data_7HNB
# 
_entry.id   7HNB 
# 
_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   7HNB         pdb_00007hnb 10.2210/pdb7hnb/pdb 
WWPDB D_1001407689 ?            ?                   
# 
_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                        7HNB 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-04 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.SG_entry                        ? 
_pdbx_database_status.pdb_format_compatible           Y 
_pdbx_database_status.methods_development_category    ? 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.email              knapp@pharmchem.uni-frankfurt.de 
_pdbx_contact_author.name_first         Stefan 
_pdbx_contact_author.name_last          Knapp 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-5995-6494 
_pdbx_contact_author.name_mi            ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Kim, Y.'                              1 
'Marples, P.'                          2 
'Fearon, D.'                           3 
'von Delft, F.'                        4 
'Knapp, S.'                            5 
'Kraemer, A.'                          6 
'Structural Genomics Consortium (SGC)' 7 
# 
_citation.id                        primary 
_citation.title                     'PanDDA analysis group deposition' 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_volume            ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.year                      ? 
_citation.journal_id_ASTM           ? 
_citation.country                   ? 
_citation.journal_id_ISSN           ? 
_citation.journal_id_CSD            0353 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_DOI      ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.identifier_ORCID 
_citation_author.ordinal 
primary 'Kim, Y.'                              ? 1 
primary 'Marples, P.'                          ? 2 
primary 'Fearon, D.'                           ? 3 
primary 'von Delft, F.'                        ? 4 
primary 'Knapp, S.'                            ? 5 
primary 'Kraemer, A.'                          ? 6 
primary 'Structural Genomics Consortium (SGC)' ? 7 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'E3 ubiquitin-protein ligase TRIM21' 21596.361 1   2.3.2.27 ? ? ? 
2 non-polymer syn N-Benzyl-2-methoxyacetamide          179.216   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    140 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;52 kDa Ro protein,52 kDa ribonucleoprotein autoantigen Ro/SS-A,Ro(SS-A),Sjoegren syndrome type A antigen,SS-A,Tripartite motif-containing protein 21
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_strand_id                 B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 N-Benzyl-2-methoxyacetamide T9Q 
3 1,2-ETHANEDIOL              EDO 
4 'SULFATE ION'               SO4 
5 water                       HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   HIS n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   MET n 
1 9   VAL n 
1 10  HIS n 
1 11  ILE n 
1 12  THR n 
1 13  LEU n 
1 14  ASP n 
1 15  ARG n 
1 16  ASN n 
1 17  THR n 
1 18  ALA n 
1 19  ASN n 
1 20  SER n 
1 21  TRP n 
1 22  LEU n 
1 23  ILE n 
1 24  ILE n 
1 25  SER n 
1 26  LYS n 
1 27  ASP n 
1 28  ARG n 
1 29  ARG n 
1 30  GLN n 
1 31  VAL n 
1 32  ARG n 
1 33  MET n 
1 34  GLY n 
1 35  ASP n 
1 36  THR n 
1 37  HIS n 
1 38  GLN n 
1 39  ASN n 
1 40  VAL n 
1 41  SER n 
1 42  ASP n 
1 43  ASN n 
1 44  LYS n 
1 45  GLU n 
1 46  ARG n 
1 47  PHE n 
1 48  SER n 
1 49  ASN n 
1 50  TYR n 
1 51  PRO n 
1 52  MET n 
1 53  VAL n 
1 54  LEU n 
1 55  GLY n 
1 56  ALA n 
1 57  GLN n 
1 58  ARG n 
1 59  PHE n 
1 60  SER n 
1 61  SER n 
1 62  GLY n 
1 63  LYS n 
1 64  MET n 
1 65  TYR n 
1 66  TRP n 
1 67  GLU n 
1 68  VAL n 
1 69  ASP n 
1 70  VAL n 
1 71  THR n 
1 72  GLN n 
1 73  LYS n 
1 74  GLU n 
1 75  ALA n 
1 76  TRP n 
1 77  ASP n 
1 78  LEU n 
1 79  GLY n 
1 80  VAL n 
1 81  CYS n 
1 82  ARG n 
1 83  ASP n 
1 84  SER n 
1 85  VAL n 
1 86  GLN n 
1 87  ARG n 
1 88  LYS n 
1 89  GLY n 
1 90  GLN n 
1 91  PHE n 
1 92  SER n 
1 93  LEU n 
1 94  SER n 
1 95  PRO n 
1 96  GLU n 
1 97  ASN n 
1 98  GLY n 
1 99  PHE n 
1 100 TRP n 
1 101 THR n 
1 102 ILE n 
1 103 TRP n 
1 104 LEU n 
1 105 TRP n 
1 106 GLN n 
1 107 ASP n 
1 108 SER n 
1 109 TYR n 
1 110 GLU n 
1 111 ALA n 
1 112 GLY n 
1 113 THR n 
1 114 SER n 
1 115 PRO n 
1 116 GLN n 
1 117 THR n 
1 118 THR n 
1 119 LEU n 
1 120 HIS n 
1 121 ILE n 
1 122 GLN n 
1 123 VAL n 
1 124 PRO n 
1 125 PRO n 
1 126 CYS n 
1 127 GLN n 
1 128 ILE n 
1 129 GLY n 
1 130 ILE n 
1 131 PHE n 
1 132 VAL n 
1 133 ASP n 
1 134 TYR n 
1 135 GLU n 
1 136 ALA n 
1 137 GLY n 
1 138 VAL n 
1 139 VAL n 
1 140 SER n 
1 141 PHE n 
1 142 TYR n 
1 143 ASN n 
1 144 ILE n 
1 145 THR n 
1 146 ASP n 
1 147 HIS n 
1 148 GLY n 
1 149 SER n 
1 150 LEU n 
1 151 ILE n 
1 152 TYR n 
1 153 THR n 
1 154 PHE n 
1 155 SER n 
1 156 GLU n 
1 157 CYS n 
1 158 VAL n 
1 159 PHE n 
1 160 ALA n 
1 161 GLY n 
1 162 PRO n 
1 163 LEU n 
1 164 ARG n 
1 165 PRO n 
1 166 PHE n 
1 167 PHE n 
1 168 ASN n 
1 169 VAL n 
1 170 GLY n 
1 171 PHE n 
1 172 ASN n 
1 173 TYR n 
1 174 SER n 
1 175 GLY n 
1 176 GLY n 
1 177 ASN n 
1 178 ALA n 
1 179 ALA n 
1 180 PRO n 
1 181 LEU n 
1 182 LYS n 
1 183 LEU n 
1 184 CYS n 
1 185 PRO n 
1 186 LEU n 
1 187 LYS n 
1 188 MET n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   188 
_entity_src_gen.gene_src_common_name               'house mouse' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'Trim21, Ro52, Ssa1' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE                     ?                                         'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE                    ?                                         'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE                  ?                                         'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'             ?                                         'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE                    ?                                         'C3 H7 N O2 S'   121.158 
EDO non-polymer         . 1,2-ETHANEDIOL              'ETHYLENE GLYCOL'                         'C2 H6 O2'       62.068  
GLN 'L-peptide linking' y GLUTAMINE                   ?                                         'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'             ?                                         'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE                     ?                                         'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE                   ?                                         'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER                       ?                                         'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE                  ?                                         'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE                     ?                                         'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE                      ?                                         'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE                  ?                                         'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE               ?                                         'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE                     ?                                         'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE                      ?                                         'C3 H7 N O3'     105.093 
SO4 non-polymer         . 'SULFATE ION'               ?                                         'O4 S -2'        96.063  
T9Q non-polymer         . N-Benzyl-2-methoxyacetamide '2-methoxy-~{N}-(phenylmethyl)ethanamide' 'C10 H13 N O2'   179.216 
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        T9Q 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   T9Q 
_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 T9Q 1   201 302 T9Q LIG B . 
C 3 EDO 1   202 305 EDO EDO B . 
D 4 SO4 1   203 1   SO4 SO4 B . 
E 5 HOH 1   301 11  HOH HOH B . 
E 5 HOH 2   302 29  HOH HOH B . 
E 5 HOH 3   303 26  HOH HOH B . 
E 5 HOH 4   304 2   HOH HOH B . 
E 5 HOH 5   305 85  HOH HOH B . 
E 5 HOH 6   306 107 HOH HOH B . 
E 5 HOH 7   307 40  HOH HOH B . 
E 5 HOH 8   308 99  HOH HOH B . 
E 5 HOH 9   309 1   HOH HOH B . 
E 5 HOH 10  310 9   HOH HOH B . 
E 5 HOH 11  311 16  HOH HOH B . 
E 5 HOH 12  312 33  HOH HOH B . 
E 5 HOH 13  313 10  HOH HOH B . 
E 5 HOH 14  314 281 HOH HOH B . 
E 5 HOH 15  315 63  HOH HOH B . 
E 5 HOH 16  316 214 HOH HOH B . 
E 5 HOH 17  317 5   HOH HOH B . 
E 5 HOH 18  318 39  HOH HOH B . 
E 5 HOH 19  319 51  HOH HOH B . 
E 5 HOH 20  320 21  HOH HOH B . 
E 5 HOH 21  321 90  HOH HOH B . 
E 5 HOH 22  322 34  HOH HOH B . 
E 5 HOH 23  323 95  HOH HOH B . 
E 5 HOH 24  324 89  HOH HOH B . 
E 5 HOH 25  325 36  HOH HOH B . 
E 5 HOH 26  326 102 HOH HOH B . 
E 5 HOH 27  327 62  HOH HOH B . 
E 5 HOH 28  328 15  HOH HOH B . 
E 5 HOH 29  329 27  HOH HOH B . 
E 5 HOH 30  330 18  HOH HOH B . 
E 5 HOH 31  331 11  HOH HOH B . 
E 5 HOH 32  332 267 HOH HOH B . 
E 5 HOH 33  333 27  HOH HOH B . 
