N   1 
ATOM   910  C  CA  . TRP A 1 105 ? -38.592 -11.595 -13.428 1.00 13.95 ? 111 TRP B CA  1 
ATOM   911  C  C   . TRP A 1 105 ? -39.297 -11.624 -12.079 1.00 16.62 ? 111 TRP B C   1 
ATOM   912  O  O   . TRP A 1 105 ? -38.995 -12.535 -11.279 1.00 16.16 ? 111 TRP B O   1 
ATOM   913  C  CB  . TRP A 1 105 ? -38.956 -12.821 -14.275 1.00 17.97 ? 111 TRP B CB  1 
ATOM   914  C  CG  . TRP A 1 105 ? -40.414 -13.012 -14.425 1.00 21.13 ? 111 TRP B CG  1 
ATOM   915  C  CD1 . TRP A 1 105 ? -41.203 -13.989 -13.876 1.00 22.20 ? 111 TRP B CD1 1 
ATOM   916  C  CD2 . TRP A 1 105 ? -41.249 -12.184 -15.226 1.00 21.53 ? 111 TRP B CD2 1 
ATOM   917  N  NE1 . TRP A 1 105 ? -42.490 -13.806 -14.295 1.00 22.72 ? 111 TRP B NE1 1 
ATOM   918  C  CE2 . TRP A 1 105 ? -42.546 -12.719 -15.120 1.00 20.72 ? 111 TRP B CE2 1 
ATOM   919  C  CE3 . TRP A 1 105 ? -41.032 -11.064 -16.025 1.00 22.12 ? 111 TRP B CE3 1 
ATOM   920  C  CZ2 . TRP A 1 105 ? -43.631 -12.163 -15.783 1.00 27.17 ? 111 TRP B CZ2 1 
ATOM   921  C  CZ3 . TRP A 1 105 ? -42.107 -10.504 -16.674 1.00 26.94 ? 111 TRP B CZ3 1 
ATOM   922  C  CH2 . TRP A 1 105 ? -43.391 -11.029 -16.527 1.00 25.97 ? 111 TRP B CH2 1 
ATOM   923  N  N   . GLN A 1 106 ? -40.171 -10.632 -11.809 1.00 15.96 ? 112 GLN B N   1 
ATOM   924  C  CA  . GLN A 1 106 ? -40.984 -10.659 -10.558 1.00 16.17 ? 112 GLN B CA  1 
ATOM   925  C  C   . GLN A 1 106 ? -40.106 -10.847 -9.341  1.00 17.68 ? 112 GLN B C   1 
ATOM   926  O  O   . GLN A 1 106 ? -40.442 -11.728 -8.459  1.00 19.05 ? 112 GLN B O   1 
ATOM   927  C  CB  . GLN A 1 106 ? -42.098 -11.703 -10.687 1.00 18.71 ? 112 GLN B CB  1 
ATOM   928  C  CG  . GLN A 1 106 ? -43.026 -11.385 -11.865 1.00 19.22 ? 112 GLN B CG  1 
ATOM   929  C  CD  . GLN A 1 106 ? -44.309 -12.180 -11.899 1.00 22.21 ? 112 GLN B CD  1 
ATOM   930  O  OE1 . GLN A 1 106 ? -45.277 -11.831 -12.618 1.00 25.13 ? 112 GLN B OE1 1 
ATOM   931  N  NE2 . GLN A 1 106 ? -44.328 -13.263 -11.141 1.00 18.93 ? 112 GLN B NE2 1 
ATOM   932  N  N   . ASP A 1 107 ? -39.063 -10.034 -9.220  1.00 17.98 ? 113 ASP B N   1 
ATOM   933  C  CA  . ASP A 1 107 ? -38.242 -9.935  -8.005  1.00 23.19 ? 113 ASP B CA  1 
ATOM   934  C  C   . ASP A 1 107 ? -37.473 -11.240 -7.737  1.00 22.69 ? 113 ASP B C   1 
ATOM   935  O  O   . ASP A 1 107 ? -36.943 -11.359 -6.621  1.00 28.79 ? 113 ASP B O   1 
ATOM   936  C  CB  . ASP A 1 107 ? -39.192 -9.656  -6.832  1.00 28.00 ? 113 ASP B CB  1 
ATOM   937  C  CG  . ASP A 1 107 ? -38.564 -8.978  -5.655  1.00 36.01 ? 113 ASP B CG  1 
ATOM   938  O  OD1 . ASP A 1 107 ? -37.587 -8.228  -5.852  1.00 41.17 ? 113 ASP B OD1 1 
ATOM   939  O  OD2 . ASP A 1 107 ? -39.105 -9.177  -4.538  1.00 52.55 ? 113 ASP B OD2 1 
ATOM   940  N  N   . SER A 1 108 ? -37.340 -12.135 -8.711  1.00 19.02 ? 114 SER B N   1 
ATOM   941  C  CA  . SER A 1 108 ? -36.445 -13.317 -8.572  1.00 19.56 ? 114 SER B CA  1 
ATOM   942  C  C   . SER A 1 108 ? -35.515 -13.445 -9.788  1.00 16.68 ? 114 SER B C   1 
ATOM   943  O  O   . SER A 1 108 ? -35.897 -13.070 -10.960 1.00 16.03 ? 114 SER B O   1 
ATOM   944  C  CB  . SER A 1 108 ? -37.260 -14.548 -8.241  1.00 24.25 ? 114 SER B CB  1 
ATOM   945  O  OG  . SER A 1 108 ? -37.825 -15.127 -9.387  1.00 34.64 ? 114 SER B OG  1 
ATOM   946  N  N   . TYR A 1 109 ? -34.304 -13.924 -9.538  1.00 14.85 ? 115 TYR B N   1 
ATOM   947  C  CA  . TYR A 1 109 ? -33.302 -14.212 -10.599 1.00 13.57 ? 115 TYR B CA  1 
ATOM   948  C  C   . TYR A 1 109 ? -33.287 -15.716 -10.867 1.00 13.18 ? 115 TYR B C   1 
ATOM   949  O  O   . TYR A 1 109 ? -33.320 -16.508 -9.926  1.00 14.27 ? 115 TYR B O   1 
ATOM   950  C  CB  . TYR A 1 109 ? -31.933 -13.678 -10.211 1.00 13.53 ? 115 TYR B CB  1 
ATOM   951  C  CG  . TYR A 1 109 ? -31.893 -12.182 -9.979  1.00 14.26 ? 115 TYR B CG  1 
ATOM   952  C  CD1 . TYR A 1 109 ? -32.129 -11.673 -8.714  1.00 14.92 ? 115 TYR B CD1 1 
ATOM   953  C  CD2 . TYR A 1 109 ? -31.498 -11.319 -10.984 1.00 13.09 ? 115 TYR B CD2 1 
ATOM   954  C  CE1 . TYR A 1 109 ? -32.055 -10.306 -8.478  1.00 16.11 ? 115 TYR B CE1 1 
ATOM   955  C  CE2 . TYR A 1 109 ? -31.444 -9.950  -10.769 1.00 13.63 ? 115 TYR B CE2 1 
ATOM   956  C  CZ  . TYR A 1 109 ? -31.702 -9.461  -9.498  1.00 15.28 ? 115 TYR B CZ  1 
ATOM   957  O  OH  . TYR A 1 109 ? -31.693 -8.106  -9.244  1.00 16.42 ? 115 TYR B OH  1 
ATOM   958  N  N   A GLU A 1 110 ? -33.257 -16.113 -12.146 0.25 13.79 ? 116 GLU B N   1 
ATOM   959  N  N   B GLU A 1 110 ? -33.277 -16.098 -12.151 0.25 13.49 ? 116 GLU B N   1 
ATOM   960  C  CA  A GLU A 1 110 ? -33.262 -17.550 -12.544 0.25 14.22 ? 116 GLU B CA  1 
ATOM   961  C  CA  B GLU A 1 110 ? -33.297 -17.518 -12.601 0.25 13.74 ? 116 GLU B CA  1 
ATOM   962  C  C   A GLU A 1 110 ? -32.339 -17.793 -13.745 0.25 13.35 ? 116 GLU B C   1 
ATOM   963  C  C   B GLU A 1 110 ? -32.213 -17.732 -13.668 0.25 12.93 ? 116 GLU B C   1 
ATOM   964  O  O   A GLU A 1 110 ? -32.265 -16.942 -14.643 0.25 12.98 ? 116 GLU B O   1 
ATOM   965  O  O   B GLU A 1 110 ? -31.847 -16.754 -14.360 0.25 12.47 ? 116 GLU B O   1 
ATOM   966  C  CB  A GLU A 1 110 ? -34.675 -18.026 -12.868 0.25 15.92 ? 116 GLU B CB  1 
ATOM   967  C  CB  B GLU A 1 110 ? -34.677 -17.893 -13.142 0.25 15.08 ? 116 GLU B CB  1 
ATOM   968  C  CG  A GLU A 1 110 ? -35.605 -18.028 -11.657 0.25 17.90 ? 116 GLU B CG  1 
ATOM   969  C  CG  B GLU A 1 110 ? -35.804 -17.724 -12.124 0.25 17.09 ? 116 GLU B CG  1 
ATOM   970  C  CD  A GLU A 1 110 ? -37.043 -18.356 -12.006 0.25 20.51 ? 116 GLU B CD  1 
ATOM   971  C  CD  B GLU A 1 110 ? -35.970 -18.902 -11.175 0.25 18.22 ? 116 GLU B CD  1 
ATOM   972  O  OE1 A GLU A 1 110 ? -37.456 -18.040 -13.145 0.25 22.33 ? 116 GLU B OE1 1 
ATOM   973  O  OE1 B GLU A 1 110 ? -35.561 -20.022 -11.533 0.25 23.19 ? 116 GLU B OE1 1 
ATOM   974  O  OE2 A GLU A 1 110 ? -37.742 -18.942 -11.151 0.25 20.76 ? 116 GLU B OE2 1 
ATOM   975  O  OE2 B GLU A 1 110 ? -36.557 -18.706 -10.111 0.25 23.35 ? 116 GLU B OE2 1 
ATOM   976  N  N   . ALA A 1 111 ? -31.704 -18.969 -13.786 1.00 12.87 ? 117 ALA B N   1 
ATOM   977  C  CA  . ALA A 1 111 ? -30.939 -19.391 -14.972 1.00 13.58 ? 117 ALA B CA  1 
ATOM   978  C  C   . ALA A 1 111 ? -31.862 -20.147 -15.924 1.00 14.24 ? 117 ALA B C   1 
ATOM   979  O  O   . ALA A 1 111 ? -32.722 -20.968 -15.475 1.00 13.76 ? 117 ALA B O   1 
ATOM   980  C  CB  . ALA A 1 111 ? -29.753 -20.252 -14.567 1.00 14.02 ? 117 ALA B CB  1 
ATOM   981  N  N   . GLY A 1 112 ? -31.706 -19.882 -17.224 1.00 13.32 ? 118 GLY B N   1 
ATOM   982  C  CA  . GLY A 1 112 ? -32.496 -20.462 -18.328 1.00 14.25 ? 118 GLY B CA  1 
ATOM   983  C  C   . GLY A 1 112 ? -32.148 -21.907 -18.614 1.00 14.04 ? 118 GLY B C   1 
ATOM   984  O  O   . GLY A 1 112 ? -31.857 -22.245 -19.743 1.00 15.82 ? 118 GLY B O   1 
ATOM   985  N  N   . THR A 1 113 ? -32.155 -22.757 -17.624 1.00 15.82 ? 119 THR B N   1 
ATOM   986  C  CA  . THR A 1 113 ? -32.142 -24.215 -17.809 1.00 16.77 ? 119 THR B CA  1 
ATOM   987  C  C   . THR A 1 113 ? -33.577 -24.692 -18.064 1.00 16.96 ? 119 THR B C   1 
ATOM   988  O  O   . THR A 1 113 ? -34.503 -23.919 -17.893 1.00 20.11 ? 119 THR B O   1 
ATOM   989  C  CB  . THR A 1 113 ? -31.515 -24.827 -16.565 1.00 14.51 ? 119 THR B CB  1 
ATOM   990  O  OG1 . THR A 1 113 ? -32.197 -24.372 -15.391 1.00 15.13 ? 119 THR B OG1 1 
ATOM   991  C  CG2 . THR A 1 113 ? -30.047 -24.573 -16.378 1.00 17.17 ? 119 THR B CG2 1 
ATOM   992  N  N   . SER A 1 114 ? -33.758 -25.978 -18.377 1.00 20.20 ? 120 SER B N   1 
ATOM   993  C  CA  . SER A 1 114 ? -35.103 -26.564 -18.564 1.00 24.25 ? 120 SER B CA  1 
ATOM   994  C  C   . SER A 1 114 ? -35.274 -27.754 -17.618 1.00 25.01 ? 120 SER B C   1 
ATOM   995  O  O   . SER A 1 114 ? -34.629 -28.793 -17.790 1.00 27.85 ? 120 SER B O   1 