E 5 HOH 34  334 19  HOH HOH B . 
E 5 HOH 35  335 70  HOH HOH B . 
E 5 HOH 36  336 22  HOH HOH B . 
E 5 HOH 37  337 86  HOH HOH B . 
E 5 HOH 38  338 211 HOH HOH B . 
E 5 HOH 39  339 32  HOH HOH B . 
E 5 HOH 40  340 58  HOH HOH B . 
E 5 HOH 41  341 43  HOH HOH B . 
E 5 HOH 42  342 26  HOH HOH B . 
E 5 HOH 43  343 72  HOH HOH B . 
E 5 HOH 44  344 20  HOH HOH B . 
E 5 HOH 45  345 2   HOH HOH B . 
E 5 HOH 46  346 16  HOH HOH B . 
E 5 HOH 47  347 3   HOH HOH B . 
E 5 HOH 48  348 4   HOH HOH B . 
E 5 HOH 49  349 81  HOH HOH B . 
E 5 HOH 50  350 80  HOH HOH B . 
E 5 HOH 51  351 137 HOH HOH B . 
E 5 HOH 52  352 55  HOH HOH B . 
E 5 HOH 53  353 50  HOH HOH B . 
E 5 HOH 54  354 68  HOH HOH B . 
E 5 HOH 55  355 31  HOH HOH B . 
E 5 HOH 56  356 29  HOH HOH B . 
E 5 HOH 57  357 93  HOH HOH B . 
E 5 HOH 58  358 71  HOH HOH B . 
E 5 HOH 59  359 7   HOH HOH B . 
E 5 HOH 60  360 10  HOH HOH B . 
E 5 HOH 61  361 47  HOH HOH B . 
E 5 HOH 62  362 6   HOH HOH B . 
E 5 HOH 63  363 59  HOH HOH B . 
E 5 HOH 64  364 157 HOH HOH B . 
E 5 HOH 65  365 64  HOH HOH B . 
E 5 HOH 66  366 100 HOH HOH B . 
E 5 HOH 67  367 76  HOH HOH B . 
E 5 HOH 68  368 14  HOH HOH B . 
E 5 HOH 69  369 4   HOH HOH B . 
E 5 HOH 70  370 61  HOH HOH B . 
E 5 HOH 71  371 1   HOH HOH B . 
E 5 HOH 72  372 32  HOH HOH B . 
E 5 HOH 73  373 28  HOH HOH B . 
E 5 HOH 74  374 8   HOH HOH B . 
E 5 HOH 75  375 172 HOH HOH B . 
E 5 HOH 76  376 184 HOH HOH B . 
E 5 HOH 77  377 49  HOH HOH B . 
E 5 HOH 78  378 5   HOH HOH B . 
E 5 HOH 79  379 42  HOH HOH B . 
E 5 HOH 80  380 126 HOH HOH B . 
E 5 HOH 81  381 303 HOH HOH B . 
E 5 HOH 82  382 12  HOH HOH B . 
E 5 HOH 83  383 17  HOH HOH B . 
E 5 HOH 84  384 13  HOH HOH B . 
E 5 HOH 85  385 263 HOH HOH B . 
E 5 HOH 86  386 33  HOH HOH B . 
E 5 HOH 87  387 48  HOH HOH B . 
E 5 HOH 88  388 46  HOH HOH B . 
E 5 HOH 89  389 3   HOH HOH B . 
E 5 HOH 90  390 45  HOH HOH B . 
E 5 HOH 91  391 23  HOH HOH B . 
E 5 HOH 92  392 24  HOH HOH B . 
E 5 HOH 93  393 60  HOH HOH B . 
E 5 HOH 94  394 97  HOH HOH B . 
E 5 HOH 95  395 20  HOH HOH B . 
E 5 HOH 96  396 54  HOH HOH B . 
E 5 HOH 97  397 57  HOH HOH B . 
E 5 HOH 98  398 8   HOH HOH B . 
E 5 HOH 99  399 7   HOH HOH B . 
E 5 HOH 100 400 103 HOH HOH B . 
E 5 HOH 101 401 112 HOH HOH B . 
E 5 HOH 102 402 56  HOH HOH B . 
E 5 HOH 103 403 25  HOH HOH B . 
E 5 HOH 104 404 156 HOH HOH B . 
E 5 HOH 105 405 69  HOH HOH B . 
E 5 HOH 106 406 22  HOH HOH B . 
E 5 HOH 107 407 120 HOH HOH B . 
E 5 HOH 108 408 38  HOH HOH B . 
E 5 HOH 109 409 125 HOH HOH B . 
E 5 HOH 110 410 140 HOH HOH B . 
E 5 HOH 111 411 257 HOH HOH B . 
E 5 HOH 112 412 41  HOH HOH B . 
E 5 HOH 113 413 30  HOH HOH B . 
E 5 HOH 114 414 15  HOH HOH B . 
E 5 HOH 115 415 304 HOH HOH B . 
E 5 HOH 116 416 53  HOH HOH B . 
E 5 HOH 117 417 197 HOH HOH B . 
E 5 HOH 118 418 44  HOH HOH B . 
E 5 HOH 119 419 73  HOH HOH B . 
E 5 HOH 120 420 154 HOH HOH B . 
E 5 HOH 121 421 18  HOH HOH B . 
E 5 HOH 122 422 133 HOH HOH B . 
E 5 HOH 123 423 19  HOH HOH B . 
E 5 HOH 124 424 30  HOH HOH B . 
E 5 HOH 125 425 266 HOH HOH B . 
E 5 HOH 126 426 115 HOH HOH B . 
E 5 HOH 127 427 114 HOH HOH B . 
E 5 HOH 128 428 205 HOH HOH B . 
E 5 HOH 129 429 21  HOH HOH B . 
E 5 HOH 130 430 13  HOH HOH B . 
E 5 HOH 131 431 82  HOH HOH B . 
E 5 HOH 132 432 23  HOH HOH B . 
E 5 HOH 133 433 104 HOH HOH B . 
E 5 HOH 134 434 166 HOH HOH B . 
E 5 HOH 135 435 127 HOH HOH B . 
E 5 HOH 136 436 98  HOH HOH B . 
E 5 HOH 137 437 14  HOH HOH B . 
E 5 HOH 138 438 270 HOH HOH B . 
E 5 HOH 139 439 131 HOH HOH B . 
E 5 HOH 140 440 259 HOH HOH B . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 B LEU 192 ? CG  ? A LEU 186 CG  
2 1 Y 1 B LEU 192 ? CD1 ? A LEU 186 CD1 
3 1 Y 1 B LEU 192 ? CD2 ? A LEU 186 CD2 
# 
loop_
_software.pdbx_ordinal 
_software.name 
_software.version 
_software.date 
_software.type 
_software.contact_author 
_software.contact_author_email 
_software.classification 
_software.location 
_software.language 
_software.citation_id 
1 REFMAC      5.8.0267 ?               program 'Garib N. Murshudov' garib@ysbl.york.ac.uk    refinement        
http://www.ccp4.ac.uk/dist/html/refmac5.html        Fortran_77 ? 
2 Aimless     0.7.15   02/11/23        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           7HNB 
_cell.length_a           95.511 
_cell.length_b           95.511 
_cell.length_c           45.901 
_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                         7HNB 
_symmetry.Int_Tables_number                79 
_symmetry.space_group_name_H-M             'I 4' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
# 
_exptl.crystals_number   1 
_exptl.entry_id          7HNB 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.050 
_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   49.25 
_exptl_crystal.size_max              ? 
_exptl_crystal.size_mid              ? 
_exptl_crystal.size_min              ? 
_exptl_crystal.size_rad              ? 
_exptl_crystal.description           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.pH              8 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.pdbx_details    '4 % PEG 400, 2 M AmmSO4, 0.1 M HEPES pH 8' 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           100 
_diffrn.crystal_id             1 
_diffrn.ambient_temp_details   ? 
# 
_diffrn_detector.detector               PIXEL 
_diffrn_detector.type                   'DECTRIS EIGER2 XE 9M' 
_diffrn_detector.pdbx_collection_date   2024-07-04 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.92134 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'DIAMOND BEAMLINE I04-1' 
_diffrn_source.pdbx_wavelength_list        0.92134 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HNB 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             47.760 
_reflns.d_resolution_high            1.520 
_reflns.number_obs                   32043 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         100.000 
_reflns.pdbx_Rmerge_I_obs            0.175 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        8.900 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              13.500 
_reflns.pdbx_Rrim_I_all              0.182 
_reflns.pdbx_Rpim_I_all              0.049 
_reflns.pdbx_CC_half                 0.998 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     431204 
_reflns.pdbx_scaling_rejects         101 
_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 1.520 1.600  ? 52050 4617 ? 3.289 ? ? ? 11.300 ? 0.700  ? ? ? ? ? ? 100.000 3.447 1.023 0.407 
1 2 4.800 47.760 ? 13573 1063 ? 0.055 ? ? ? 12.800 ? 34.200 ? ? ? ? ? ? 99.800  0.057 0.016 0.999 
# 
_refine.entry_id                                 7HNB 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.5200 
_refine.ls_d_res_low                             47.8000 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    99.9300 
_refine.ls_number_reflns_obs                     30488 
_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                          0.1822 
_refine.ls_R_factor_R_work                       0.1808 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.2083 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.8000 
_refine.ls_number_reflns_R_free                  1546 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               20.3260 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.3400 
_refine.aniso_B[2][2]                            0.3400 
_refine.aniso_B[3][3]                            -0.6900 
_refine.aniso_B[1][2]                            -0.0000 
_refine.aniso_B[1][3]                            -0.0000 
_refine.aniso_B[2][3]                            -0.0000 
_refine.correlation_coeff_Fo_to_Fc               0.9680 
_refine.correlation_coeff_Fo_to_Fc_free          0.9550 
_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                       0.0830 
_refine.pdbx_overall_ESU_R_Free                  0.0820 
_refine.overall_SU_ML                            0.0680 
_refine.overall_SU_B                             2.0210 
_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                                81.450 
_refine.B_iso_min                                12.070 
_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                       1.5200 
_refine_hist.d_res_low                        47.8000 
_refine_hist.pdbx_number_atoms_ligand         22 
_refine_hist.number_atoms_solvent             140 
_refine_hist.number_atoms_total               1655 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           36.09 
_refine_hist.pdbx_B_iso_mean_solvent          31.71 
_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       2123 0.010  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1686 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2612 1.611  1.640  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3884 1.388  1.580  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 247  7.068  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 118  27.987 20.424 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 297  12.766 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 18   18.408 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         223  0.074  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2348 0.009  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     540  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            1011 1.499  1.896  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         1001 1.477  1.875  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1183 2.336  2.813  ? ? 