ATOM   996  C  CB  . SER A 1 114 ? -35.325 -26.956 -20.006 1.00 30.31 ? 120 SER B CB  1 
ATOM   997  O  OG  . SER A 1 114 ? -36.687 -27.327 -20.180 1.00 34.18 ? 120 SER B OG  1 
ATOM   998  N  N   . PRO A 1 115 ? -36.024 -27.603 -16.507 1.00 23.86 ? 121 PRO B N   1 
ATOM   999  C  CA  . PRO A 1 115 ? -36.685 -26.359 -16.135 1.00 24.29 ? 121 PRO B CA  1 
ATOM   1000 C  C   . PRO A 1 115 ? -35.708 -25.357 -15.505 1.00 18.75 ? 121 PRO B C   1 
ATOM   1001 O  O   . PRO A 1 115 ? -34.548 -25.691 -15.206 1.00 17.98 ? 121 PRO B O   1 
ATOM   1002 C  CB  . PRO A 1 115 ? -37.720 -26.804 -15.101 1.00 27.15 ? 121 PRO B CB  1 
ATOM   1003 C  CG  . PRO A 1 115 ? -37.027 -27.960 -14.398 1.00 25.70 ? 121 PRO B CG  1 
ATOM   1004 C  CD  . PRO A 1 115 ? -36.227 -28.658 -15.489 1.00 25.65 ? 121 PRO B CD  1 
ATOM   1005 N  N   . GLN A 1 116 ? -36.168 -24.137 -15.321 1.00 19.85 ? 122 GLN B N   1 
ATOM   1006 C  CA  . GLN A 1 116 ? -35.326 -23.016 -14.847 1.00 18.37 ? 122 GLN B CA  1 
ATOM   1007 C  C   . GLN A 1 116 ? -34.816 -23.273 -13.421 1.00 16.95 ? 122 GLN B C   1 
ATOM   1008 O  O   . GLN A 1 116 ? -35.439 -24.006 -12.648 1.00 17.69 ? 122 GLN B O   1 
ATOM   1009 C  CB  . GLN A 1 116 ? -36.032 -21.666 -14.947 1.00 23.32 ? 122 GLN B CB  1 
ATOM   1010 C  CG  . GLN A 1 116 ? -37.126 -21.445 -13.929 1.00 30.76 ? 122 GLN B CG  1 
ATOM   1011 C  CD  . GLN A 1 116 ? -38.452 -21.294 -14.620 1.00 41.93 ? 122 GLN B CD  1 
ATOM   1012 O  OE1 . GLN A 1 116 ? -38.790 -22.048 -15.535 1.00 52.59 ? 122 GLN B OE1 1 
ATOM   1013 N  NE2 . GLN A 1 116 ? -39.216 -20.323 -14.158 1.00 51.88 ? 122 GLN B NE2 1 
ATOM   1014 N  N   . THR A 1 117 ? -33.659 -22.689 -13.127 1.00 14.71 ? 123 THR B N   1 
ATOM   1015 C  CA  . THR A 1 117 ? -32.950 -22.841 -11.854 1.00 13.32 ? 123 THR B CA  1 
ATOM   1016 C  C   . THR A 1 117 ? -32.983 -21.535 -11.077 1.00 13.20 ? 123 THR B C   1 
ATOM   1017 O  O   . THR A 1 117 ? -32.529 -20.498 -11.598 1.00 14.69 ? 123 THR B O   1 
ATOM   1018 C  CB  . THR A 1 117 ? -31.508 -23.309 -12.113 1.00 13.31 ? 123 THR B CB  1 
ATOM   1019 O  OG1 . THR A 1 117 ? -31.593 -24.546 -12.831 1.00 15.34 ? 123 THR B OG1 1 
ATOM   1020 C  CG2 . THR A 1 117 ? -30.757 -23.481 -10.817 1.00 14.72 ? 123 THR B CG2 1 
ATOM   1021 N  N   . THR A 1 118 ? -33.381 -21.597 -9.804  1.00 13.71 ? 124 THR B N   1 
ATOM   1022 C  CA  . THR A 1 118 ? -33.324 -20.457 -8.868  1.00 15.06 ? 124 THR B CA  1 
ATOM   1023 C  C   . THR A 1 118 ? -31.896 -19.993 -8.613  1.00 14.34 ? 124 THR B C   1 
ATOM   1024 O  O   . THR A 1 118 ? -31.006 -20.837 -8.325  1.00 17.51 ? 124 THR B O   1 
ATOM   1025 C  CB  . THR A 1 118 ? -33.949 -20.927 -7.550  1.00 18.12 ? 124 THR B CB  1 
ATOM   1026 O  OG1 . THR A 1 118 ? -35.318 -21.208 -7.811  1.00 21.57 ? 124 THR B OG1 1 
ATOM   1027 C  CG2 . THR A 1 118 ? -33.789 -19.907 -6.452  1.00 21.50 ? 124 THR B CG2 1 
ATOM   1028 N  N   . LEU A 1 119 ? -31.641 -18.694 -8.701  1.00 12.17 ? 125 LEU B N   1 
ATOM   1029 C  CA  . LEU A 1 119 ? -30.312 -18.122 -8.416  1.00 12.79 ? 125 LEU B CA  1 
ATOM   1030 C  C   . LEU A 1 119 ? -30.394 -17.517 -7.000  1.00 14.31 ? 125 LEU B C   1 
ATOM   1031 O  O   . LEU A 1 119 ? -31.522 -17.192 -6.537  1.00 18.53 ? 125 LEU B O   1 
ATOM   1032 C  CB  . LEU A 1 119 ? -29.899 -17.052 -9.444  1.00 12.92 ? 125 LEU B CB  1 
ATOM   1033 C  CG  . LEU A 1 119 ? -29.816 -17.569 -10.890 1.00 13.05 ? 125 LEU B CG  1 
ATOM   1034 C  CD1 . LEU A 1 119 ? -29.587 -16.455 -11.881 1.00 14.33 ? 125 LEU B CD1 1 
ATOM   1035 C  CD2 . LEU A 1 119 ? -28.722 -18.620 -11.020 1.00 14.36 ? 125 LEU B CD2 1 
ATOM   1036 N  N   . HIS A 1 120 ? -29.263 -17.392 -6.346  1.00 14.58 ? 126 HIS B N   1 
ATOM   1037 C  CA  . HIS A 1 120 ? -29.155 -16.928 -4.938  1.00 14.98 ? 126 HIS B CA  1 
ATOM   1038 C  C   . HIS A 1 120 ? -28.320 -15.661 -4.978  1.00 15.94 ? 126 HIS B C   1 
ATOM   1039 O  O   . HIS A 1 120 ? -27.064 -15.751 -5.011  1.00 20.46 ? 126 HIS B O   1 
ATOM   1040 C  CB  . HIS A 1 120 ? -28.521 -18.020 -4.075  1.00 17.29 ? 126 HIS B CB  1 
ATOM   1041 C  CG  . HIS A 1 120 ? -29.300 -19.306 -4.034  1.00 18.74 ? 126 HIS B CG  1 
ATOM   1042 N  ND1 . HIS A 1 120 ? -29.014 -20.405 -4.845  1.00 23.12 ? 126 HIS B ND1 1 
ATOM   1043 C  CD2 . HIS A 1 120 ? -30.395 -19.649 -3.334  1.00 22.02 ? 126 HIS B CD2 1 
ATOM   1044 C  CE1 . HIS A 1 120 ? -29.911 -21.355 -4.620  1.00 23.68 ? 126 HIS B CE1 1 
ATOM   1045 N  NE2 . HIS A 1 120 ? -30.720 -20.945 -3.665  1.00 22.73 ? 126 HIS B NE2 1 
ATOM   1046 N  N   . ILE A 1 121 ? -28.946 -14.510 -5.041  1.00 19.84 ? 127 ILE B N   1 
ATOM   1047 C  CA  . ILE A 1 121 ? -28.243 -13.205 -5.172  1.00 21.88 ? 127 ILE B CA  1 
ATOM   1048 C  C   . ILE A 1 121 ? -28.620 -12.352 -3.932  1.00 21.26 ? 127 ILE B C   1 
ATOM   1049 O  O   . ILE A 1 121 ? -29.818 -12.105 -3.722  1.00 27.22 ? 127 ILE B O   1 
ATOM   1050 C  CB  . ILE A 1 121 ? -28.620 -12.558 -6.520  1.00 24.39 ? 127 ILE B CB  1 
ATOM   1051 C  CG1 . ILE A 1 121 ? -28.242 -13.463 -7.707  1.00 22.33 ? 127 ILE B CG1 1 
ATOM   1052 C  CG2 . ILE A 1 121 ? -27.959 -11.189 -6.609  1.00 29.84 ? 127 ILE B CG2 1 
ATOM   1053 C  CD1 . ILE A 1 121 ? -28.328 -12.788 -9.065  1.00 23.50 ? 127 ILE B CD1 1 
ATOM   1054 N  N   . GLN A 1 122 ? -27.640 -12.014 -3.113  1.00 27.04 ? 128 GLN B N   1 
ATOM   1055 C  CA  . GLN A 1 122 ? -27.854 -11.207 -1.877  1.00 28.62 ? 128 GLN B CA  1 
ATOM   1056 C  C   . GLN A 1 122 ? -27.855 -9.714  -2.242  1.00 26.32 ? 128 GLN B C   1 
ATOM   1057 O  O   . GLN A 1 122 ? -28.649 -8.956  -1.629  1.00 26.58 ? 128 GLN B O   1 
ATOM   1058 C  CB  . GLN A 1 122 ? -26.760 -11.566 -0.861  1.00 32.57 ? 128 GLN B CB  1 
ATOM   1059 C  CG  . GLN A 1 122 ? -26.853 -10.807 0.466   1.00 42.57 ? 128 GLN B CG  1 
ATOM   1060 C  CD  . GLN A 1 122 ? -28.168 -11.009 1.191   1.00 47.12 ? 128 GLN B CD  1 
ATOM   1061 O  OE1 . GLN A 1 122 ? -28.948 -11.910 0.883   1.00 52.65 ? 128 GLN B OE1 1 
ATOM   1062 N  NE2 . GLN A 1 122 ? -28.444 -10.139 2.150   1.00 50.52 ? 128 GLN B NE2 1 
ATOM   1063 N  N   . VAL A 1 123 ? -27.053 -9.332  -3.235  1.00 22.47 ? 129 VAL B N   1 
ATOM   1064 C  CA  . VAL A 1 123 ? -26.871 -7.904  -3.664  1.00 20.33 ? 129 VAL B CA  1 
ATOM   1065 C  C   . VAL A 1 123 ? -27.425 -7.728  -5.078  1.00 20.93 ? 129 VAL B C   1 
ATOM   1066 O  O   . VAL A 1 123 ? -26.813 -8.228  -6.018  1.00 20.39 ? 129 VAL B O   1 
ATOM   1067 C  CB  . VAL A 1 123 ? -25.395 -7.489  -3.613  1.00 21.80 ? 129 VAL B CB  1 
ATOM   1068 C  CG1 . VAL A 1 123 ? -25.179 -6.058  -4.102  1.00 22.71 ? 129 VAL B CG1 1 
ATOM   1069 C  CG2 . VAL A 1 123 ? -24.811 -7.634  -2.210  1.00 24.98 ? 129 VAL B CG2 1 
ATOM   1070 N  N   . PRO A 1 124 ? -28.646 -7.163  -5.263  1.00 19.73 ? 130 PRO B N   1 
ATOM   1071 C  CA  . PRO A 1 124 ? -29.244 -7.025  -6.598  1.00 19.73 ? 130 PRO B CA  1 
ATOM   1072 C  C   . PRO A 1 124 ? -28.231 -6.362  -7.511  1.00 19.16 ? 130 PRO B C   1 
ATOM   1073 O  O   . PRO A 1 124 ? -27.744 -5.298  -7.202  1.00 19.63 ? 130 PRO B O   1 
ATOM   1074 C  CB  . PRO A 1 124 ? -30.500 -6.175  -6.290  1.00 23.16 ? 130 PRO B CB  1 
ATOM   1075 C  CG  . PRO A 1 124 ? -30.874 -6.642  -4.877  1.00 23.37 ? 130 PRO B CG  1 
ATOM   1076 C  CD  . PRO A 1 124 ? -29.553 -6.703  -4.195  1.00 24.39 ? 130 PRO B CD  1 
ATOM   1077 N  N   . PRO A 1 125 ? -27.854 -6.972  -8.651  1.00 17.45 ? 131 PRO B N   1 
ATOM   1078 C  CA  . PRO A 1 125 ? -26.847 -6.411  -9.545  1.00 16.81 ? 131 PRO B CA  1 
ATOM   1079 C  C   . PRO A 1 125 ? -27.322 -5.186  -10.330 1.00 15.87 ? 131 PRO B C   1 
ATOM   1080 O  O   . PRO A 1 125 ? -28.460 -5.211  -10.786 1.00 16.45 ? 131 PRO B O   1 
ATOM   1081 C  CB  . PRO A 1 125 ? -26.468 -7.578  -10.479 1.00 18.18 ? 131 PRO B CB  1 
ATOM   1082 C  CG  . PRO A 1 125 ? -27.557 -8.576  -10.327 1.00 19.11 ? 131 PRO B CG  1 