# 
_refine_ls_shell.d_res_high                       1.5190 
_refine_ls_shell.d_res_low                        1.5590 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               99.5400 
_refine_ls_shell.number_reflns_R_work             2255 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3290 
_refine_ls_shell.R_factor_R_free                  0.3280 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             101 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                2356 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HNB 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z31478538' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HNB 
_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              7HNB 
_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 7HNB MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HNB HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HNB HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HNB HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HNB HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HNB HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HNB HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HNB 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       -2.98 
# 
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 VAL A 139 ? N VAL B 145 O PHE A 154 ? O PHE B 160 
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 LEU A 78  ? N LEU B 84  O ILE A 102 ? O ILE B 108 
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                   7HNB 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             CG 
_pdbx_validate_rmsd_angle.auth_asym_id_1             B 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_1              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CD 
_pdbx_validate_rmsd_angle.auth_asym_id_2             B 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_2              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             NE 
_pdbx_validate_rmsd_angle.auth_asym_id_3             B 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_3              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                124.76 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            12.96 
_pdbx_validate_rmsd_angle.angle_standard_deviation   2.10 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    ASP 
_pdbx_validate_torsion.auth_asym_id    B 
_pdbx_validate_torsion.auth_seq_id     152 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -102.53 
_pdbx_validate_torsion.psi             54.22 
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    B 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     427 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   E 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
_phasing.method   MR 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 B MET 7   ? A MET 1   
2 1 Y 1 B LYS 193 ? A LYS 187 
3 1 Y 1 B MET 194 ? A MET 188 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
EDO C1   C N N 88  
EDO O1   O N N 89  
EDO C2   C N N 90  
EDO O2   O N N 91  
EDO H11  H N N 92  
EDO H12  H N N 93  
EDO HO1  H N N 94  
EDO H21  H N N 95  
EDO H22  H N N 96  
EDO HO2  H N N 97  
GLN N    N N N 98  
GLN CA   C N S 99  
GLN C    C N N 100 
GLN O    O N N 101 
GLN CB   C N N 102 
GLN CG   C N N 103 
GLN CD   C N N 104 
GLN OE1  O N N 105 
GLN NE2  N N N 106 
GLN OXT  O N N 107 
GLN H    H N N 108 
GLN H2   H N N 109 
GLN HA   H N N 110 
GLN HB2  H N N 111 
GLN HB3  H N N 112 
GLN HG2  H N N 113 
GLN HG3  H N N 114 
GLN HE21 H N N 115 
GLN HE22 H N N 116 
GLN HXT  H N N 117 
GLU N    N N N 118 
GLU CA   C N S 119 
GLU C    C N N 120 
GLU O    O N N 121 
GLU CB   C N N 122 
GLU CG   C N N 123 
GLU CD   C N N 124 
GLU OE1  O N N 125 
GLU OE2  O N N 126 
GLU OXT  O N N 127 
GLU H    H N N 128 
GLU H2   H N N 129 
GLU HA   H N N 130 
GLU HB2  H N N 131 
GLU HB3  H N N 132 
GLU HG2  H N N 133 
GLU HG3  H N N 134 
GLU HE2  H N N 135 
GLU HXT  H N N 136 
GLY N    N N N 137 
GLY CA   C N N 138 
GLY C    C N N 139 
GLY O    O N N 140 
GLY OXT  O N N 141 
GLY H    H N N 142 
GLY H2   H N N 143 
GLY HA2  H N N 144 
GLY HA3  H N N 145 
GLY HXT  H N N 146 
HIS N    N N N 147 
HIS CA   C N S 148 
HIS C    C N N 149 
HIS O    O N N 150 
HIS CB   C N N 151 
HIS CG   C Y N 152 
HIS ND1  N Y N 153 
HIS CD2  C Y N 154 
HIS CE1  C Y N 155 
HIS NE2  N Y N 156 
HIS OXT  O N N 157 
HIS H    H N N 158 
HIS H2   H N N 159 
HIS HA   H N N 160 
HIS HB2  H N N 161 
HIS HB3  H N N 162 
HIS HD1  H N N 163 
HIS HD2  H N N 164 
HIS HE1  H N N 165 
HIS HE2  H N N 166 
HIS HXT  H N N 167 
HOH O    O N N 168 
HOH H1   H N N 169 
HOH H2   H N N 170 
ILE N    N N N 171 
ILE CA   C N S 172 
ILE C    C N N 173 
ILE O    O N N 174 
ILE CB   C N S 175 
ILE CG1  C N N 176 
ILE CG2  C N N 177 
ILE CD1  C N N 178 
ILE OXT  O N N 179 
ILE H    H N N 180 
ILE H2   H N N 181 
ILE HA   H N N 182 
ILE HB   H N N 183 
ILE HG12 H N N 184 
ILE HG13 H N N 185 
ILE HG21 H N N 186 
ILE HG22 H N N 187 
ILE HG23 H N N 188 
ILE HD11 H N N 189 
ILE HD12 H N N 190 
ILE HD13 H N N 191 
ILE HXT  H N N 192 
LEU N    N N N 193 
LEU CA   C N S 194 
LEU C    C N N 195 
LEU O    O N N 196 
LEU CB   C N N 197 
LEU CG   C N N 198 
LEU CD1  C N N 199 
LEU CD2  C N N 200 
LEU OXT  O N N 201 
LEU H    H N N 202 
LEU H2   H N N 203 
LEU HA   H N N 204 
LEU HB2  H N N 205 
LEU HB3  H N N 206 
LEU HG   H N N 207 
LEU HD11 H N N 208 
LEU HD12 H N N 209 
LEU HD13 H N N 210 
LEU HD21 H N N 211 
LEU HD22 H N N 212 
LEU HD23 H N N 213 
LEU HXT  H N N 214 
LYS N    N N N 215 
LYS CA   C N S 216 
LYS C    C N N 217 
LYS O    O N N 218 
LYS CB   C N N 219 
LYS CG   C N N 220 
LYS CD   C N N 221 
LYS CE   C N N 222 
LYS NZ   N N N 223 
LYS OXT  O N N 224 
LYS H    H N N 225 
LYS H2   H N N 226 
LYS HA   H N N 227 
LYS HB2  H N N 228 
LYS HB3  H N N 229 
LYS HG2  H N N 230 
LYS HG3  H N N 231 
LYS HD2  H N N 232 
LYS HD3  H N N 233 
LYS HE2  H N N 234 
LYS HE3  H N N 235 
LYS HZ1  H N N 236 
LYS HZ2  H N N 237 
LYS HZ3  H N N 238 
LYS HXT  H N N 239 
MET N    N N N 240 
MET CA   C N S 241 
MET C    C N N 242 
MET O    O N N 243 
MET CB   C N N 244 
MET CG   C N N 245 
MET SD   S N N 246 
MET CE   C N N 247 
MET OXT  O N N 248 
MET H    H N N 249 
MET H2   H N N 250 
MET HA   H N N 251 
MET HB2  H N N 252 
MET HB3  H N N 253 
MET HG2  H N N 254 
MET HG3  H N N 255 
MET HE1  H N N 256 
MET HE2  H N N 257 
MET HE3  H N N 258 
MET HXT  H N N 259 
PHE N    N N N 260 
PHE CA   C N S 261 
PHE C    C N N 262 
PHE O    O N N 263 
PHE CB   C N N 264 
PHE CG   C Y N 265 
PHE CD1  C Y N 266 
PHE CD2  C Y N 267 
PHE CE1  C Y N 268 
PHE CE2  C Y N 269 
PHE CZ   C Y N 270 
PHE OXT  O N N 271 
PHE H    H N N 272 
PHE H2   H N N 273 
PHE HA   H N N 274 
PHE HB2  H N N 275 
PHE HB3  H N N 276 
PHE HD1  H N N 277 
PHE HD2  H N N 278 
PHE HE1  H N N 279 
PHE HE2  H N N 280 
PHE HZ   H N N 281 
PHE HXT  H N N 282 
PRO N    N N N 283 
PRO CA   C N S 284 
PRO C    C N N 285 
PRO O    O N N 286 
PRO CB   C N N 287 
PRO CG   C N N 288 
PRO CD   C N N 289 
PRO OXT  O N N 290 
PRO H    H N N 291 
PRO HA   H N N 292 
PRO HB2  H N N 293 
PRO HB3  H N N 294 
PRO HG2  H N N 295 
PRO HG3  H N N 296 
PRO HD2  H N N 297 
PRO HD3  H N N 298 
PRO HXT  H N N 299 
SER N    N N N 300 
SER CA   C N S 301 
SER C    C N N 302 
SER O    O N N 303 
SER CB   C N N 304 
SER OG   O N N 305 
SER OXT  O N N 306 
SER H    H N N 307 
SER H2   H N N 308 
SER HA   H N N 309 
SER HB2  H N N 310 
SER HB3  H N N 311 
SER HG   H N N 312 
SER HXT  H N N 313 
SO4 S    S N N 314 
SO4 O1   O N N 315 
SO4 O2   O N N 316 
SO4 O3   O N N 317 
SO4 O4   O N N 318 
T9Q C10  C Y N 319 
T9Q C13  C Y N 320 
T9Q C01  C N N 321 
T9Q C03  C N N 322 
T9Q C04  C N N 323 
T9Q C07  C N N 324 
T9Q C08  C Y N 325 
T9Q C09  C Y N 326 
T9Q C11  C Y N 327 
T9Q C12  C Y N 328 
T9Q N06  N N N 329 
T9Q O02  O N N 330 
T9Q O05  O N N 331 
T9Q H1   H N N 332 
T9Q H2   H N N 333 
T9Q H3   H N N 334 
T9Q H4   H N N 335 
T9Q H5   H N N 336 
T9Q H6   H N N 337 
T9Q H7   H N N 338 
T9Q H8   H N N 339 
T9Q H9   H N N 340 
T9Q H10  H N N 341 
T9Q H11  H N N 342 
T9Q H12  H N N 343 
T9Q H13  H N N 344 
THR N    N N N 345 
THR CA   C N S 346 
THR C    C N N 347 
THR O    O N N 348 
THR CB   C N R 349 
THR OG1  O N N 350 
THR CG2  C N N 351 
THR OXT  O N N 352 
THR H    H N N 353 
THR H2   H N N 354 
THR HA   H N N 355 
THR HB   H N N 356 
THR HG1  H N N 357 
THR HG21 H N N 358 
THR HG22 H N N 359 
THR HG23 H N N 360 
THR HXT  H N N 361 
TRP N    N N N 362 
TRP CA   C N S 363 
TRP C    C N N 364 
TRP O    O N N 365 
TRP CB   C N N 366 
TRP CG   C Y N 367 
TRP CD1  C Y N 368 
TRP CD2  C Y N 369 
TRP NE1  N Y N 370 
TRP CE2  C Y N 371 
TRP CE3  C Y N 372 