ATOM   1083 C  CD  . PRO A 1 125 ? -28.196 -8.369  -8.985  1.00 16.99 ? 131 PRO B CD  1 
ATOM   1084 N  N   . CYS A 1 126 ? -26.482 -4.158  -10.423 1.00 16.64 ? 132 CYS B N   1 
ATOM   1085 C  CA  . CYS A 1 126 ? -26.668 -3.043  -11.383 1.00 17.09 ? 132 CYS B CA  1 
ATOM   1086 C  C   . CYS A 1 126 ? -25.897 -3.324  -12.682 1.00 16.07 ? 132 CYS B C   1 
ATOM   1087 O  O   . CYS A 1 126 ? -26.232 -2.758  -13.708 1.00 14.49 ? 132 CYS B O   1 
ATOM   1088 C  CB  . CYS A 1 126 ? -26.246 -1.709  -10.807 1.00 20.61 ? 132 CYS B CB  1 
ATOM   1089 S  SG  . CYS A 1 126 ? -27.276 -1.301  -9.374  1.00 28.38 ? 132 CYS B SG  1 
ATOM   1090 N  N   A GLN A 1 127 ? -24.838 -4.151  -12.639 0.25 16.00 ? 133 GLN B N   1 
ATOM   1091 N  N   B GLN A 1 127 ? -24.899 -4.215  -12.620 0.25 16.48 ? 133 GLN B N   1 
ATOM   1092 C  CA  A GLN A 1 127 ? -24.076 -4.562  -13.855 0.25 16.29 ? 133 GLN B CA  1 
ATOM   1093 C  CA  B GLN A 1 127 ? -24.065 -4.593  -13.788 0.25 17.31 ? 133 GLN B CA  1 
ATOM   1094 C  C   A GLN A 1 127 ? -23.724 -6.051  -13.746 0.25 15.47 ? 133 GLN B C   1 
ATOM   1095 C  C   B GLN A 1 127 ? -23.792 -6.097  -13.717 0.25 16.08 ? 133 GLN B C   1 
ATOM   1096 O  O   A GLN A 1 127 ? -23.372 -6.510  -12.634 0.25 14.83 ? 133 GLN B O   1 
ATOM   1097 O  O   B GLN A 1 127 ? -23.620 -6.629  -12.595 0.25 15.25 ? 133 GLN B O   1 
ATOM   1098 C  CB  A GLN A 1 127 ? -22.780 -3.774  -14.091 0.25 17.74 ? 133 GLN B CB  1 
ATOM   1099 C  CB  B GLN A 1 127 ? -22.761 -3.792  -13.838 0.25 19.83 ? 133 GLN B CB  1 
ATOM   1100 C  CG  A GLN A 1 127 ? -22.963 -2.284  -14.350 0.25 18.90 ? 133 GLN B CG  1 
ATOM   1101 C  CG  B GLN A 1 127 ? -22.975 -2.288  -13.881 0.25 21.82 ? 133 GLN B CG  1 
ATOM   1102 C  CD  A GLN A 1 127 ? -22.929 -1.509  -13.056 0.25 20.84 ? 133 GLN B CD  1 
ATOM   1103 C  CD  B GLN A 1 127 ? -21.742 -1.532  -14.308 0.25 23.46 ? 133 GLN B CD  1 
ATOM   1104 O  OE1 A GLN A 1 127 ? -22.234 -1.880  -12.113 0.25 20.99 ? 133 GLN B OE1 1 
ATOM   1105 O  OE1 B GLN A 1 127 ? -20.689 -2.104  -14.589 0.25 27.88 ? 133 GLN B OE1 1 
ATOM   1106 N  NE2 A GLN A 1 127 ? -23.703 -0.432  -12.997 0.25 20.91 ? 133 GLN B NE2 1 
ATOM   1107 N  NE2 B GLN A 1 127 ? -21.877 -0.223  -14.382 0.25 25.79 ? 133 GLN B NE2 1 
ATOM   1108 N  N   . ILE A 1 128 ? -23.846 -6.748  -14.878 1.00 14.78 ? 134 ILE B N   1 
ATOM   1109 C  CA  . ILE A 1 128 ? -23.664 -8.218  -15.012 1.00 13.71 ? 134 ILE B CA  1 
ATOM   1110 C  C   . ILE A 1 128 ? -22.448 -8.389  -15.921 1.00 15.14 ? 134 ILE B C   1 
ATOM   1111 O  O   . ILE A 1 128 ? -22.386 -7.795  -17.053 1.00 14.04 ? 134 ILE B O   1 
ATOM   1112 C  CB  . ILE A 1 128 ? -24.917 -8.850  -15.611 1.00 14.72 ? 134 ILE B CB  1 
ATOM   1113 C  CG1 . ILE A 1 128 ? -26.192 -8.655  -14.778 1.00 17.05 ? 134 ILE B CG1 1 
ATOM   1114 C  CG2 . ILE A 1 128 ? -24.667 -10.324 -15.913 1.00 14.49 ? 134 ILE B CG2 1 
ATOM   1115 C  CD1 . ILE A 1 128 ? -26.231 -9.429  -13.547 1.00 17.33 ? 134 ILE B CD1 1 
ATOM   1116 N  N   . GLY A 1 129 ? -21.499 -9.241  -15.526 1.00 15.41 ? 135 GLY B N   1 
ATOM   1117 C  CA  . GLY A 1 129 ? -20.426 -9.676  -16.427 1.00 14.61 ? 135 GLY B CA  1 
ATOM   1118 C  C   . GLY A 1 129 ? -20.721 -11.044 -17.005 1.00 13.59 ? 135 GLY B C   1 
ATOM   1119 O  O   . GLY A 1 129 ? -21.280 -11.902 -16.313 1.00 14.06 ? 135 GLY B O   1 
ATOM   1120 N  N   . ILE A 1 130 ? -20.484 -11.186 -18.308 1.00 13.42 ? 136 ILE B N   1 
ATOM   1121 C  CA  . ILE A 1 130 ? -20.723 -12.457 -19.044 1.00 13.50 ? 136 ILE B CA  1 
ATOM   1122 C  C   . ILE A 1 130 ? -19.388 -12.933 -19.612 1.00 14.32 ? 136 ILE B C   1 
ATOM   1123 O  O   . ILE A 1 130 ? -18.742 -12.192 -20.339 1.00 13.62 ? 136 ILE B O   1 
ATOM   1124 C  CB  . ILE A 1 130 ? -21.753 -12.229 -20.171 1.00 15.05 ? 136 ILE B CB  1 
ATOM   1125 C  CG1 . ILE A 1 130 ? -23.053 -11.690 -19.574 1.00 17.33 ? 136 ILE B CG1 1 
ATOM   1126 C  CG2 . ILE A 1 130 ? -21.995 -13.493 -20.982 1.00 15.81 ? 136 ILE B CG2 1 
ATOM   1127 C  CD1 . ILE A 1 130 ? -24.101 -11.351 -20.551 1.00 19.34 ? 136 ILE B CD1 1 
ATOM   1128 N  N   . PHE A 1 131 ? -19.058 -14.174 -19.330 1.00 13.45 ? 137 PHE B N   1 
ATOM   1129 C  CA  . PHE A 1 131 ? -17.793 -14.817 -19.763 1.00 13.44 ? 137 PHE B CA  1 
ATOM   1130 C  C   . PHE A 1 131 ? -18.143 -16.071 -20.553 1.00 12.76 ? 137 PHE B C   1 
ATOM   1131 O  O   . PHE A 1 131 ? -18.945 -16.918 -20.083 1.00 13.54 ? 137 PHE B O   1 
ATOM   1132 C  CB  . PHE A 1 131 ? -16.968 -15.253 -18.557 1.00 14.86 ? 137 PHE B CB  1 
ATOM   1133 C  CG  . PHE A 1 131 ? -15.699 -15.989 -18.914 1.00 15.29 ? 137 PHE B CG  1 
ATOM   1134 C  CD1 . PHE A 1 131 ? -14.699 -15.352 -19.623 1.00 17.60 ? 137 PHE B CD1 1 
ATOM   1135 C  CD2 . PHE A 1 131 ? -15.541 -17.328 -18.605 1.00 16.74 ? 137 PHE B CD2 1 
ATOM   1136 C  CE1 . PHE A 1 131 ? -13.517 -16.021 -19.927 1.00 19.29 ? 137 PHE B CE1 1 
ATOM   1137 C  CE2 . PHE A 1 131 ? -14.365 -18.001 -18.925 1.00 18.81 ? 137 PHE B CE2 1 
ATOM   1138 C  CZ  . PHE A 1 131 ? -13.373 -17.351 -19.602 1.00 17.31 ? 137 PHE B CZ  1 
ATOM   1139 N  N   . VAL A 1 132 ? -17.577 -16.177 -21.761 1.00 12.27 ? 138 VAL B N   1 
ATOM   1140 C  CA  . VAL A 1 132 ? -17.725 -17.381 -22.614 1.00 12.51 ? 138 VAL B CA  1 
ATOM   1141 C  C   . VAL A 1 132 ? -16.338 -17.969 -22.897 1.00 12.45 ? 138 VAL B C   1 
ATOM   1142 O  O   . VAL A 1 132 ? -15.471 -17.271 -23.367 1.00 15.09 ? 138 VAL B O   1 
ATOM   1143 C  CB  . VAL A 1 132 ? -18.469 -17.065 -23.919 1.00 12.92 ? 138 VAL B CB  1 
ATOM   1144 C  CG1 . VAL A 1 132 ? -18.617 -18.332 -24.787 1.00 14.74 ? 138 VAL B CG1 1 
ATOM   1145 C  CG2 . VAL A 1 132 ? -19.835 -16.452 -23.602 1.00 14.50 ? 138 VAL B CG2 1 
ATOM   1146 N  N   . ASP A 1 133 ? -16.201 -19.261 -22.623 1.00 12.81 ? 139 ASP B N   1 
ATOM   1147 C  CA  . ASP A 1 133 ? -15.019 -20.068 -23.049 1.00 14.79 ? 139 ASP B CA  1 
ATOM   1148 C  C   . ASP A 1 133 ? -15.536 -21.086 -24.064 1.00 13.95 ? 139 ASP B C   1 
ATOM   1149 O  O   . ASP A 1 133 ? -16.180 -22.093 -23.688 1.00 14.20 ? 139 ASP B O   1 
ATOM   1150 C  CB  . ASP A 1 133 ? -14.298 -20.656 -21.853 1.00 14.64 ? 139 ASP B CB  1 
ATOM   1151 C  CG  . ASP A 1 133 ? -13.017 -21.383 -22.254 1.00 17.70 ? 139 ASP B CG  1 
ATOM   1152 O  OD1 . ASP A 1 133 ? -12.921 -21.845 -23.428 1.00 18.59 ? 139 ASP B OD1 1 
ATOM   1153 O  OD2 . ASP A 1 133 ? -12.171 -21.536 -21.333 1.00 22.76 ? 139 ASP B OD2 1 
ATOM   1154 N  N   . TYR A 1 134 ? -15.309 -20.798 -25.352 1.00 14.64 ? 140 TYR B N   1 
ATOM   1155 C  CA  . TYR A 1 134 ? -15.888 -21.624 -26.417 1.00 14.35 ? 140 TYR B CA  1 
ATOM   1156 C  C   . TYR A 1 134 ? -15.367 -23.076 -26.329 1.00 15.00 ? 140 TYR B C   1 
ATOM   1157 O  O   . TYR A 1 134 ? -16.130 -24.021 -26.319 1.00 17.58 ? 140 TYR B O   1 
ATOM   1158 C  CB  . TYR A 1 134 ? -15.639 -21.016 -27.796 1.00 15.55 ? 140 TYR B CB  1 
ATOM   1159 C  CG  . TYR A 1 134 ? -16.582 -21.582 -28.827 1.00 15.53 ? 140 TYR B CG  1 
ATOM   1160 C  CD1 . TYR A 1 134 ? -16.430 -22.882 -29.282 1.00 15.31 ? 140 TYR B CD1 1 
ATOM   1161 C  CD2 . TYR A 1 134 ? -17.734 -20.912 -29.226 1.00 15.59 ? 140 TYR B CD2 1 
ATOM   1162 C  CE1 . TYR A 1 134 ? -17.286 -23.445 -30.197 1.00 16.65 ? 140 TYR B CE1 1 
ATOM   1163 C  CE2 . TYR A 1 134 ? -18.622 -21.475 -30.132 1.00 14.52 ? 140 TYR B CE2 1 
ATOM   1164 C  CZ  . TYR A 1 134 ? -18.413 -22.757 -30.618 1.00 15.63 ? 140 TYR B CZ  1 
ATOM   1165 O  OH  . TYR A 1 134 ? -19.298 -23.355 -31.464 1.00 15.73 ? 140 TYR B OH  1 
ATOM   1166 N  N   . GLU A 1 135 ? -14.048 -23.205 -26.241 1.00 16.71 ? 141 GLU B N   1 
ATOM   1167 C  CA  . GLU A 1 135 ? -13.434 -24.559 -26.270 1.00 17.99 ? 141 GLU B CA  1 
ATOM   1168 C  C   . GLU A 1 135 ? -13.870 -25.347 -25.046 1.00 16.68 ? 141 GLU B C   1 