TRP CZ2  C Y N 373 
TRP CZ3  C Y N 374 
TRP CH2  C Y N 375 
TRP OXT  O N N 376 
TRP H    H N N 377 
TRP H2   H N N 378 
TRP HA   H N N 379 
TRP HB2  H N N 380 
TRP HB3  H N N 381 
TRP HD1  H N N 382 
TRP HE1  H N N 383 
TRP HE3  H N N 384 
TRP HZ2  H N N 385 
TRP HZ3  H N N 386 
TRP HH2  H N N 387 
TRP HXT  H N N 388 
TYR N    N N N 389 
TYR CA   C N S 390 
TYR C    C N N 391 
TYR O    O N N 392 
TYR CB   C N N 393 
TYR CG   C Y N 394 
TYR CD1  C Y N 395 
TYR CD2  C Y N 396 
TYR CE1  C Y N 397 
TYR CE2  C Y N 398 
TYR CZ   C Y N 399 
TYR OH   O N N 400 
TYR OXT  O N N 401 
TYR H    H N N 402 
TYR H2   H N N 403 
TYR HA   H N N 404 
TYR HB2  H N N 405 
TYR HB3  H N N 406 
TYR HD1  H N N 407 
TYR HD2  H N N 408 
TYR HE1  H N N 409 
TYR HE2  H N N 410 
TYR HH   H N N 411 
TYR HXT  H N N 412 
VAL N    N N N 413 
VAL CA   C N S 414 
VAL C    C N N 415 
VAL O    O N N 416 
VAL CB   C N N 417 
VAL CG1  C N N 418 
VAL CG2  C N N 419 
VAL OXT  O N N 420 
VAL H    H N N 421 
VAL H2   H N N 422 
VAL HA   H N N 423 
VAL HB   H N N 424 
VAL HG11 H N N 425 
VAL HG12 H N N 426 
VAL HG13 H N N 427 
VAL HG21 H N N 428 
VAL HG22 H N N 429 
VAL HG23 H N N 430 
VAL HXT  H N N 431 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
EDO C1  O1   sing N N 83  
EDO C1  C2   sing N N 84  
EDO C1  H11  sing N N 85  
EDO C1  H12  sing N N 86  
EDO O1  HO1  sing N N 87  
EDO C2  O2   sing N N 88  
EDO C2  H21  sing N N 89  
EDO C2  H22  sing N N 90  
EDO O2  HO2  sing N N 91  
GLN N   CA   sing N N 92  
GLN N   H    sing N N 93  
GLN N   H2   sing N N 94  
GLN CA  C    sing N N 95  
GLN CA  CB   sing N N 96  
GLN CA  HA   sing N N 97  
GLN C   O    doub N N 98  
GLN C   OXT  sing N N 99  
GLN CB  CG   sing N N 100 
GLN CB  HB2  sing N N 101 
GLN CB  HB3  sing N N 102 
GLN CG  CD   sing N N 103 
GLN CG  HG2  sing N N 104 
GLN CG  HG3  sing N N 105 
GLN CD  OE1  doub N N 106 
GLN CD  NE2  sing N N 107 
GLN NE2 HE21 sing N N 108 
GLN NE2 HE22 sing N N 109 
GLN OXT HXT  sing N N 110 
GLU N   CA   sing N N 111 
GLU N   H    sing N N 112 
GLU N   H2   sing N N 113 
GLU CA  C    sing N N 114 
GLU CA  CB   sing N N 115 
GLU CA  HA   sing N N 116 
GLU C   O    doub N N 117 
GLU C   OXT  sing N N 118 
GLU CB  CG   sing N N 119 
GLU CB  HB2  sing N N 120 
GLU CB  HB3  sing N N 121 
GLU CG  CD   sing N N 122 
GLU CG  HG2  sing N N 123 
GLU CG  HG3  sing N N 124 
GLU CD  OE1  doub N N 125 
GLU CD  OE2  sing N N 126 
GLU OE2 HE2  sing N N 127 
GLU OXT HXT  sing N N 128 
GLY N   CA   sing N N 129 
GLY N   H    sing N N 130 
GLY N   H2   sing N N 131 
GLY CA  C    sing N N 132 
GLY CA  HA2  sing N N 133 
GLY CA  HA3  sing N N 134 
GLY C   O    doub N N 135 
GLY C   OXT  sing N N 136 
GLY OXT HXT  sing N N 137 
HIS N   CA   sing N N 138 
HIS N   H    sing N N 139 
HIS N   H2   sing N N 140 
HIS CA  C    sing N N 141 
HIS CA  CB   sing N N 142 
HIS CA  HA   sing N N 143 
HIS C   O    doub N N 144 
HIS C   OXT  sing N N 145 
HIS CB  CG   sing N N 146 
HIS CB  HB2  sing N N 147 
HIS CB  HB3  sing N N 148 
HIS CG  ND1  sing Y N 149 
HIS CG  CD2  doub Y N 150 
HIS ND1 CE1  doub Y N 151 
HIS ND1 HD1  sing N N 152 
HIS CD2 NE2  sing Y N 153 
HIS CD2 HD2  sing N N 154 
HIS CE1 NE2  sing Y N 155 
HIS CE1 HE1  sing N N 156 
HIS NE2 HE2  sing N N 157 
HIS OXT HXT  sing N N 158 
HOH O   H1   sing N N 159 
HOH O   H2   sing N N 160 
ILE N   CA   sing N N 161 
ILE N   H    sing N N 162 
ILE N   H2   sing N N 163 
ILE CA  C    sing N N 164 
ILE CA  CB   sing N N 165 
ILE CA  HA   sing N N 166 
ILE C   O    doub N N 167 
ILE C   OXT  sing N N 168 
ILE CB  CG1  sing N N 169 
ILE CB  CG2  sing N N 170 
ILE CB  HB   sing N N 171 
ILE CG1 CD1  sing N N 172 
ILE CG1 HG12 sing N N 173 
ILE CG1 HG13 sing N N 174 
ILE CG2 HG21 sing N N 175 
ILE CG2 HG22 sing N N 176 
ILE CG2 HG23 sing N N 177 
ILE CD1 HD11 sing N N 178 
ILE CD1 HD12 sing N N 179 
ILE CD1 HD13 sing N N 180 
ILE OXT HXT  sing N N 181 
LEU N   CA   sing N N 182 
LEU N   H    sing N N 183 
LEU N   H2   sing N N 184 
LEU CA  C    sing N N 185 
LEU CA  CB   sing N N 186 
LEU CA  HA   sing N N 187 
LEU C   O    doub N N 188 
LEU C   OXT  sing N N 189 
LEU CB  CG   sing N N 190 
LEU CB  HB2  sing N N 191 
LEU CB  HB3  sing N N 192 
LEU CG  CD1  sing N N 193 
LEU CG  CD2  sing N N 194 
LEU CG  HG   sing N N 195 
LEU CD1 HD11 sing N N 196 
LEU CD1 HD12 sing N N 197 
LEU CD1 HD13 sing N N 198 
LEU CD2 HD21 sing N N 199 
LEU CD2 HD22 sing N N 200 
LEU CD2 HD23 sing N N 201 
LEU OXT HXT  sing N N 202 
LYS N   CA   sing N N 203 
LYS N   H    sing N N 204 
LYS N   H2   sing N N 205 
LYS CA  C    sing N N 206 
LYS CA  CB   sing N N 207 
LYS CA  HA   sing N N 208 
LYS C   O    doub N N 209 
LYS C   OXT  sing N N 210 
LYS CB  CG   sing N N 211 
LYS CB  HB2  sing N N 212 
LYS CB  HB3  sing N N 213 
LYS CG  CD   sing N N 214 
LYS CG  HG2  sing N N 215 
LYS CG  HG3  sing N N 216 
LYS CD  CE   sing N N 217 
LYS CD  HD2  sing N N 218 
LYS CD  HD3  sing N N 219 
LYS CE  NZ   sing N N 220 
LYS CE  HE2  sing N N 221 
LYS CE  HE3  sing N N 222 
LYS NZ  HZ1  sing N N 223 
LYS NZ  HZ2  sing N N 224 
LYS NZ  HZ3  sing N N 225 
LYS OXT HXT  sing N N 226 
MET N   CA   sing N N 227 
MET N   H    sing N N 228 
MET N   H2   sing N N 229 
MET CA  C    sing N N 230 
MET CA  CB   sing N N 231 
MET CA  HA   sing N N 232 
MET C   O    doub N N 233 
MET C   OXT  sing N N 234 
MET CB  CG   sing N N 235 
MET CB  HB2  sing N N 236 
MET CB  HB3  sing N N 237 
MET CG  SD   sing N N 238 
MET CG  HG2  sing N N 239 
MET CG  HG3  sing N N 240 
MET SD  CE   sing N N 241 
MET CE  HE1  sing N N 242 
MET CE  HE2  sing N N 243 
MET CE  HE3  sing N N 244 
MET OXT HXT  sing N N 245 
PHE N   CA   sing N N 246 
PHE N   H    sing N N 247 
PHE N   H2   sing N N 248 
PHE CA  C    sing N N 249 
PHE CA  CB   sing N N 250 
PHE CA  HA   sing N N 251 
PHE C   O    doub N N 252 
PHE C   OXT  sing N N 253 
PHE CB  CG   sing N N 254 
PHE CB  HB2  sing N N 255 
PHE CB  HB3  sing N N 256 
PHE CG  CD1  doub Y N 257 
PHE CG  CD2  sing Y N 258 
PHE CD1 CE1  sing Y N 259 
PHE CD1 HD1  sing N N 260 
PHE CD2 CE2  doub Y N 261 
PHE CD2 HD2  sing N N 262 
PHE CE1 CZ   doub Y N 263 
PHE CE1 HE1  sing N N 264 
PHE CE2 CZ   sing Y N 265 
PHE CE2 HE2  sing N N 266 
PHE CZ  HZ   sing N N 267 
PHE OXT HXT  sing N N 268 
PRO N   CA   sing N N 269 
PRO N   CD   sing N N 270 
PRO N   H    sing N N 271 
PRO CA  C    sing N N 272 
PRO CA  CB   sing N N 273 
PRO CA  HA   sing N N 274 
PRO C   O    doub N N 275 
PRO C   OXT  sing N N 276 
PRO CB  CG   sing N N 277 
PRO CB  HB2  sing N N 278 
PRO CB  HB3  sing N N 279 
PRO CG  CD   sing N N 280 
PRO CG  HG2  sing N N 281 
PRO CG  HG3  sing N N 282 
PRO CD  HD2  sing N N 283 
PRO CD  HD3  sing N N 284 
PRO OXT HXT  sing N N 285 
SER N   CA   sing N N 286 
SER N   H    sing N N 287 
SER N   H2   sing N N 288 
SER CA  C    sing N N 289 
SER CA  CB   sing N N 290 
SER CA  HA   sing N N 291 
SER C   O    doub N N 292 
SER C   OXT  sing N N 293 
SER CB  OG   sing N N 294 
SER CB  HB2  sing N N 295 
SER CB  HB3  sing N N 296 
SER OG  HG   sing N N 297 
SER OXT HXT  sing N N 298 
SO4 S   O1   doub N N 299 
SO4 S   O2   doub N N 300 
SO4 S   O3   sing N N 301 
SO4 S   O4   sing N N 302 
T9Q C12 C13  doub Y N 303 
T9Q C12 C11  sing Y N 304 
T9Q C13 C08  sing Y N 305 
T9Q C11 C10  doub Y N 306 
T9Q C08 C07  sing N N 307 
T9Q C08 C09  doub Y N 308 
T9Q C07 N06  sing N N 309 
T9Q N06 C04  sing N N 310 
T9Q O02 C03  sing N N 311 
T9Q O02 C01  sing N N 312 
T9Q O05 C04  doub N N 313 
T9Q C04 C03  sing N N 314 
T9Q C10 C09  sing Y N 315 
T9Q C10 H1   sing N N 316 
T9Q C13 H2   sing N N 317 
T9Q C01 H3   sing N N 318 
T9Q C01 H4   sing N N 319 
T9Q C01 H5   sing N N 320 
T9Q C03 H6   sing N N 321 
T9Q C03 H7   sing N N 322 
T9Q C07 H8   sing N N 323 
T9Q C07 H9   sing N N 324 
T9Q C09 H10  sing N N 325 
T9Q C11 H11  sing N N 326 
T9Q C12 H12  sing N N 327 
T9Q N06 H13  sing N N 328 
THR N   CA   sing N N 329 
THR N   H    sing N N 330 
THR N   H2   sing N N 331 
THR CA  C    sing N N 332 
THR CA  CB   sing N N 333 
THR CA  HA   sing N N 334 
THR C   O    doub N N 335 
THR C   OXT  sing N N 336 
THR CB  OG1  sing N N 337 
THR CB  CG2  sing N N 338 
THR CB  HB   sing N N 339 
THR OG1 HG1  sing N N 340 
THR CG2 HG21 sing N N 341 
THR CG2 HG22 sing N N 342 
THR CG2 HG23 sing N N 343 
THR OXT HXT  sing N N 344 
TRP N   CA   sing N N 345 
TRP N   H    sing N N 346 
TRP N   H2   sing N N 347 
TRP CA  C    sing N N 348 
TRP CA  CB   sing N N 349 
TRP CA  HA   sing N N 350 
TRP C   O    doub N N 351 
TRP C   OXT  sing N N 352 
TRP CB  CG   sing N N 353 
TRP CB  HB2  sing N N 354 
TRP CB  HB3  sing N N 355 
TRP CG  CD1  doub Y N 356 
TRP CG  CD2  sing Y N 357 
TRP CD1 NE1  sing Y N 358 
TRP CD1 HD1  sing N N 359 
TRP CD2 CE2  doub Y N 360 