ATOM   1169 O  O   . GLU A 1 135 ? -14.173 -26.555 -25.173 1.00 19.47 ? 141 GLU B O   1 
ATOM   1170 C  CB  . GLU A 1 135 ? -11.924 -24.434 -26.395 1.00 19.53 ? 141 GLU B CB  1 
ATOM   1171 C  CG  . GLU A 1 135 ? -11.501 -24.299 -27.867 1.00 26.30 ? 141 GLU B CG  1 
ATOM   1172 C  CD  . GLU A 1 135 ? -11.846 -22.962 -28.436 1.00 29.26 ? 141 GLU B CD  1 
ATOM   1173 O  OE1 . GLU A 1 135 ? -12.080 -22.872 -29.631 1.00 28.63 ? 141 GLU B OE1 1 
ATOM   1174 O  OE2 . GLU A 1 135 ? -11.892 -21.995 -27.648 1.00 31.61 ? 141 GLU B OE2 1 
ATOM   1175 N  N   . ALA A 1 136 ? -13.922 -24.742 -23.872 1.00 16.31 ? 142 ALA B N   1 
ATOM   1176 C  CA  . ALA A 1 136 ? -14.285 -25.439 -22.631 1.00 17.43 ? 142 ALA B CA  1 
ATOM   1177 C  C   . ALA A 1 136 ? -15.788 -25.729 -22.544 1.00 17.04 ? 142 ALA B C   1 
ATOM   1178 O  O   . ALA A 1 136 ? -16.175 -26.588 -21.726 1.00 19.09 ? 142 ALA B O   1 
ATOM   1179 C  CB  . ALA A 1 136 ? -13.850 -24.605 -21.463 1.00 19.02 ? 142 ALA B CB  1 
ATOM   1180 N  N   . GLY A 1 137 ? -16.626 -25.086 -23.354 1.00 13.80 ? 143 GLY B N   1 
ATOM   1181 C  CA  . GLY A 1 137 ? -18.078 -25.201 -23.245 1.00 12.63 ? 143 GLY B CA  1 
ATOM   1182 C  C   . GLY A 1 137 ? -18.608 -24.591 -21.947 1.00 13.67 ? 143 GLY B C   1 
ATOM   1183 O  O   . GLY A 1 137 ? -19.389 -25.271 -21.252 1.00 13.85 ? 143 GLY B O   1 
ATOM   1184 N  N   . VAL A 1 138 ? -18.247 -23.349 -21.669 1.00 13.42 ? 144 VAL B N   1 
ATOM   1185 C  CA  . VAL A 1 138 ? -18.620 -22.658 -20.392 1.00 12.93 ? 144 VAL B CA  1 
ATOM   1186 C  C   . VAL A 1 138 ? -19.229 -21.294 -20.704 1.00 13.04 ? 144 VAL B C   1 
ATOM   1187 O  O   . VAL A 1 138 ? -18.654 -20.527 -21.519 1.00 14.38 ? 144 VAL B O   1 
ATOM   1188 C  CB  . VAL A 1 138 ? -17.359 -22.496 -19.534 1.00 15.04 ? 144 VAL B CB  1 
ATOM   1189 C  CG1 . VAL A 1 138 ? -17.592 -21.528 -18.385 1.00 15.90 ? 144 VAL B CG1 1 
ATOM   1190 C  CG2 . VAL A 1 138 ? -16.926 -23.877 -19.066 1.00 16.51 ? 144 VAL B CG2 1 
ATOM   1191 N  N   . VAL A 1 139 ? -20.349 -20.980 -20.044 1.00 12.09 ? 145 VAL B N   1 
ATOM   1192 C  CA  . VAL A 1 139 ? -20.865 -19.592 -19.987 1.00 10.98 ? 145 VAL B CA  1 
ATOM   1193 C  C   . VAL A 1 139 ? -21.036 -19.270 -18.496 1.00 11.13 ? 145 VAL B C   1 
ATOM   1194 O  O   . VAL A 1 139 ? -21.839 -19.976 -17.831 1.00 12.49 ? 145 VAL B O   1 
ATOM   1195 C  CB  . VAL A 1 139 ? -22.206 -19.467 -20.733 1.00 11.58 ? 145 VAL B CB  1 
ATOM   1196 C  CG1 . VAL A 1 139 ? -22.660 -18.006 -20.710 1.00 12.52 ? 145 VAL B CG1 1 
ATOM   1197 C  CG2 . VAL A 1 139 ? -22.085 -20.006 -22.145 1.00 12.35 ? 145 VAL B CG2 1 
ATOM   1198 N  N   . SER A 1 140 ? -20.432 -18.197 -18.027 1.00 11.25 ? 146 SER B N   1 
ATOM   1199 C  CA  . SER A 1 140 ? -20.530 -17.788 -16.619 1.00 11.75 ? 146 SER B CA  1 
ATOM   1200 C  C   . SER A 1 140 ? -20.987 -16.338 -16.494 1.00 12.32 ? 146 SER B C   1 
ATOM   1201 O  O   . SER A 1 140 ? -20.673 -15.514 -17.356 1.00 13.41 ? 146 SER B O   1 
ATOM   1202 C  CB  . SER A 1 140 ? -19.150 -17.955 -15.972 1.00 12.77 ? 146 SER B CB  1 
ATOM   1203 O  OG  . SER A 1 140 ? -18.827 -19.342 -15.836 1.00 13.32 ? 146 SER B OG  1 
ATOM   1204 N  N   . PHE A 1 141 ? -21.698 -16.085 -15.404 1.00 11.29 ? 147 PHE B N   1 
ATOM   1205 C  CA  . PHE A 1 141 ? -22.288 -14.774 -15.092 1.00 11.58 ? 147 PHE B CA  1 
ATOM   1206 C  C   . PHE A 1 141 ? -21.766 -14.319 -13.732 1.00 11.95 ? 147 PHE B C   1 
ATOM   1207 O  O   . PHE A 1 141 ? -21.777 -15.097 -12.766 1.00 12.96 ? 147 PHE B O   1 
ATOM   1208 C  CB  . PHE A 1 141 ? -23.828 -14.856 -15.111 1.00 11.42 ? 147 PHE B CB  1 
ATOM   1209 C  CG  . PHE A 1 141 ? -24.394 -15.263 -16.445 1.00 11.67 ? 147 PHE B CG  1 
ATOM   1210 C  CD1 . PHE A 1 141 ? -24.505 -16.621 -16.782 1.00 11.35 ? 147 PHE B CD1 1 
ATOM   1211 C  CD2 . PHE A 1 141 ? -24.897 -14.305 -17.312 1.00 12.55 ? 147 PHE B CD2 1 
ATOM   1212 C  CE1 . PHE A 1 141 ? -24.984 -16.966 -18.045 1.00 11.31 ? 147 PHE B CE1 1 
ATOM   1213 C  CE2 . PHE A 1 141 ? -25.406 -14.672 -18.560 1.00 10.65 ? 147 PHE B CE2 1 
ATOM   1214 C  CZ  . PHE A 1 141 ? -25.490 -16.006 -18.901 1.00 11.09 ? 147 PHE B CZ  1 
ATOM   1215 N  N   . TYR A 1 142 ? -21.433 -13.030 -13.679 1.00 12.84 ? 148 TYR B N   1 
ATOM   1216 C  CA  . TYR A 1 142 ? -20.785 -12.392 -12.508 1.00 13.72 ? 148 TYR B CA  1 
ATOM   1217 C  C   . TYR A 1 142 ? -21.551 -11.136 -12.096 1.00 14.86 ? 148 TYR B C   1 
ATOM   1218 O  O   . TYR A 1 142 ? -22.013 -10.363 -12.903 1.00 15.27 ? 148 TYR B O   1 
ATOM   1219 C  CB  . TYR A 1 142 ? -19.307 -12.105 -12.788 1.00 14.06 ? 148 TYR B CB  1 
ATOM   1220 C  CG  . TYR A 1 142 ? -18.512 -13.360 -13.078 1.00 15.16 ? 148 TYR B CG  1 
ATOM   1221 C  CD1 . TYR A 1 142 ? -18.008 -14.128 -12.052 1.00 16.10 ? 148 TYR B CD1 1 
ATOM   1222 C  CD2 . TYR A 1 142 ? -18.308 -13.805 -14.371 1.00 15.28 ? 148 TYR B CD2 1 
ATOM   1223 C  CE1 . TYR A 1 142 ? -17.334 -15.313 -12.302 1.00 16.29 ? 148 TYR B CE1 1 
ATOM   1224 C  CE2 . TYR A 1 142 ? -17.635 -14.985 -14.639 1.00 15.80 ? 148 TYR B CE2 1 
ATOM   1225 C  CZ  . TYR A 1 142 ? -17.084 -15.721 -13.602 1.00 15.98 ? 148 TYR B CZ  1 
ATOM   1226 O  OH  . TYR A 1 142 ? -16.451 -16.933 -13.831 1.00 17.47 ? 148 TYR B OH  1 
ATOM   1227 N  N   . ASN A 1 143 ? -21.600 -10.912 -10.791 1.00 16.10 ? 149 ASN B N   1 
ATOM   1228 C  CA  . ASN A 1 143 ? -22.300 -9.741  -10.183 1.00 15.81 ? 149 ASN B CA  1 
ATOM   1229 C  C   . ASN A 1 143 ? -21.258 -8.628  -9.988  1.00 17.22 ? 149 ASN B C   1 
ATOM   1230 O  O   . ASN A 1 143 ? -20.478 -8.660  -8.997  1.00 17.51 ? 149 ASN B O   1 
ATOM   1231 C  CB  . ASN A 1 143 ? -22.933 -10.176 -8.868  1.00 16.85 ? 149 ASN B CB  1 
ATOM   1232 C  CG  . ASN A 1 143 ? -23.731 -9.074  -8.202  1.00 17.18 ? 149 ASN B CG  1 
ATOM   1233 O  OD1 . ASN A 1 143 ? -23.538 -7.901  -8.543  1.00 17.43 ? 149 ASN B OD1 1 
ATOM   1234 N  ND2 . ASN A 1 143 ? -24.632 -9.451  -7.324  1.00 16.95 ? 149 ASN B ND2 1 
ATOM   1235 N  N   . ILE A 1 144 ? -21.193 -7.648  -10.878 1.00 16.97 ? 150 ILE B N   1 
ATOM   1236 C  CA  . ILE A 1 144 ? -20.120 -6.621  -10.841 1.00 18.20 ? 150 ILE B CA  1 
ATOM   1237 C  C   . ILE A 1 144 ? -20.366 -5.743  -9.592  1.00 19.52 ? 150 ILE B C   1 
ATOM   1238 O  O   . ILE A 1 144 ? -19.374 -5.302  -8.987  1.00 21.67 ? 150 ILE B O   1 
ATOM   1239 C  CB  . ILE A 1 144 ? -20.106 -5.832  -12.150 1.00 19.64 ? 150 ILE B CB  1 
ATOM   1240 C  CG1 . ILE A 1 144 ? -19.920 -6.712  -13.390 1.00 19.86 ? 150 ILE B CG1 1 
ATOM   1241 C  CG2 . ILE A 1 144 ? -19.108 -4.675  -12.113 1.00 21.55 ? 150 ILE B CG2 1 
ATOM   1242 C  CD1 . ILE A 1 144 ? -18.817 -7.726  -13.307 1.00 23.37 ? 150 ILE B CD1 1 
ATOM   1243 N  N   . THR A 1 145 ? -21.620 -5.535  -9.213  1.00 18.46 ? 151 THR B N   1 
ATOM   1244 C  CA  . THR A 1 145 ? -22.000 -4.701  -8.022  1.00 18.27 ? 151 THR B CA  1 
ATOM   1245 C  C   . THR A 1 145 ? -21.427 -5.325  -6.753  1.00 22.66 ? 151 THR B C   1 
ATOM   1246 O  O   . THR A 1 145 ? -20.992 -4.552  -5.874  1.00 25.84 ? 151 THR B O   1 
ATOM   1247 C  CB  . THR A 1 145 ? -23.528 -4.537  -7.939  1.00 17.70 ? 151 THR B CB  1 
ATOM   1248 O  OG1 . THR A 1 145 ? -23.924 -4.103  -9.235  1.00 18.53 ? 151 THR B OG1 1 
ATOM   1249 C  CG2 . THR A 1 145 ? -23.922 -3.521  -6.892  1.00 21.02 ? 151 THR B CG2 1 
ATOM   1250 N  N   . ASP A 1 146 ? -21.366 -6.656  -6.680  1.00 21.56 ? 152 ASP B N   1 
ATOM   1251 C  CA  . ASP A 1 146 ? -20.874 -7.419  -5.496  1.00 22.98 ? 152 ASP B CA  1 
ATOM   1252 C  C   . ASP A 1 146 ? -19.456 -7.962  -5.747  1.00 22.06 ? 152 ASP B C   1 
ATOM   1253 O  O   . ASP A 1 146 ? -19.274 -9.170  -5.606  1.00 21.98 ? 152 ASP B O   1 
ATOM   1254 C  CB  . ASP A 1 146 ? -21.906 -8.455  -5.119  1.00 22.43 ? 152 ASP B CB  1 