TRP CD2 CE3  sing Y N 361 
TRP NE1 CE2  sing Y N 362 
TRP NE1 HE1  sing N N 363 
TRP CE2 CZ2  sing Y N 364 
TRP CE3 CZ3  doub Y N 365 
TRP CE3 HE3  sing N N 366 
TRP CZ2 CH2  doub Y N 367 
TRP CZ2 HZ2  sing N N 368 
TRP CZ3 CH2  sing Y N 369 
TRP CZ3 HZ3  sing N N 370 
TRP CH2 HH2  sing N N 371 
TRP OXT HXT  sing N N 372 
TYR N   CA   sing N N 373 
TYR N   H    sing N N 374 
TYR N   H2   sing N N 375 
TYR CA  C    sing N N 376 
TYR CA  CB   sing N N 377 
TYR CA  HA   sing N N 378 
TYR C   O    doub N N 379 
TYR C   OXT  sing N N 380 
TYR CB  CG   sing N N 381 
TYR CB  HB2  sing N N 382 
TYR CB  HB3  sing N N 383 
TYR CG  CD1  doub Y N 384 
TYR CG  CD2  sing Y N 385 
TYR CD1 CE1  sing Y N 386 
TYR CD1 HD1  sing N N 387 
TYR CD2 CE2  doub Y N 388 
TYR CD2 HD2  sing N N 389 
TYR CE1 CZ   doub Y N 390 
TYR CE1 HE1  sing N N 391 
TYR CE2 CZ   sing Y N 392 
TYR CE2 HE2  sing N N 393 
TYR CZ  OH   sing N N 394 
TYR OH  HH   sing N N 395 
TYR OXT HXT  sing N N 396 
VAL N   CA   sing N N 397 
VAL N   H    sing N N 398 
VAL N   H2   sing N N 399 
VAL CA  C    sing N N 400 
VAL CA  CB   sing N N 401 
VAL CA  HA   sing N N 402 
VAL C   O    doub N N 403 
VAL C   OXT  sing N N 404 
VAL CB  CG1  sing N N 405 
VAL CB  CG2  sing N N 406 
VAL CB  HB   sing N N 407 
VAL CG1 HG11 sing N N 408 
VAL CG1 HG12 sing N N 409 
VAL CG1 HG13 sing N N 410 
VAL CG2 HG21 sing N N 411 
VAL CG2 HG22 sing N N 412 
VAL CG2 HG23 sing N N 413 
VAL OXT HXT  sing N N 414 
# 
_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                    7HNB 
_atom_sites.fract_transf_matrix[1][1]   0.010470 
_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]   0.010470 
_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]   0.021786 
_atom_sites.fract_transf_vector[1]      0.000000 
_atom_sites.fract_transf_vector[2]      0.000000 
_atom_sites.fract_transf_vector[3]      0.000000 
# 
loop_
_atom_type.symbol 
C 
N 
O 
S 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N   . HIS A 1 2   ? -13.230 -12.875 -9.924  1.00 67.98 ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.748 -13.492 -11.206 1.00 63.40 ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.665 -12.606 -11.840 1.00 62.41 ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.557 -11.405 -11.467 1.00 62.42 ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -13.925 -13.746 -12.171 1.00 57.27 ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.524 -12.512 -12.772 1.00 52.80 ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -13.979 -11.887 -13.878 1.00 50.73 ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.626 -11.796 -12.450 1.00 50.50 ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.705 -10.831 -14.192 1.00 52.10 ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.721 -10.748 -13.335 1.00 46.96 ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -10.931 -13.170 -12.799 1.00 54.14 ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.812  -12.518 -13.528 1.00 58.40 ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -10.016 -12.681 -15.047 1.00 51.84 ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -9.017  -12.934 -15.740 1.00 52.01 ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.482  -13.082 -12.983 1.00 65.00 ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -8.399  -13.054 -11.485 1.00 74.53 ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -7.947  -11.941 -10.779 1.00 74.12 ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -8.742  -13.973 -10.553 1.00 78.33 ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -8.003  -12.187 -9.484  1.00 76.07 ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -8.483  -13.430 -9.319  1.00 81.45 ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.260 -12.503 -15.541 1.00 41.97 ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.683 -12.676 -16.965 1.00 36.15 ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.683 -11.334 -17.707 1.00 34.06 ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.850 -11.338 -18.945 1.00 31.10 ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.094 -13.294 -17.058 1.00 33.71 ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.212 -14.659 -16.475 1.00 35.04 ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.260 -15.657 -16.707 1.00 32.23 ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.154 -15.201 -15.676 1.00 31.70 ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.631 -16.754 -16.076 1.00 38.49 ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.796 -16.501 -15.442 1.00 36.19 ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.542 -10.215 -16.985 1.00 35.43 ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.642 -8.832  -17.527 1.00 36.85 ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.759 -8.659  -18.775 1.00 36.36 ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.198 -7.951  -19.714 1.00 37.07 ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.336 -7.783  -16.431 1.00 42.84 ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -12.164 -7.948  -15.198 1.00 51.47 ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.724 -8.686  -14.096 1.00 58.72 ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.406 -7.507  -14.885 1.00 58.52 ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.661 -8.685  -13.161 1.00 59.94 ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.710 -7.972  -13.623 1.00 58.15 ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.584  -9.299  -18.825 1.00 33.51 ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.600  -9.172  -19.938 1.00 34.49 ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -9.087  -9.814  -21.244 1.00 32.12 ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.438  -9.582  -22.266 1.00 34.36 ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.225  -9.723  -19.525 1.00 39.68 ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.169  -11.181 -19.228 1.00 40.59 ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.523  -12.078 -20.061 1.00 49.77 ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.608  -11.899 -18.172 1.00 44.42 ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.595  -13.290 -19.550 1.00 44.60 ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.261  -13.210 -18.392 1.00 48.95 ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.151 -10.629 -21.233 1.00 27.63 ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.793 -11.161 -22.468 1.00 24.85 ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.906 -10.214 -22.926 1.00 23.46 ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.736 -10.646 -23.740 1.00 20.26 ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.355 -12.564 -22.228 1.00 23.37 ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.317 -13.538 -21.759 1.00 24.36 ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.245  -13.881 -22.568 1.00 25.44 ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -10.181 -14.203 -20.592 1.00 25.11 ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.488  -14.740 -21.920 1.00 24.61 ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -9.022  -14.952 -20.699 1.00 28.39 ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -11.916 -8.968  -22.450 1.00 24.57 ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -12.976 -7.981  -22.807 1.00 27.47 ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -13.093 -7.860  -24.337 1.00 26.09 ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -12.072 -7.728  -25.037 1.00 28.04 ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.671 -6.609  -22.189 1.00 33.74 ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.730 -5.509  -22.428 1.00 39.71 ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.361 -5.695  -21.570 1.00 49.19 ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -15.001 -5.061  -19.933 1.00 41.26 ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.316 -7.877  -24.858 1.00 21.55 ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.611 -7.635  -26.299 1.00 23.01 ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.618 -6.475  -26.394 1.00 25.26 ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.442 -6.301  -25.458 1.00 24.87 ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.119 -8.907  -27.003 1.00 24.11 ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -13.990 -9.922  -27.125 1.00 26.88 ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.336 -9.506  -26.313 1.00 24.80 ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.549 -5.710  -27.480 1.00 24.34 ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.403 -4.516  -27.693 1.00 24.76 ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.650 -4.984  -28.447 1.00 23.19 ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.535 -5.334  -29.630 1.00 25.10 ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.626 -3.441  -28.430 1.00 26.97 ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.397 -2.176  -28.637 1.00 31.32 ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.524 -1.200  -27.652 1.00 34.03 ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.087 -1.730  -29.713 1.00 32.35 ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.262 -0.205  -28.120 1.00 33.30 ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.620 -0.506  -29.386 1.00 36.78 ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.779 -5.142  -27.760 1.00 19.42 ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -20.025 -5.658  -28.383 1.00 21.38 ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.835 -4.466  -28.905 1.00 20.17 ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.842 -3.438  -28.272 1.00 18.93 ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.854 -6.476  -27.375 1.00 20.57 ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -20.075 -7.675  -26.822 1.00 21.79 ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.204 -6.855  -27.974 1.00 19.78 ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.432 -8.589  -27.852 1.00 21.31 ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.409 -4.632  -30.077 1.00 19.05 ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.409 -3.690  -30.653 1.00 20.08 ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.678 -4.461  -31.024 1.00 19.36 ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.623 -5.681  -31.266 1.00 19.78 ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.790 -2.910  -31.825 1.00 20.73 ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.466 -3.824  -32.859 1.00 21.53 ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.582 -2.082  -31.441 1.00 24.84 ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.831 -3.798  -30.970 1.00 16.66 ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -26.141 -4.414  -31.271 1.00 17.99 ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.408 -4.412  -32.781 1.00 17.83 ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -26.083 -3.418  -33.436 1.00 19.40 ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.211 -3.662  -30.480 1.00 18.16 ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -26.989 -3.681  -28.967 1.00 19.64 ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -27.941 -2.786  -28.195 1.00 21.78 ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -27.055 -5.113  -28.421 1.00 19.68 ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -26.993 -5.475  -33.278 1.00 16.59 ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.397 -5.636  -34.695 1.00 18.19 ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -28.885 -5.224  -34.836 1.00 19.63 ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.753 -6.023  -34.557 1.00 17.81 ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -27.153 -7.068  -35.164 1.00 18.18 ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.452 -7.325  -36.634 1.00 23.27 ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -28.099 -6.475  -37.239 1.00 22.82 ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -27.077 -8.411  -37.128 1.00 22.55 ? 20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -29.110 -3.980  -35.281 0.25 19.81 ? 21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -29.127 -3.992  -35.294 0.25 20.97 ? 21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.431 -3.367  -35.609 0.25 21.14 ? 21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.478 -3.406  -35.526 0.25 23.06 ? 21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.325 -4.345  -36.374 0.25 20.43 ? 21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.343 -4.337  -36.386 0.25 21.53 ? 21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.537 -4.352  -36.127 0.25 19.52 ? 21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.566 -4.317  -36.203 0.25 20.39 ? 21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.234 -2.124  -36.491 0.25 22.41 ? 21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.356 -2.037  -36.208 0.25 26.55 ? 21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.369 -1.047  -35.857 0.25 23.94 ? 21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.795 -0.938  -35.318 0.25 29.58 ? 21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.365 0.268   -36.627 0.25 24.22 ? 21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.325 -0.643  -35.587 0.25 33.22 ? 21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -28.732 1.315   -35.839 0.25 23.59 ? 21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -28.097 0.354   -36.635 0.25 34.46 ? 21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.353 1.977   -34.880 0.25 23.02 ? 21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -27.547 0.107   -37.824 0.25 37.69 ? 21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.620 1.707   -34.632 0.25 23.23 ? 21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -27.148 -1.110  -38.146 0.25 39.20 ? 21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -28.723 2.901   -34.183 0.25 23.85 ? 21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -27.385 1.091   -38.689 0.25 39.76 ? 21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.744 -5.111  -37.298 1.00 21.22 ? 22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.514 -5.949  -38.238 1.00 20.82 ? 22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.164 -7.126  -37.513 1.00 18.88 ? 22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.197 -7.580  -38.026 1.00 18.79 ? 22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.663 -6.361  -39.446 1.00 25.98 ? 22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.469 -5.205  -40.411 1.00 32.02 ? 22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -31.259 -4.260  -40.445 1.00 41.45 ? 22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.398 -5.251  -41.184 1.00 43.91 ? 22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.660 -7.529  -36.325 1.00 16.46 ? 23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.220 -8.662  -35.542 1.00 17.73 ? 23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.265 -8.164  -34.538 1.00 16.52 ? 23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -33.957 -8.981  -33.940 1.00 16.18 ? 23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -31.134 -9.458  -34.803 1.00 16.78 ? 23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.578 -8.613  -33.798 1.00 16.81 ? 23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -30.080 -10.016 -35.748 1.00 16.52 ? 23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.375 -6.857  -34.337 1.00 15.46 ? 24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -34.182 -6.315  -33.225 1.00 14.58 ? 24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.683 -6.492  -33.502 1.00 15.96 ? 24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -36.150 -6.215  -34.607 1.00 16.63 ? 24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -33.843 -4.862  -33.060 1.00 15.52 ? 24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.439 -6.808  -32.478 1.00 16.25 ? 25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -37.898 -6.593  -32.475 1.00 15.70 ? 25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -38.192 -5.148  -32.919 1.00 15.97 ? 25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.487 -4.182  -32.535 1.00 15.59 ? 25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.426 -6.878  -31.061 1.00 15.83 ? 25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -39.911 -6.645  -30.993 1.00 18.80 ? 25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.320 -5.532  -30.781 1.00 18.63 ? 25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.716 -7.684  -31.140 1.00 20.95 ? 25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.268 -4.973  -33.667 1.00 16.59 ? 26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.579 -3.700  -34.363 1.00 17.62 ? 26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -39.963 -2.582  -33.388 1.00 17.25 ? 26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -40.096 -1.449  -33.857 1.00 18.37 ? 26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.669 -3.935  -35.361 1.00 19.70 ? 26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.821 -4.337  -34.639 1.00 21.33 ? 26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -40.153 -2.855  -32.089 1.00 16.15 ? 27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.458 -1.848  -31.054 1.00 17.03 ? 27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.201 -1.392  -30.342 1.00 16.72 ? 27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.302 -0.462  -29.546 1.00 17.17 ? 27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.469 -2.408  -30.074 1.00 18.24 ? 27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.850 -2.486  -30.647 1.00 18.60 ? 