ATOM   1255 C  CG  . ASP A 1 146 ? -21.531 -9.232  -3.879  1.00 26.90 ? 152 ASP B CG  1 
ATOM   1256 O  OD1 . ASP A 1 146 ? -21.087 -8.578  -2.907  1.00 26.15 ? 152 ASP B OD1 1 
ATOM   1257 O  OD2 . ASP A 1 146 ? -21.657 -10.484 -3.927  1.00 25.52 ? 152 ASP B OD2 1 
ATOM   1258 N  N   . HIS A 1 147 ? -18.506 -7.117  -6.137  1.00 23.12 ? 153 HIS B N   1 
ATOM   1259 C  CA  . HIS A 1 147 ? -17.063 -7.454  -6.273  1.00 27.50 ? 153 HIS B CA  1 
ATOM   1260 C  C   . HIS A 1 147 ? -16.882 -8.646  -7.234  1.00 27.17 ? 153 HIS B C   1 
ATOM   1261 O  O   . HIS A 1 147 ? -15.955 -9.437  -7.061  1.00 27.33 ? 153 HIS B O   1 
ATOM   1262 C  CB  . HIS A 1 147 ? -16.448 -7.818  -4.914  1.00 32.86 ? 153 HIS B CB  1 
ATOM   1263 C  CG  . HIS A 1 147 ? -16.738 -6.896  -3.768  1.00 40.75 ? 153 HIS B CG  1 
ATOM   1264 N  ND1 . HIS A 1 147 ? -16.176 -5.633  -3.664  1.00 49.40 ? 153 HIS B ND1 1 
ATOM   1265 C  CD2 . HIS A 1 147 ? -17.472 -7.080  -2.647  1.00 46.06 ? 153 HIS B CD2 1 
ATOM   1266 C  CE1 . HIS A 1 147 ? -16.580 -5.062  -2.541  1.00 52.14 ? 153 HIS B CE1 1 
ATOM   1267 N  NE2 . HIS A 1 147 ? -17.379 -5.932  -1.895  1.00 49.49 ? 153 HIS B NE2 1 
ATOM   1268 N  N   . GLY A 1 148 ? -17.738 -8.793  -8.241  1.00 21.65 ? 154 GLY B N   1 
ATOM   1269 C  CA  . GLY A 1 148 ? -17.517 -9.825  -9.277  1.00 18.92 ? 154 GLY B CA  1 
ATOM   1270 C  C   . GLY A 1 148 ? -17.949 -11.215 -8.845  1.00 17.96 ? 154 GLY B C   1 
ATOM   1271 O  O   . GLY A 1 148 ? -17.417 -12.128 -9.414  1.00 18.55 ? 154 GLY B O   1 
ATOM   1272 N  N   . SER A 1 149 ? -18.783 -11.358 -7.817  1.00 16.96 ? 155 SER B N   1 
ATOM   1273 C  CA  . SER A 1 149 ? -19.164 -12.684 -7.260  1.00 15.57 ? 155 SER B CA  1 
ATOM   1274 C  C   . SER A 1 149 ? -19.852 -13.543 -8.332  1.00 16.21 ? 155 SER B C   1 
ATOM   1275 O  O   . SER A 1 149 ? -20.624 -13.015 -9.164  1.00 15.95 ? 155 SER B O   1 
ATOM   1276 C  CB  . SER A 1 149 ? -20.000 -12.537 -6.025  1.00 17.29 ? 155 SER B CB  1 
ATOM   1277 O  OG  . SER A 1 149 ? -21.223 -11.826 -6.204  1.00 18.28 ? 155 SER B OG  1 
ATOM   1278 N  N   . LEU A 1 150 ? -19.644 -14.844 -8.310  1.00 15.56 ? 156 LEU B N   1 
ATOM   1279 C  CA  . LEU A 1 150 ? -20.298 -15.727 -9.311  1.00 14.48 ? 156 LEU B CA  1 
ATOM   1280 C  C   . LEU A 1 150 ? -21.804 -15.749 -9.084  1.00 13.96 ? 156 LEU B C   1 
ATOM   1281 O  O   . LEU A 1 150 ? -22.273 -15.992 -7.950  1.00 14.83 ? 156 LEU B O   1 
ATOM   1282 C  CB  . LEU A 1 150 ? -19.729 -17.144 -9.185  1.00 14.34 ? 156 LEU B CB  1 
ATOM   1283 C  CG  . LEU A 1 150 ? -20.267 -18.201 -10.158 1.00 14.55 ? 156 LEU B CG  1 
ATOM   1284 C  CD1 . LEU A 1 150 ? -19.903 -17.932 -11.613 1.00 14.62 ? 156 LEU B CD1 1 
ATOM   1285 C  CD2 . LEU A 1 150 ? -19.720 -19.599 -9.740  1.00 15.35 ? 156 LEU B CD2 1 
ATOM   1286 N  N   . ILE A 1 151 ? -22.554 -15.652 -10.174 1.00 12.28 ? 157 ILE B N   1 
ATOM   1287 C  CA  . ILE A 1 151 ? -24.016 -15.854 -10.193 1.00 13.12 ? 157 ILE B CA  1 
ATOM   1288 C  C   . ILE A 1 151 ? -24.321 -17.286 -10.647 1.00 12.30 ? 157 ILE B C   1 
ATOM   1289 O  O   . ILE A 1 151 ? -25.165 -17.960 -10.059 1.00 13.30 ? 157 ILE B O   1 
ATOM   1290 C  CB  . ILE A 1 151 ? -24.687 -14.777 -11.068 1.00 13.29 ? 157 ILE B CB  1 
ATOM   1291 C  CG1 . ILE A 1 151 ? -24.519 -13.376 -10.499 1.00 13.77 ? 157 ILE B CG1 1 
ATOM   1292 C  CG2 . ILE A 1 151 ? -26.170 -15.086 -11.311 1.00 13.13 ? 157 ILE B CG2 1 
ATOM   1293 C  CD1 . ILE A 1 151 ? -24.931 -12.269 -11.455 1.00 15.32 ? 157 ILE B CD1 1 
ATOM   1294 N  N   . TYR A 1 152 ? -23.782 -17.677 -11.799 1.00 11.84 ? 158 TYR B N   1 
ATOM   1295 C  CA  . TYR A 1 152 ? -24.163 -18.984 -12.388 1.00 11.11 ? 158 TYR B CA  1 
ATOM   1296 C  C   . TYR A 1 152 ? -23.122 -19.374 -13.447 1.00 11.54 ? 158 TYR B C   1 
ATOM   1297 O  O   . TYR A 1 152 ? -22.661 -18.503 -14.188 1.00 12.00 ? 158 TYR B O   1 
ATOM   1298 C  CB  . TYR A 1 152 ? -25.550 -18.930 -13.093 1.00 12.14 ? 158 TYR B CB  1 
ATOM   1299 C  CG  . TYR A 1 152 ? -26.077 -20.289 -13.459 1.00 11.69 ? 158 TYR B CG  1 
ATOM   1300 C  CD1 . TYR A 1 152 ? -26.716 -21.076 -12.512 1.00 13.05 ? 158 TYR B CD1 1 
ATOM   1301 C  CD2 . TYR A 1 152 ? -25.948 -20.785 -14.750 1.00 11.16 ? 158 TYR B CD2 1 
ATOM   1302 C  CE1 . TYR A 1 152 ? -27.119 -22.368 -12.808 1.00 13.13 ? 158 TYR B CE1 1 
ATOM   1303 C  CE2 . TYR A 1 152 ? -26.366 -22.071 -15.061 1.00 12.18 ? 158 TYR B CE2 1 
ATOM   1304 C  CZ  . TYR A 1 152 ? -26.971 -22.845 -14.095 1.00 12.23 ? 158 TYR B CZ  1 
ATOM   1305 O  OH  . TYR A 1 152 ? -27.377 -24.138 -14.319 1.00 14.40 ? 158 TYR B OH  1 
ATOM   1306 N  N   . THR A 1 153 ? -22.858 -20.686 -13.545 1.00 12.29 ? 159 THR B N   1 
ATOM   1307 C  CA  . THR A 1 153 ? -22.007 -21.292 -14.597 1.00 13.33 ? 159 THR B CA  1 
ATOM   1308 C  C   . THR A 1 153 ? -22.801 -22.383 -15.297 1.00 12.14 ? 159 THR B C   1 
ATOM   1309 O  O   . THR A 1 153 ? -23.190 -23.398 -14.675 1.00 13.65 ? 159 THR B O   1 
ATOM   1310 C  CB  . THR A 1 153 ? -20.669 -21.840 -14.052 1.00 14.13 ? 159 THR B CB  1 
ATOM   1311 O  OG1 . THR A 1 153 ? -19.888 -20.717 -13.654 1.00 13.68 ? 159 THR B OG1 1 
ATOM   1312 C  CG2 . THR A 1 153 ? -19.903 -22.654 -15.074 1.00 15.12 ? 159 THR B CG2 1 
ATOM   1313 N  N   . PHE A 1 154 ? -23.004 -22.221 -16.611 1.00 11.59 ? 160 PHE B N   1 
ATOM   1314 C  CA  . PHE A 1 154 ? -23.390 -23.338 -17.514 1.00 11.92 ? 160 PHE B CA  1 
ATOM   1315 C  C   . PHE A 1 154 ? -22.096 -24.029 -17.951 1.00 12.22 ? 160 PHE B C   1 
ATOM   1316 O  O   . PHE A 1 154 ? -21.233 -23.392 -18.508 1.00 12.81 ? 160 PHE B O   1 
ATOM   1317 C  CB  . PHE A 1 154 ? -24.055 -22.830 -18.786 1.00 12.27 ? 160 PHE B CB  1 
ATOM   1318 C  CG  . PHE A 1 154 ? -25.426 -22.232 -18.623 1.00 10.73 ? 160 PHE B CG  1 
ATOM   1319 C  CD1 . PHE A 1 154 ? -25.569 -20.861 -18.368 1.00 10.45 ? 160 PHE B CD1 1 
ATOM   1320 C  CD2 . PHE A 1 154 ? -26.579 -22.961 -18.839 1.00 11.19 ? 160 PHE B CD2 1 
ATOM   1321 C  CE1 . PHE A 1 154 ? -26.844 -20.314 -18.266 1.00 11.72 ? 160 PHE B CE1 1 
ATOM   1322 C  CE2 . PHE A 1 154 ? -27.854 -22.397 -18.727 1.00 11.33 ? 160 PHE B CE2 1 
ATOM   1323 C  CZ  . PHE A 1 154 ? -27.968 -21.045 -18.478 1.00 10.50 ? 160 PHE B CZ  1 
ATOM   1324 N  N   . SER A 1 155 ? -22.005 -25.328 -17.668 1.00 13.69 ? 161 SER B N   1 
ATOM   1325 C  CA  . SER A 1 155 ? -20.855 -26.102 -18.139 1.00 15.01 ? 161 SER B CA  1 
ATOM   1326 C  C   . SER A 1 155 ? -21.346 -27.270 -19.006 1.00 14.95 ? 161 SER B C   1 
ATOM   1327 O  O   . SER A 1 155 ? -22.559 -27.530 -19.097 1.00 16.53 ? 161 SER B O   1 
ATOM   1328 C  CB  . SER A 1 155 ? -20.035 -26.514 -16.933 1.00 17.20 ? 161 SER B CB  1 
ATOM   1329 O  OG  . SER A 1 155 ? -20.680 -27.489 -16.173 1.00 20.25 ? 161 SER B OG  1 
ATOM   1330 N  N   . GLU A 1 156 ? -20.399 -27.911 -19.694 1.00 17.13 ? 162 GLU B N   1 
ATOM   1331 C  CA  . GLU A 1 156 ? -20.715 -28.993 -20.664 1.00 18.70 ? 162 GLU B CA  1 
ATOM   1332 C  C   . GLU A 1 156 ? -21.660 -28.454 -21.742 1.00 17.61 ? 162 GLU B C   1 
ATOM   1333 O  O   . GLU A 1 156 ? -22.580 -29.181 -22.165 1.00 19.93 ? 162 GLU B O   1 
ATOM   1334 C  CB  . GLU A 1 156 ? -21.388 -30.195 -20.010 1.00 22.95 ? 162 GLU B CB  1 
ATOM   1335 C  CG  . GLU A 1 156 ? -20.776 -30.626 -18.701 1.00 28.81 ? 162 GLU B CG  1 
ATOM   1336 C  CD  . GLU A 1 156 ? -21.377 -31.951 -18.273 1.00 40.21 ? 162 GLU B CD  1 
ATOM   1337 O  OE1 . GLU A 1 156 ? -22.475 -31.950 -17.651 1.00 42.86 ? 162 GLU B OE1 1 
ATOM   1338 O  OE2 . GLU A 1 156 ? -20.797 -32.982 -18.659 1.00 45.55 ? 162 GLU B OE2 1 
ATOM   1339 N  N   . CYS A 1 157 ? -21.495 -27.178 -22.113 1.00 16.31 ? 163 CYS B N   1 
ATOM   1340 C  CA  . CYS A 1 157 ? -22.384 -26.562 -23.126 1.00 14.93 ? 163 CYS B CA  1 
ATOM   1341 C  C   . CYS A 1 157 ? -22.131 -27.193 -24.498 1.00 15.67 ? 163 CYS B C   1 
ATOM   1342 O  O   . CYS A 1 157 ? -20.932 -27.381 -24.854 1.00 17.19 ? 163 CYS B O   1 
ATOM   1343 C  CB  . CYS A 1 157 ? -22.191 -25.051 -23.255 1.00 14.37 ? 163 CYS B CB  1 
ATOM   1344 S  SG  . CYS A 1 157 ? -22.589 -24.131 -21.739 1.00 15.29 ? 163 CYS B SG  1 
ATOM   1345 N  N   . VAL A 1 158 ? -23.194 -27.435 -25.237 1.00 15.78 ? 164 VAL B N   1 
ATOM   1346 C  CA  . VAL A 1 158 ? -23.069 -27.939 -26.626 1.00 16.82 ? 164 VAL B CA  1 
ATOM   1347 C  C   . VAL A 1 158 ? -23.506 -26.801 -27.550 1.00 15.82 ? 164 VAL B C   1 
ATOM   1348 O  O   . VAL A 1 158 ? -24.697 -26.681 -27.907 1.00 17.80 ? 164 VAL B O   1 
ATOM   1349 C  CB  . VAL A 1 158 ? -23.826 -29.277 -26.774 1.00 19.69 ? 164 VAL B CB  1 
ATOM   1350 C  CG1 . VAL A 1 158 ? -23.717 -29.773 -28.208 1.00 21.20 ? 164 VAL B CG1 1 
ATOM   1351 C  CG2 . VAL A 1 158 ? -23.305 -30.325 -25.804 1.00 22.11 ? 164 VAL B CG2 1 
ATOM   1352 N  N   . PHE A 1 159 ? -22.595 -25.886 -27.856 1.00 14.31 ? 165 PHE B N   1 
ATOM   1353 C  CA  . PHE A 1 159 ? -22.932 -24.648 -28.596 1.00 14.61 ? 165 PHE B CA  1 
ATOM   1354 C  C   . PHE A 1 159 ? -23.493 -25.012 -29.977 1.00 17.04 ? 165 PHE B C   1 
ATOM   1355 O  O   . PHE A 1 159 ? -24.524 -24.452 -30.389 1.00 15.64 ? 165 PHE B O   1 
ATOM   1356 C  CB  . PHE A 1 159 ? -21.746 -23.697 -28.611 1.00 14.76 ? 165 PHE B CB  1 
ATOM   1357 C  CG  . PHE A 1 159 ? -21.309 -23.196 -27.251 1.00 12.85 ? 165 PHE B CG  1 
ATOM   1358 C  CD1 . PHE A 1 159 ? -22.243 -22.699 -26.350 1.00 13.37 ? 165 PHE B CD1 1 
ATOM   1359 C  CD2 . PHE A 1 159 ? -19.969 -23.214 -26.898 1.00 14.53 ? 165 PHE B CD2 1 
ATOM   1360 C  CE1 . PHE A 1 159 ? -21.837 -22.230 -25.102 1.00 13.26 ? 165 PHE B CE1 1 
ATOM   1361 C  CE2 . PHE A 1 159 ? -19.564 -22.738 -25.668 1.00 15.49 ? 165 PHE B CE2 1 
ATOM   1362 C  CZ  . PHE A 1 159 ? -20.497 -22.226 -24.799 1.00 13.80 ? 165 PHE B CZ  1 
ATOM   1363 N  N   . ALA A 1 160 ? -22.823 -25.925 -30.668 1.00 15.62 ? 166 ALA B N   1 
ATOM   1364 C  CA  . ALA A 1 160 ? -23.277 -26.471 -31.968 1.00 16.01 ? 166 ALA B CA  1 
ATOM   1365 C  C   . ALA A 1 160 ? -23.395 -25.387 -33.051 1.00 15.85 ? 166 ALA B C   1 
ATOM   1366 O  O   . ALA A 1 160 ? -24.199 -25.576 -34.021 1.00 17.17 ? 166 ALA B O   1 
ATOM   1367 C  CB  . ALA A 1 160 ? -24.567 -27.212 -31.801 1.00 16.67 ? 166 ALA B CB  1 
ATOM   1368 N  N   . GLY A 1 161 ? -22.638 -24.313 -32.952 1.00 16.27 ? 167 GLY B N   1 
ATOM   1369 C  CA  . GLY A 1 161 ? -22.573 -23.257 -33.967 1.00 16.80 ? 167 GLY B CA  1 
ATOM   1370 C  C   . GLY A 1 161 ? -21.932 -21.999 -33.442 1.00 15.51 ? 167 GLY B C   1 
ATOM   1371 O  O   . GLY A 1 161 ? -21.534 -21.954 -32.255 1.00 14.56 ? 167 GLY B O   1 
ATOM   1372 N  N   . PRO A 1 162 ? -21.823 -20.964 -34.275 1.00 14.22 ? 168 PRO B N   1 
ATOM   1373 C  CA  . PRO A 1 162 ? -21.342 -19.658 -33.848 1.00 13.91 ? 168 PRO B CA  1 
ATOM   1374 C  C   . PRO A 1 162 ? -22.284 -19.122 -32.769 1.00 14.80 ? 168 PRO B C   1 
ATOM   1375 O  O   . PRO A 1 162 ? -23.504 -19.364 -32.832 1.00 14.50 ? 168 PRO B O   1 
ATOM   1376 C  CB  . PRO A 1 162 ? -21.340 -18.762 -35.088 1.00 14.38 ? 168 PRO B CB  1 
ATOM   1377 C  CG  . PRO A 1 162 ? -21.477 -19.757 -36.228 1.00 14.87 ? 168 PRO B CG  1 
ATOM   1378 C  CD  . PRO A 1 162 ? -22.208 -20.950 -35.695 1.00 13.84 ? 168 PRO B CD  1 
ATOM   1379 N  N   . LEU A 1 163 ? -21.713 -18.382 -31.839 1.00 14.36 ? 169 LEU B N   1 
ATOM   1380 C  CA  . LEU A 1 163 ? -22.492 -17.733 -30.750 1.00 12.67 ? 169 LEU B CA  1 
ATOM   1381 C  C   . LEU A 1 163 ? -22.602 -16.235 -30.991 1.00 13.72 ? 169 LEU B C   1 
ATOM   1382 O  O   . LEU A 1 163 ? -21.659 -15.614 -31.459 1.00 14.82 ? 169 LEU B O   1 
ATOM   1383 C  CB  . LEU A 1 163 ? -21.800 -17.972 -29.405 1.00 13.06 ? 169 LEU B CB  1 
ATOM   1384 C  CG  . LEU A 1 163 ? -21.830 -19.402 -28.870 1.00 13.11 ? 169 LEU B CG  1 
ATOM   1385 C  CD1 . LEU A 1 163 ? -21.043 -19.465 -27.580 1.00 13.66 ? 169 LEU B CD1 1 
ATOM   1386 C  CD2 . LEU A 1 163 ? -23.269 -19.865 -28.668 1.00 13.95 ? 169 LEU B CD2 1 
ATOM   1387 N  N   . ARG A 1 164 ? -23.750 -15.675 -30.598 1.00 12.45 ? 170 ARG B N   1 
ATOM   1388 C  CA  . ARG A 1 164 ? -23.956 -14.209 -30.584 1.00 12.28 ? 170 ARG B CA  1 
ATOM   1389 C  C   . ARG A 1 164 ? -24.383 -13.747 -29.190 1.00 11.37 ? 170 ARG B C   1 
ATOM   1390 O  O   . ARG A 1 164 ? -25.144 -14.429 -28.508 1.00 12.13 ? 170 ARG B O   1 
ATOM   1391 C  CB  . ARG A 1 164 ? -25.029 -13.854 -31.607 1.00 14.17 ? 170 ARG B CB  1 
ATOM   1392 C  CG  . ARG A 1 164 ? -24.536 -14.218 -33.012 1.00 16.45 ? 170 ARG B CG  1 
ATOM   1393 C  CD  . ARG A 1 164 ? -25.449 -13.854 -34.133 1.00 18.94 ? 170 ARG B CD  1 
ATOM   1394 N  NE  . ARG A 1 164 ? -25.514 -12.403 -34.238 1.00 17.81 ? 170 ARG B NE  1 
ATOM   1395 C  CZ  . ARG A 1 164 ? -26.229 -11.773 -35.160 1.00 18.26 ? 170 ARG B CZ  1 
ATOM   1396 N  NH1 . ARG A 1 164 ? -26.829 -12.468 -36.100 1.00 18.23 ? 170 ARG B NH1 1 
ATOM   1397 N  NH2 . ARG A 1 164 ? -26.263 -10.446 -35.174 1.00 17.02 ? 170 ARG B NH2 1 
ATOM   1398 N  N   . PRO A 1 165 ? -23.964 -12.541 -28.775 1.00 11.83 ? 171 PRO B N   1 
ATOM   1399 C  CA  . PRO A 1 165 ? -24.470 -11.966 -27.518 1.00 11.20 ? 171 PRO B CA  1 
ATOM   1400 C  C   . PRO A 1 165 ? -25.987 -11.784 -27.674 1.00 10.88 ? 171 PRO B C   1 
ATOM   1401 O  O   . PRO A 1 165 ? -26.488 -11.440 -28.761 1.00 12.29 ? 171 PRO B O   1 
ATOM   1402 C  CB  . PRO A 1 165 ? -23.805 -10.590 -27.419 1.00 11.57 ? 171 PRO B CB  1 
ATOM   1403 C  CG  . PRO A 1 165 ? -22.509 -10.765 -28.243 1.00 12.84 ? 171 PRO B CG  1 
ATOM   1404 C  CD  . PRO A 1 165 ? -22.940 -11.676 -29.386 1.00 13.69 ? 171 PRO B CD  1 
ATOM   1405 N  N   . PHE A 1 166 ? -26.719 -12.048 -26.601 1.00 10.23 ? 172 PHE B N   1 
ATOM   1406 C  CA  . PHE A 1 166 ? -28.200 -12.081 -26.583 1.00 10.31 ? 172 PHE B CA  1 
ATOM   1407 C  C   . PHE A 1 166 ? -28.719 -11.126 -25.500 1.00 10.01 ? 172 PHE B C   1 
ATOM   1408 O  O   . PHE A 1 166 ? -28.241 -11.136 -24.345 1.00 10.87 ? 172 PHE B O   1 
ATOM   1409 C  CB  . PHE A 1 166 ? -28.678 -13.510 -26.302 1.00 10.82 ? 172 PHE B CB  1 
ATOM   1410 C  CG  . PHE A 1 166 ? -30.176 -13.599 -26.115 1.00 11.43 ? 172 PHE B CG  1 
ATOM   1411 C  CD1 . PHE A 1 166 ? -31.025 -13.572 -27.203 1.00 12.41 ? 172 PHE B CD1 1 
ATOM   1412 C  CD2 . PHE A 1 166 ? -30.740 -13.617 -24.847 1.00 11.87 ? 172 PHE B CD2 1 
ATOM   1413 C  CE1 . PHE A 1 166 ? -32.411 -13.639 -27.020 1.00 12.54 ? 172 PHE B CE1 1 
ATOM   1414 C  CE2 . PHE A 1 166 ? -32.117 -13.665 -24.671 1.00 12.25 ? 172 PHE B CE2 1 
ATOM   1415 C  CZ  . PHE A 1 166 ? -32.940 -13.683 -25.758 1.00 13.03 ? 172 PHE B CZ  1 
ATOM   1416 N  N   . PHE A 1 167 ? -29.812 -10.398 -25.822 1.00 11.16 ? 173 PHE B N   1 
ATOM   1417 C  CA  . PHE A 1 167 ? -30.393 -9.354  -24.953 1.00 10.34 ? 173 PHE B CA  1 
ATOM   1418 C  C   . PHE A 1 167 ? -31.922 -9.430  -25.044 1.00 10.77 ? 173 PHE B C   1 
ATOM   1419 O  O   . PHE A 1 167 ? -32.430 -9.511  -26.170 1.00 12.79 ? 173 PHE B O   1 
ATOM   1420 C  CB  . PHE A 1 167 ? -29.940 -7.932  -25.339 1.00 10.95 ? 173 PHE B CB  1 
ATOM   1421 C  CG  . PHE A 1 167 ? -28.437 -7.800  -25.449 1.00 11.04 ? 173 PHE B CG  1 
ATOM   1422 C  CD1 . PHE A 1 167 ? -27.791 -8.115  -26.640 1.00 11.03 ? 173 PHE B CD1 1 
ATOM   1423 C  CD2 . PHE A 1 167 ? -27.668 -7.362  -24.376 1.00 13.08 ? 173 PHE B CD2 1 
ATOM   1424 C  CE1 . PHE A 1 167 ? -26.405 -8.054  -26.738 1.00 11.55 ? 173 PHE B CE1 1 
ATOM   1425 C  CE2 . PHE A 1 167 ? -26.292 -7.244  -24.496 1.00 12.98 ? 173 PHE B CE2 1 
ATOM   1426 C  CZ  . PHE A 1 167 ? -25.670 -7.598  -25.677 1.00 13.27 ? 173 PHE B CZ  1 
ATOM   1427 N  N   . ASN A 1 168 ? -32.589 -9.241  -23.920 1.00 11.25 ? 174 ASN B N   1 