27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.240 -3.007  -31.850 1.00 19.35 ? 27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -44.042 -2.049  -29.988 1.00 20.96 ? 27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.608 -2.892  -31.992 1.00 21.84 ? 27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -45.119 -2.322  -30.859 1.00 20.04 ? 27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -44.280 -1.393  -28.775 1.00 22.41 ? 27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.437 -1.968  -30.534 1.00 22.93 ? 27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.587 -1.069  -28.440 1.00 22.68 ? 27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.637 -1.387  -29.299 1.00 24.57 ? 27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -38.020 -1.956  -30.664 1.00 16.91 ? 28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.806 -1.553  -29.923 1.00 16.61 ? 28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.178 -0.303  -30.550 1.00 16.69 ? 28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.200 -0.132  -31.795 1.00 15.50 ? 28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.784 -2.692  -29.881 1.00 14.32 ? 28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.219 -3.968  -29.165 1.00 14.87 ? 28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -35.107 -5.005  -29.154 1.00 15.98 ? 28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.689 -3.681  -27.742 1.00 15.86 ? 28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.557 0.487   -29.691 1.00 16.14 ? 29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.770 1.678   -30.097 1.00 16.07 ? 29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.333 1.416   -29.680 1.00 16.26 ? 29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -33.070 1.354   -28.452 1.00 15.94 ? 29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.292 2.967   -29.472 1.00 17.72 ? 29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.785 3.197   -29.782 1.00 17.34 ? 29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.421 4.145   -29.936 1.00 18.78 ? 29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.428 4.305   -29.032 1.00 19.36 ? 29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.473 1.296   -30.666 1.00 19.38 ? 30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -31.010 1.103   -30.474 1.00 19.68 ? 30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.330 2.457   -30.653 1.00 22.45 ? 30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.571 3.158   -31.684 1.00 21.64 ? 30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.475 0.038   -31.430 1.00 20.82 ? 30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -31.011 -1.316  -30.996 1.00 23.69 ? 30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -28.938 0.041   -31.484 1.00 19.64 ? 30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -30.822 -2.345  -31.955 1.00 27.83 ? 30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.432 2.801   -29.745 1.00 20.77 ? 31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.755 4.114   -29.773 1.00 20.48 ? 31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -27.842 4.196   -31.015 1.00 19.40 ? 31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.474 3.175   -31.606 1.00 20.88 ? 31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -28.002 4.329   -28.503 1.00 21.20 ? 31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -27.025 3.312   -28.366 1.00 20.59 ? 31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.459 5.423   -31.382 1.00 22.85 ? 32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.598 5.685   -32.563 1.00 23.24 ? 32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.293 4.890   -32.453 1.00 20.66 ? 32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -24.861 4.363   -33.486 1.00 22.70 ? 32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -26.334 7.193   -32.642 1.00 26.90 ? 32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -25.412 7.628   -33.757 1.00 33.40 ? 32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.454 9.111   -33.957 1.00 34.47 ? 32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -25.383 9.850   -32.638 1.00 38.22 ? 32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.331 11.308  -32.856 1.00 41.42 ? 32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.731 4.774   -31.252 1.00 22.92 ? 33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.430 4.075   -31.026 1.00 21.18 ? 33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.637 2.549   -30.979 1.00 21.41 ? 33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.619 1.814   -30.875 1.00 20.93 ? 33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.704 4.613   -29.789 1.00 23.86 ? 33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.365 4.341   -28.447 1.00 23.93 ? 33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.447 3.659   -28.407 1.00 23.33 ? 33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.799 4.827   -27.438 1.00 27.18 ? 33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -24.873 2.080   -31.048 1.00 19.21 ? 34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.211 0.633   -31.059 1.00 19.02 ? 34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.752 -0.021  -29.745 1.00 17.65 ? 34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.603 -1.259  -29.712 1.00 19.24 ? 34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.692 -0.035  -32.336 1.00 24.38 ? 34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.347 0.568   -33.577 1.00 28.58 ? 34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -24.997 -0.076  -34.887 1.00 38.31 ? 34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.568 -0.246  -35.054 1.00 49.62 ? 34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.904 -1.405  -34.933 1.00 67.65 ? 34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.533 -2.544  -34.645 1.00 65.99 ? 34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.590 -1.416  -35.122 1.00 70.21 ? 34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.714 0.732   -28.653 1.00 16.95 ? 35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.325 0.194   -27.335 1.00 18.64 ? 35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.481 0.193   -26.337 1.00 17.42 ? 35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.274 -0.334  -25.224 1.00 18.29 ? 35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.134 0.965   -26.766 1.00 20.76 ? 35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -21.920 0.858   -27.679 1.00 20.45 ? 35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -20.996 -0.299  -27.399 1.00 23.37 ? 35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.250 -0.091  -26.159 1.00 25.62 ? 35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.540 -1.041  -25.558 1.00 24.90 ? 35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.506 -2.241  -26.105 1.00 24.49 ? 35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -18.882 -0.780  -24.433 1.00 24.71 ? 35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.636 0.769   -26.651 1.00 17.03 ? 36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -27.803 0.786   -25.736 1.00 17.48 ? 36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -29.070 0.426   -26.492 1.00 16.88 ? 36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.159 0.687   -27.741 1.00 16.23 ? 36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -28.074 2.156   -25.102 1.00 20.35 ? 36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -26.826 2.791   -24.555 1.00 22.64 ? 36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -27.165 4.032   -23.766 1.00 25.60 ? 36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.304 4.262   -23.354 1.00 26.78 ? 36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -26.149 4.811   -23.520 1.00 27.67 ? 36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -29.982 -0.218  -25.778 1.00 16.12 ? 37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.289 -0.601  -26.378 1.00 16.27 ? 37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.369 -0.408  -25.321 1.00 16.35 ? 37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.154 -0.730  -24.159 1.00 16.18 ? 37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.278 -2.020  -26.967 1.00 14.90 ? 37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -30.845 -3.102  -25.965 1.00 14.93 ? 37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.631 -2.356  -27.567 1.00 16.87 ? 37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.528 0.089   -25.749 0.34 17.01 ? 38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.736 0.258   -24.903 0.34 17.75 ? 38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -35.976 -0.021  -25.758 0.34 18.40 ? 38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -35.898 0.140   -26.998 0.34 17.58 ? 38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.782 1.667   -24.306 0.34 18.12 ? 38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -34.895 2.771   -25.347 0.34 18.66 ? 38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -34.422 4.113   -24.823 0.34 19.09 ? 38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -34.558 5.154   -25.836 0.34 19.87 ? 38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -35.664 5.857   -26.055 0.34 19.76 ? 38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -36.757 5.623   -25.343 0.34 19.77 ? 38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -35.676 6.789   -26.993 0.34 19.22 ? 38  ARG B NH2 1 