ATOM   1428 C  CA  . ASN A 1 168 ? -34.055 -9.014  -23.873 1.00 11.50 ? 174 ASN B CA  1 
ATOM   1429 C  C   . ASN A 1 168 ? -34.293 -7.869  -22.887 1.00 11.79 ? 174 ASN B C   1 
ATOM   1430 O  O   . ASN A 1 168 ? -33.947 -8.008  -21.704 1.00 12.72 ? 174 ASN B O   1 
ATOM   1431 C  CB  . ASN A 1 168 ? -34.826 -10.257 -23.449 1.00 11.63 ? 174 ASN B CB  1 
ATOM   1432 C  CG  . ASN A 1 168 ? -36.327 -10.067 -23.535 1.00 14.25 ? 174 ASN B CG  1 
ATOM   1433 O  OD1 . ASN A 1 168 ? -36.822 -8.996  -23.844 1.00 14.46 ? 174 ASN B OD1 1 
ATOM   1434 N  ND2 . ASN A 1 168 ? -37.042 -11.142 -23.301 1.00 15.98 ? 174 ASN B ND2 1 
ATOM   1435 N  N   . VAL A 1 169 ? -34.803 -6.720  -23.363 1.00 11.96 ? 175 VAL B N   1 
ATOM   1436 C  CA  . VAL A 1 169 ? -35.048 -5.561  -22.454 1.00 11.91 ? 175 VAL B CA  1 
ATOM   1437 C  C   . VAL A 1 169 ? -36.309 -5.786  -21.604 1.00 13.13 ? 175 VAL B C   1 
ATOM   1438 O  O   . VAL A 1 169 ? -36.532 -4.993  -20.655 1.00 13.86 ? 175 VAL B O   1 
ATOM   1439 C  CB  . VAL A 1 169 ? -35.136 -4.209  -23.194 1.00 13.27 ? 175 VAL B CB  1 
ATOM   1440 C  CG1 . VAL A 1 169 ? -33.868 -3.912  -23.940 1.00 14.33 ? 175 VAL B CG1 1 
ATOM   1441 C  CG2 . VAL A 1 169 ? -36.321 -4.177  -24.160 1.00 13.69 ? 175 VAL B CG2 1 
ATOM   1442 N  N   . GLY A 1 170 ? -37.090 -6.818  -21.946 1.00 13.83 ? 176 GLY B N   1 
ATOM   1443 C  CA  . GLY A 1 170 ? -38.370 -7.106  -21.271 1.00 15.87 ? 176 GLY B CA  1 
ATOM   1444 C  C   . GLY A 1 170 ? -39.506 -6.198  -21.666 1.00 15.51 ? 176 GLY B C   1 
ATOM   1445 O  O   . GLY A 1 170 ? -39.299 -5.111  -22.229 1.00 14.17 ? 176 GLY B O   1 
ATOM   1446 N  N   . PHE A 1 171 ? -40.714 -6.659  -21.329 0.22 15.62 ? 177 PHE B N   1 
ATOM   1447 C  CA  . PHE A 1 171 ? -42.005 -5.942  -21.481 0.22 15.37 ? 177 PHE B CA  1 
ATOM   1448 C  C   . PHE A 1 171 ? -42.013 -4.731  -20.540 0.22 14.99 ? 177 PHE B C   1 
ATOM   1449 O  O   . PHE A 1 171 ? -41.225 -4.734  -19.573 0.22 14.64 ? 177 PHE B O   1 
ATOM   1450 C  CB  . PHE A 1 171 ? -43.180 -6.876  -21.162 0.22 15.56 ? 177 PHE B CB  1 
ATOM   1451 C  CG  . PHE A 1 171 ? -43.183 -8.223  -21.849 0.22 15.65 ? 177 PHE B CG  1 
ATOM   1452 C  CD1 . PHE A 1 171 ? -43.073 -8.325  -23.228 0.22 15.61 ? 177 PHE B CD1 1 
ATOM   1453 C  CD2 . PHE A 1 171 ? -43.357 -9.392  -21.119 0.22 16.09 ? 177 PHE B CD2 1 
ATOM   1454 C  CE1 . PHE A 1 171 ? -43.094 -9.564  -23.853 0.22 16.00 ? 177 PHE B CE1 1 
ATOM   1455 C  CE2 . PHE A 1 171 ? -43.382 -10.631 -21.745 0.22 16.47 ? 177 PHE B CE2 1 
ATOM   1456 C  CZ  . PHE A 1 171 ? -43.251 -10.715 -23.111 0.22 15.79 ? 177 PHE B CZ  1 
ATOM   1457 N  N   . ASN A 1 172 ? -42.872 -3.737  -20.791 1.00 15.27 ? 178 ASN B N   1 
ATOM   1458 C  CA  . ASN A 1 172 ? -43.034 -2.614  -19.841 1.00 13.19 ? 178 ASN B CA  1 
ATOM   1459 C  C   . ASN A 1 172 ? -44.546 -2.438  -19.631 1.00 13.43 ? 178 ASN B C   1 
ATOM   1460 O  O   . ASN A 1 172 ? -45.025 -1.322  -19.698 1.00 15.46 ? 178 ASN B O   1 
ATOM   1461 C  CB  . ASN A 1 172 ? -42.334 -1.364  -20.328 1.00 14.08 ? 178 ASN B CB  1 
ATOM   1462 C  CG  . ASN A 1 172 ? -42.399 -0.252  -19.324 1.00 14.08 ? 178 ASN B CG  1 
ATOM   1463 O  OD1 . ASN A 1 172 ? -42.392 -0.480  -18.112 1.00 14.31 ? 178 ASN B OD1 1 
ATOM   1464 N  ND2 . ASN A 1 172 ? -42.395 0.970   -19.811 1.00 16.14 ? 178 ASN B ND2 1 
ATOM   1465 N  N   . TYR A 1 173 ? -45.217 -3.502  -19.266 1.00 14.20 ? 179 TYR B N   1 
ATOM   1466 C  CA  . TYR A 1 173 ? -46.669 -3.437  -18.923 1.00 12.86 ? 179 TYR B CA  1 
ATOM   1467 C  C   . TYR A 1 173 ? -46.847 -2.589  -17.653 1.00 15.07 ? 179 TYR B C   1 
ATOM   1468 O  O   . TYR A 1 173 ? -47.928 -1.955  -17.482 1.00 16.70 ? 179 TYR B O   1 
ATOM   1469 C  CB  . TYR A 1 173 ? -47.220 -4.852  -18.720 1.00 14.31 ? 179 TYR B CB  1 
ATOM   1470 C  CG  . TYR A 1 173 ? -47.290 -5.693  -19.960 1.00 16.45 ? 179 TYR B CG  1 
ATOM   1471 C  CD1 . TYR A 1 173 ? -48.191 -5.406  -20.966 1.00 22.51 ? 179 TYR B CD1 1 
ATOM   1472 C  CD2 . TYR A 1 173 ? -46.484 -6.810  -20.090 1.00 19.32 ? 179 TYR B CD2 1 
ATOM   1473 C  CE1 . TYR A 1 173 ? -48.225 -6.151  -22.139 1.00 24.27 ? 179 TYR B CE1 1 
ATOM   1474 C  CE2 . TYR A 1 173 ? -46.522 -7.574  -21.249 1.00 20.13 ? 179 TYR B CE2 1 
ATOM   1475 C  CZ  . TYR A 1 173 ? -47.382 -7.240  -22.271 1.00 23.23 ? 179 TYR B CZ  1 
ATOM   1476 O  OH  . TYR A 1 173 ? -47.437 -8.047  -23.392 1.00 28.13 ? 179 TYR B OH  1 
ATOM   1477 N  N   . SER A 1 174 ? -45.903 -2.613  -16.738 1.00 13.74 ? 180 SER B N   1 
ATOM   1478 C  CA  . SER A 1 174 ? -46.004 -2.017  -15.377 1.00 14.88 ? 180 SER B CA  1 
ATOM   1479 C  C   . SER A 1 174 ? -45.708 -0.524  -15.418 1.00 15.17 ? 180 SER B C   1 
ATOM   1480 O  O   . SER A 1 174 ? -45.988 0.157   -14.396 1.00 15.40 ? 180 SER B O   1 
ATOM   1481 C  CB  . SER A 1 174 ? -45.045 -2.636  -14.406 1.00 15.13 ? 180 SER B CB  1 
ATOM   1482 O  OG  . SER A 1 174 ? -43.698 -2.400  -14.808 1.00 15.99 ? 180 SER B OG  1 
ATOM   1483 N  N   . GLY A 1 175 ? -45.037 -0.051  -16.470 1.00 14.31 ? 181 GLY B N   1 
ATOM   1484 C  CA  . GLY A 1 175 ? -44.506 1.322   -16.441 1.00 14.96 ? 181 GLY B CA  1 
ATOM   1485 C  C   . GLY A 1 175 ? -43.256 1.466   -15.606 1.00 16.28 ? 181 GLY B C   1 
ATOM   1486 O  O   . GLY A 1 175 ? -42.771 2.612   -15.500 1.00 18.54 ? 181 GLY B O   1 
ATOM   1487 N  N   . GLY A 1 176 ? -42.735 0.381   -15.015 1.00 14.79 ? 182 GLY B N   1 
ATOM   1488 C  CA  . GLY A 1 176 ? -41.521 0.435   -14.194 1.00 14.64 ? 182 GLY B CA  1 
ATOM   1489 C  C   . GLY A 1 176 ? -40.309 -0.203  -14.868 1.00 15.16 ? 182 GLY B C   1 
ATOM   1490 O  O   . GLY A 1 176 ? -39.245 -0.254  -14.188 1.00 16.80 ? 182 GLY B O   1 
ATOM   1491 N  N   . ASN A 1 177 ? -40.435 -0.604  -16.136 1.00 12.48 ? 183 ASN B N   1 
ATOM   1492 C  CA  . ASN A 1 177 ? -39.329 -1.290  -16.831 1.00 12.92 ? 183 ASN B CA  1 
ATOM   1493 C  C   . ASN A 1 177 ? -38.884 -0.601  -18.121 1.00 12.80 ? 183 ASN B C   1 
ATOM   1494 O  O   . ASN A 1 177 ? -38.316 -1.270  -18.984 1.00 14.46 ? 183 ASN B O   1 
ATOM   1495 C  CB  . ASN A 1 177 ? -39.691 -2.742  -17.123 1.00 13.16 ? 183 ASN B CB  1 
ATOM   1496 C  CG  . ASN A 1 177 ? -38.458 -3.570  -17.424 1.00 13.28 ? 183 ASN B CG  1 
ATOM   1497 O  OD1 . ASN A 1 177 ? -37.433 -3.392  -16.796 1.00 14.09 ? 183 ASN B OD1 1 
ATOM   1498 N  ND2 . ASN A 1 177 ? -38.604 -4.506  -18.360 1.00 13.45 ? 183 ASN B ND2 1 
ATOM   1499 N  N   . ALA A 1 178 ? -38.943 0.731   -18.193 1.00 13.40 ? 184 ALA B N   1 
ATOM   1500 C  CA  . ALA A 1 178 ? -38.558 1.462   -19.426 1.00 14.69 ? 184 ALA B CA  1 
ATOM   1501 C  C   . ALA A 1 178 ? -37.043 1.590   -19.573 1.00 14.71 ? 184 ALA B C   1 
ATOM   1502 O  O   . ALA A 1 178 ? -36.609 1.891   -20.704 1.00 15.91 ? 184 ALA B O   1 
ATOM   1503 C  CB  . ALA A 1 178 ? -39.185 2.857   -19.425 1.00 14.92 ? 184 ALA B CB  1 
ATOM   1504 N  N   . ALA A 1 179 ? -36.287 1.443   -18.484 1.00 14.40 ? 185 ALA B N   1 
ATOM   1505 C  CA  . ALA A 1 179 ? -34.833 1.729   -18.518 1.00 14.83 ? 185 ALA B CA  1 
ATOM   1506 C  C   . ALA A 1 179 ? -34.135 0.858   -19.566 1.00 15.03 ? 185 ALA B C   1 
ATOM   1507 O  O   . ALA A 1 179 ? -34.524 -0.293  -19.806 1.00 13.75 ? 185 ALA B O   1 
ATOM   1508 C  CB  . ALA A 1 179 ? -34.205 1.595   -17.163 1.00 14.62 ? 185 ALA B CB  1 
ATOM   1509 N  N   . PRO A 1 180 ? -33.037 1.368   -20.168 1.00 14.04 ? 186 PRO B N   1 
ATOM   1510 C  CA  . PRO A 1 180 ? -32.296 0.626   -21.192 1.00 14.62 ? 186 PRO B CA  1 
ATOM   1511 C  C   . PRO A 1 180 ? -31.376 -0.478  -20.604 1.00 12.95 ? 186 PRO B C   1 
ATOM   1512 O  O   . PRO A 1 180 ? -31.071 -0.446  -19.391 1.00 13.78 ? 186 PRO B O   1 
ATOM   1513 C  CB  . PRO A 1 180 ? -31.405 1.726   -21.807 1.00 15.57 ? 186 PRO B CB  1 
ATOM   1514 C  CG  . PRO A 1 180 ? -31.180 2.703   -20.697 1.00 17.00 ? 186 PRO B CG  1 
ATOM   1515 C  CD  . PRO A 1 180 ? -32.514 2.736   -19.966 1.00 16.48 ? 186 PRO B CD  1 
ATOM   1516 N  N   . LEU A 1 181 ? -31.010 -1.452  -21.439 1.00 13.12 ? 187 LEU B N   1 
ATOM   1517 C  CA  . LEU A 1 181 ? -29.760 -2.219  -21.265 1.00 12.74 ? 187 LEU B CA  1 
ATOM   1518 C  C   . LEU A 1 181 ? -28.634 -1.396  -21.900 1.00 13.19 ? 187 LEU B C   1 
ATOM   1519 O  O   . LEU A 1 181 ? -28.796 -0.916  -23.049 1.00 15.12 ? 187 LEU B O   1 
ATOM   1520 C  CB  . LEU A 1 181 ? -29.921 -3.587  -21.911 1.00 13.61 ? 187 LEU B CB  1 
ATOM   1521 C  CG  . LEU A 1 181 ? -30.958 -4.525  -21.291 1.00 15.20 ? 187 LEU B CG  1 
ATOM   1522 C  CD1 . LEU A 1 181 ? -31.102 -5.790  -22.100 1.00 16.54 ? 187 LEU B CD1 1 
ATOM   1523 C  CD2 . LEU A 1 181 ? -30.609 -4.853  -19.836 1.00 16.10 ? 187 LEU B CD2 1 
ATOM   1524 N  N   . LYS A 1 182 ? -27.480 -1.329  -21.257 1.00 13.33 ? 188 LYS B N   1 
ATOM   1525 C  CA  . LYS A 1 182 ? -26.306 -0.597  -21.791 1.00 14.45 ? 188 LYS B CA  1 
ATOM   1526 C  C   . LYS A 1 182 ? -25.075 -1.476  -21.743 1.00 14.79 ? 188 LYS B C   1 
ATOM   1527 O  O   . LYS A 1 182 ? -24.763 -2.003  -20.640 1.00 15.04 ? 188 LYS B O   1 
ATOM   1528 C  CB  . LYS A 1 182 ? -26.034 0.701   -21.018 1.00 16.85 ? 188 LYS B CB  1 
ATOM   1529 C  CG  . LYS A 1 182 ? -27.230 1.611   -20.790 1.00 20.63 ? 188 LYS B CG  1 
ATOM   1530 C  CD  . LYS A 1 182 ? -26.801 2.966   -20.244 1.00 26.49 ? 188 LYS B CD  1 
ATOM   1531 C  CE  . LYS A 1 182 ? -27.945 3.781   -19.698 1.00 32.39 ? 188 LYS B CE  1 
ATOM   1532 N  NZ  . LYS A 1 182 ? -27.433 4.956   -18.951 1.00 37.44 ? 188 LYS B NZ  1 
ATOM   1533 N  N   . LEU A 1 183 ? -24.350 -1.543  -22.838 1.00 15.37 ? 189 LEU B N   1 
ATOM   1534 C  CA  . LEU A 1 183 ? -23.012 -2.181  -22.843 1.00 15.17 ? 189 LEU B CA  1 
ATOM   1535 C  C   . LEU A 1 183 ? -22.010 -1.235  -22.208 1.00 17.17 ? 189 LEU B C   1 
ATOM   1536 O  O   . LEU A 1 183 ? -21.863 -0.093  -22.694 1.00 19.72 ? 189 LEU B O   1 
ATOM   1537 C  CB  . LEU A 1 183 ? -22.656 -2.583  -24.271 1.00 15.50 ? 189 LEU B CB  1 
ATOM   1538 C  CG  . LEU A 1 183 ? -23.399 -3.833  -24.740 1.00 16.84 ? 189 LEU B CG  1 
ATOM   1539 C  CD1 . LEU A 1 183 ? -23.562 -3.913  -26.242 1.00 21.16 ? 189 LEU B CD1 1 
ATOM   1540 C  CD2 . LEU A 1 183 ? -22.756 -5.104  -24.190 1.00 15.63 ? 189 LEU B CD2 1 
ATOM   1541 N  N   . CYS A 1 184 ? -21.392 -1.675  -21.111 1.00 17.89 ? 190 CYS B N   1 
ATOM   1542 C  CA  . CYS A 1 184 ? -20.477 -0.845  -20.269 1.00 19.87 ? 190 CYS B CA  1 
ATOM   1543 C  C   . CYS A 1 184 ? -19.109 -0.768  -20.903 1.00 22.19 ? 190 CYS B C   1 
ATOM   1544 O  O   . CYS A 1 184 ? -18.636 -1.718  -21.489 1.00 21.56 ? 190 CYS B O   1 
ATOM   1545 C  CB  . CYS A 1 184 ? -20.172 -1.468  -18.919 1.00 22.64 ? 190 CYS B CB  1 
ATOM   1546 S  SG  . CYS A 1 184 ? -21.609 -2.023  -18.004 1.00 23.95 ? 190 CYS B SG  1 
ATOM   1547 N  N   . PRO A 1 185 ? -18.421 0.377   -20.754 1.00 26.28 ? 191 PRO B N   1 
ATOM   1548 C  CA  . PRO A 1 185 ? -17.098 0.527   -21.324 1.00 31.38 ? 191 PRO B CA  1 
ATOM   1549 C  C   . PRO A 1 185 ? -16.113 -0.405  -20.616 1.00 29.42 ? 191 PRO B C   1 
ATOM   1550 O  O   . PRO A 1 185 ? -16.296 -0.714  -19.432 1.00 30.52 ? 191 PRO B O   1 
ATOM   1551 C  CB  . PRO A 1 185 ? -16.828 2.033   -21.130 1.00 31.44 ? 191 PRO B CB  1 
ATOM   1552 C  CG  . PRO A 1 185 ? -17.652 2.413   -19.948 1.00 32.30 ? 191 PRO B CG  1 
ATOM   1553 C  CD  . PRO A 1 185 ? -18.909 1.589   -20.072 1.00 29.57 ? 191 PRO B CD  1 
ATOM   1554 N  N   . LEU A 1 186 ? -15.120 -0.811  -21.400 1.00 34.35 ? 192 LEU B N   1 
ATOM   1555 C  CA  . LEU A 1 186 ? -13.872 -1.542  -21.055 1.00 40.45 ? 192 LEU B CA  1 
ATOM   1556 C  C   . LEU A 1 186 ? -12.993 -0.684  -20.143 1.00 45.67 ? 192 LEU B C   1 
ATOM   1557 O  O   . LEU A 1 186 ? -12.284 -1.266  -19.313 1.00 51.31 ? 192 LEU B O   1 
ATOM   1558 C  CB  . LEU A 1 186 ? -13.143 -1.831  -22.373 1.00 38.81 ? 192 LEU B CB  1 
HETATM 1559 N  N1  . B1J B 2 .   ? -44.394 -4.565  -25.010 0.22 22.57 ? 201 B1J B N1  1 
HETATM 1560 N  N3  . B1J B 2 .   ? -44.061 -4.932  -23.752 0.22 22.48 ? 201 B1J B N3  1 
HETATM 1561 C  C4  . B1J B 2 .   ? -44.212 -7.576  -27.152 0.22 24.68 ? 201 B1J B C4  1 
HETATM 1562 C  C5  . B1J B 2 .   ? -44.485 -6.748  -26.077 0.22 23.62 ? 201 B1J B C5  1 
HETATM 1563 C  C6  . B1J B 2 .   ? -44.097 -5.420  -26.119 0.22 23.42 ? 201 B1J B C6  1 
HETATM 1564 C  C7  . B1J B 2 .   ? -45.027 -3.368  -24.996 0.22 22.61 ? 201 B1J B C7  1 
HETATM 1565 C  C8  . B1J B 2 .   ? -45.066 -2.995  -23.686 0.22 22.61 ? 201 B1J B C8  1 
HETATM 1566 C  C1  . B1J B 2 .   ? -43.449 -4.913  -27.233 0.22 23.72 ? 201 B1J B C1  1 
HETATM 1567 C  C2  . B1J B 2 .   ? -43.180 -5.744  -28.310 0.22 24.37 ? 201 B1J B C2  1 
HETATM 1568 C  C3  . B1J B 2 .   ? -43.562 -7.067  -28.254 0.22 25.11 ? 201 B1J B C3  1 
HETATM 1569 N  N2  . B1J B 2 .   ? -44.463 -3.972  -22.954 0.22 22.17 ? 201 B1J B N2  1 
HETATM 1570 C  C9  . B1J B 2 .   ? -45.642 -1.766  -23.054 0.22 22.69 ? 201 B1J B C9  1 
HETATM 1571 O  O1  . B1J B 2 .   ? -44.717 -0.691  -23.026 0.22 22.52 ? 201 B1J B O1  1 
HETATM 1572 CL CL1 . B1J B 2 .   ? -43.230 -8.114  -29.606 0.22 25.47 ? 201 B1J B CL1 1 
HETATM 1573 C  C1  . EDO C 3 .   ? -50.474 -16.992 -33.182 1.00 40.80 ? 202 EDO B C1  1 
HETATM 1574 O  O1  . EDO C 3 .   ? -49.158 -16.485 -33.150 1.00 36.09 ? 202 EDO B O1  1 
HETATM 1575 C  C2  . EDO C 3 .   ? -51.030 -17.100 -31.831 1.00 40.58 ? 202 EDO B C2  1 
HETATM 1576 O  O2  . EDO C 3 .   ? -51.152 -15.834 -31.231 1.00 46.91 ? 202 EDO B O2  1 
HETATM 1577 S  S   . SO4 D 4 .   ? -40.440 -24.596 -26.297 1.00 41.95 ? 203 SO4 B S   1 
HETATM 1578 O  O1  . SO4 D 4 .   ? -39.742 -23.634 -27.088 1.00 27.74 ? 203 SO4 B O1  1 
HETATM 1579 O  O2  . SO4 D 4 .   ? -41.320 -25.347 -27.132 1.00 45.45 ? 203 SO4 B O2  1 
HETATM 1580 O  O3  . SO4 D 4 .   ? -39.484 -25.487 -25.674 1.00 46.91 ? 203 SO4 B O3  1 
HETATM 1581 O  O4  . SO4 D 4 .   ? -41.210 -23.949 -25.259 1.00 43.95 ? 203 SO4 B O4  1 
HETATM 1582 O  O   . HOH E 5 .   ? -38.682 -15.304 -11.636 1.00 32.48 ? 301 HOH B O   1 
HETATM 1583 O  O   . HOH E 5 .   ? -32.942 1.076   -33.604 1.00 22.98 ? 302 HOH B O   1 
HETATM 1584 O  O   . HOH E 5 .   ? -47.117 -16.975 -31.702 1.00 23.98 ? 303 HOH B O   1 
HETATM 1585 O  O   . HOH E 5 .   ? -32.307 4.726   -33.038 1.00 25.27 ? 304 HOH B O   1 
HETATM 1586 O  O   . HOH E 5 .   ? -38.514 -7.623  -10.753 1.00 17.19 ? 305 HOH B O   1 
HETATM 1587 O  O   . HOH E 5 .   ? -47.075 1.288   -25.579 1.00 35.61 ? 306 HOH B O   1 
HETATM 1588 O  O   . HOH E 5 .   ? -38.707 -2.520  -21.386 1.00 16.72 ? 307 HOH B O   1 
HETATM 1589 O  O   . HOH E 5 .   ? -40.668 -14.464 -8.463  1.00 29.86 ? 308 HOH B O   1 
HETATM 1590 O  O   . HOH E 5 .   ? -36.267 -1.814  -33.862 1.00 20.68 ? 309 HOH B O   1 
HETATM 1591 O  O   . HOH E 5 .   ? -40.309 -14.384 -31.354 1.00 15.83 ? 310 HOH B O   1 
HETATM 1592 O  O   . HOH E 5 .   ? -36.469 -0.960  -22.127 1.00 14.95 ? 311 HOH B O   1 
HETATM 1593 O  O   . HOH E 5 .   ? -37.002 0.845   -15.573 1.00 18.15 ? 312 HOH B O   1 
HETATM 1594 O  O   . HOH E 5 .   ? -45.735 -19.665 -31.607 1.00 29.61 ? 313 HOH B O   1 
HETATM 1595 O  O   . HOH E 5 .   ? -41.275 -8.493  -13.381 1.00 22.61 ? 314 HOH B O   1 
HETATM 1596 O  O   . HOH E 5 .   ? -32.265 -4.984  -12.944 1.00 15.02 ? 315 HOH B O   1 
HETATM 1597 O  O   . HOH E 5 .   ? -39.881 2.717   -16.114 1.00 18.25 ? 316 HOH B O   1 
HETATM 1598 O  O   . HOH E 5 .   ? -39.947 -11.520 -22.734 1.00 31.52 ? 317 HOH B O   1 
HETATM 1599 O  O   . HOH E 5 .   ? -41.254 5.491   -28.520 1.00 29.53 ? 318 HOH B O   1 
HETATM 1600 O  O   . HOH E 5 .   ? -34.217 -7.172  -7.906  1.00 31.86 ? 319 HOH B O   1 
# 