ATOM   283  N N   . MET A 1 33  ? -37.071 -0.431  -25.123 0.34 19.54 ? 39  MET B N   1 
ATOM   284  C CA  . MET A 1 33  ? -38.362 -0.672  -25.820 0.34 20.79 ? 39  MET B CA  1 
ATOM   285  C C   . MET A 1 33  ? -39.081 0.666   -25.979 0.34 21.09 ? 39  MET B C   1 
ATOM   286  O O   . MET A 1 33  ? -39.358 1.319   -24.949 0.34 21.22 ? 39  MET B O   1 
ATOM   287  C CB  . MET A 1 33  ? -39.270 -1.634  -25.053 0.34 21.40 ? 39  MET B CB  1 
ATOM   288  C CG  . MET A 1 33  ? -40.493 -2.064  -25.866 0.34 22.45 ? 39  MET B CG  1 
ATOM   289  S SD  . MET A 1 33  ? -41.966 -2.300  -24.850 0.34 23.84 ? 39  MET B SD  1 
ATOM   290  C CE  . MET A 1 33  ? -41.457 -3.740  -23.919 0.34 22.42 ? 39  MET B CE  1 
ATOM   291  N N   . GLY A 1 34  ? -39.352 1.048   -27.229 0.34 22.13 ? 40  GLY B N   1 
ATOM   292  C CA  . GLY A 1 34  ? -40.166 2.223   -27.584 0.34 22.81 ? 40  GLY B CA  1 
ATOM   293  C C   . GLY A 1 34  ? -41.634 1.992   -27.269 0.34 23.09 ? 40  GLY B C   1 
ATOM   294  O O   . GLY A 1 34  ? -42.028 0.826   -27.084 0.34 22.88 ? 40  GLY B O   1 
ATOM   295  N N   . ASP A 1 35  ? -42.417 3.071   -27.248 1.00 24.76 ? 41  ASP B N   1 
ATOM   296  C CA  . ASP A 1 35  ? -43.860 3.040   -26.838 1.00 29.14 ? 41  ASP B CA  1 
ATOM   297  C C   . ASP A 1 35  ? -44.719 2.586   -28.043 1.00 30.61 ? 41  ASP B C   1 
ATOM   298  O O   . ASP A 1 35  ? -45.957 2.354   -27.850 1.00 31.02 ? 41  ASP B O   1 
ATOM   299  C CB  . ASP A 1 35  ? -44.240 4.340   -26.100 1.00 39.86 ? 41  ASP B CB  1 
ATOM   300  C CG  . ASP A 1 35  ? -43.851 4.335   -24.611 1.00 53.83 ? 41  ASP B CG  1 
ATOM   301  O OD1 . ASP A 1 35  ? -43.597 3.227   -24.065 1.00 64.04 ? 41  ASP B OD1 1 
ATOM   302  O OD2 . ASP A 1 35  ? -43.810 5.429   -23.975 1.00 59.00 ? 41  ASP B OD2 1 
ATOM   303  N N   . THR A 1 36  ? -44.102 2.295   -29.193 1.00 25.13 ? 42  THR B N   1 
ATOM   304  C CA  . THR A 1 36  ? -44.819 1.935   -30.453 1.00 23.48 ? 42  THR B CA  1 
ATOM   305  C C   . THR A 1 36  ? -43.889 1.204   -31.435 1.00 21.38 ? 42  THR B C   1 
ATOM   306  O O   . THR A 1 36  ? -42.631 1.163   -31.217 1.00 19.90 ? 42  THR B O   1 
ATOM   307  C CB  . THR A 1 36  ? -45.395 3.253   -30.987 1.00 23.58 ? 42  THR B CB  1 
ATOM   308  O OG1 . THR A 1 36  ? -46.296 2.993   -32.045 1.00 24.57 ? 42  THR B OG1 1 
ATOM   309  C CG2 . THR A 1 36  ? -44.306 4.138   -31.521 1.00 25.67 ? 42  THR B CG2 1 
ATOM   310  N N   . HIS A 1 37  ? -44.419 0.713   -32.562 1.00 21.53 ? 43  HIS B N   1 
ATOM   311  C CA  . HIS A 1 37  ? -43.607 0.232   -33.718 1.00 20.85 ? 43  HIS B CA  1 
ATOM   312  C C   . HIS A 1 37  ? -42.617 1.326   -34.117 1.00 20.54 ? 43  HIS B C   1 
ATOM   313  O O   . HIS A 1 37  ? -43.078 2.477   -34.305 1.00 20.86 ? 43  HIS B O   1 
ATOM   314  C CB  . HIS A 1 37  ? -44.556 -0.207  -34.844 1.00 21.28 ? 43  HIS B CB  1 
ATOM   315  C CG  . HIS A 1 37  ? -43.932 -0.894  -36.008 1.00 19.98 ? 43  HIS B CG  1 
ATOM   316  N ND1 . HIS A 1 37  ? -43.094 -0.259  -36.892 1.00 18.90 ? 43  HIS B ND1 1 
ATOM   317  C CD2 . HIS A 1 37  ? -44.064 -2.169  -36.442 1.00 20.78 ? 43  HIS B CD2 1 
ATOM   318  C CE1 . HIS A 1 37  ? -42.763 -1.094  -37.839 1.00 18.92 ? 43  HIS B CE1 1 
ATOM   319  N NE2 . HIS A 1 37  ? -43.344 -2.290  -37.593 1.00 18.83 ? 43  HIS B NE2 1 
ATOM   320  N N   . GLN A 1 38  ? -41.321 0.981   -34.332 1.00 18.90 ? 44  GLN B N   1 
ATOM   321  C CA  . GLN A 1 38  ? -40.262 1.973   -34.624 1.00 17.94 ? 44  GLN B CA  1 
ATOM   322  C C   . GLN A 1 38  ? -40.053 2.210   -36.136 1.00 19.89 ? 44  GLN B C   1 
ATOM   323  O O   . GLN A 1 38  ? -39.034 2.790   -36.510 1.00 20.40 ? 44  GLN B O   1 
ATOM   324  C CB  . GLN A 1 38  ? -38.976 1.587   -33.891 1.00 18.41 ? 44  GLN B CB  1 
ATOM   325  C CG  . GLN A 1 38  ? -39.135 1.681   -32.385 1.00 17.34 ? 44  GLN B CG  1 
ATOM   326  C CD  . GLN A 1 38  ? -39.598 3.034   -31.902 1.00 19.91 ? 44  GLN B CD  1 
ATOM   327  O OE1 . GLN A 1 38  ? -40.603 3.181   -31.184 1.00 20.76 ? 44  GLN B OE1 1 
ATOM   328  N NE2 . GLN A 1 38  ? -38.912 4.069   -32.346 1.00 18.02 ? 44  GLN B NE2 1 
ATOM   329  N N   . ASN A 1 39  ? -41.046 1.909   -36.970 1.00 18.87 ? 45  ASN B N   1 
ATOM   330  C CA  . ASN A 1 39  ? -41.100 2.362   -38.396 1.00 18.37 ? 45  ASN B CA  1 
ATOM   331  C C   . ASN A 1 39  ? -39.998 1.706   -39.233 1.00 20.50 ? 45  ASN B C   1 
ATOM   332  O O   . ASN A 1 39  ? -39.525 2.326   -40.209 1.00 20.99 ? 45  ASN B O   1 
ATOM   333  C CB  . ASN A 1 39  ? -41.128 3.903   -38.475 1.00 19.10 ? 45  ASN B CB  1 
ATOM   334  C CG  . ASN A 1 39  ? -41.740 4.381   -39.789 1.00 20.10 ? 45  ASN B CG  1 
ATOM   335  O OD1 . ASN A 1 39  ? -42.573 3.690   -40.355 1.00 19.24 ? 45  ASN B OD1 1 
ATOM   336  N ND2 . ASN A 1 39  ? -41.337 5.551   -40.288 1.00 19.82 ? 45  ASN B ND2 1 
ATOM   337  N N   . VAL A 1 40  ? -39.671 0.437   -38.933 1.00 22.27 ? 46  VAL B N   1 
ATOM   338  C CA  . VAL A 1 40  ? -38.677 -0.384  -39.686 1.00 23.24 ? 46  VAL B CA  1 
ATOM   339  C C   . VAL A 1 40  ? -39.437 -1.423  -40.522 1.00 22.76 ? 46  VAL B C   1 
ATOM   340  O O   . VAL A 1 40  ? -40.550 -1.789  -40.152 1.00 21.41 ? 46  VAL B O   1 
ATOM   341  C CB  . VAL A 1 40  ? -37.662 -1.039  -38.734 1.00 24.21 ? 46  VAL B CB  1 
ATOM   342  C CG1 . VAL A 1 40  ? -36.755 -0.008  -38.071 1.00 26.87 ? 46  VAL B CG1 1 
ATOM   343  C CG2 . VAL A 1 40  ? -38.325 -1.907  -37.663 1.00 26.17 ? 46  VAL B CG2 1 
ATOM   344  N N   . SER A 1 41  ? -38.870 -1.891  -41.627 1.00 23.01 ? 47  SER B N   1 
ATOM   345  C CA  . SER A 1 41  ? -39.462 -3.027  -42.382 1.00 23.32 ? 47  SER B CA  1 
ATOM   346  C C   . SER A 1 41  ? -39.274 -4.339  -41.625 1.00 23.48 ? 47  SER B C   1 
ATOM   347  O O   . SER A 1 41  ? -38.327 -4.458  -40.879 1.00 22.10 ? 47  SER B O   1 
ATOM   348  C CB  . SER A 1 41  ? -38.914 -3.135  -43.783 1.00 24.33 ? 47  SER B CB  1 
ATOM   349  O OG  . SER A 1 41  ? -37.518 -3.391  -43.757 1.00 25.66 ? 47  SER B OG  1 
ATOM   350  N N   . ASP A 1 42  ? -40.135 -5.320  -41.886 1.00 23.93 ? 48  ASP B N   1 
ATOM   351  C CA  . ASP A 1 42  ? -40.020 -6.678  -41.326 1.00 24.08 ? 48  ASP B CA  1 
ATOM   352  C C   . ASP A 1 42  ? -38.938 -7.407  -42.105 1.00 23.65 ? 48  ASP B C   1 
ATOM   353  O O   . ASP A 1 42  ? -38.656 -7.043  -43.276 1.00 22.85 ? 48  ASP B O   1 
ATOM   354  C CB  . ASP A 1 42  ? -41.348 -7.427  -41.321 1.00 25.50 ? 48  ASP B CB  1 
ATOM   355  C CG  . ASP A 1 42  ? -41.398 -8.503  -40.241 1.00 31.21 ? 48  ASP B CG  1 
ATOM   356  O OD1 . ASP A 1 42  ? -40.462 -8.567  -39.380 1.00 23.06 ? 48  ASP B OD1 1 
ATOM   357  O OD2 . ASP A 1 42  ? -42.393 -9.222  -40.203 1.00 39.67 ? 48  ASP B OD2 1 
ATOM   358  N N   . ASN A 1 43  ? -38.313 -8.383  -41.456 1.00 22.18 ? 49  ASN B N   1 
ATOM   359  C CA  . ASN A 1 43  ? -37.323 -9.285  -42.082 1.00 23.27 ? 49  ASN B CA  1 
ATOM   360  C C   . ASN A 1 43  ? -37.313 -10.589 -41.277 1.00 23.46 ? 49  ASN B C   1 
ATOM   361  O O   . ASN A 1 43  ? -37.885 -10.637 -40.155 1.00 23.40 ? 49  ASN B O   1 
ATOM   362  C CB  . ASN A 1 43  ? -35.974 -8.621  -42.274 1.00 21.80 ? 49  ASN B CB  1 
ATOM   363  C CG  . ASN A 1 43  ? -35.236 -8.401  -40.969 1.00 22.54 ? 49  ASN B CG  1 
ATOM   364  O OD1 . ASN A 1 43  ? -35.039 -9.348  -40.228 1.00 23.95 ? 49  ASN B OD1 1 
ATOM   365  N ND2 . ASN A 1 43  ? -34.893 -7.185  -40.646 1.00 20.78 ? 49  ASN B ND2 1 
ATOM   366  N N   . LYS A 1 44  ? -36.717 -11.631 -41.824 1.00 22.64 ? 50  LYS B N   1 
ATOM   367  C CA  . LYS A 1 44  ? -36.772 -12.977 -41.207 1.00 25.34 ? 50  LYS B CA  1 
ATOM   368  C C   . LYS A 1 44  ? -35.852 -13.025 -39.968 1.00 23.03 ? 50  LYS B C   1 
ATOM   369  O O   . LYS A 1 44  ? -36.005 -13.979 -39.197 1.00 23.50 ? 50  LYS B O   1 
ATOM   370  C CB  . LYS A 1 44  ? -36.339 -14.019 -42.245 1.00 32.11 ? 50  LYS B CB  1 
ATOM   371  C CG  . LYS A 1 44  ? -34.873 -13.920 -42.624 1.00 37.80 ? 50  LYS B CG  1 
ATOM   372  C CD  . LYS A 1 44  ? -34.451 -14.894 -43.695 1.00 49.41 ? 50  LYS B CD  1 
ATOM   373  C CE  . LYS A 1 44  ? -32.950 -15.027 -43.787 1.00 53.43 ? 50  LYS B CE  1 
ATOM   374  N NZ  . LYS A 1 44  ? -32.584 -15.815 -44.987 1.00 57.23 ? 50  LYS B NZ  1 
ATOM   375  N N   . GLU A 1 45  ? -34.953 -12.055 -39.784 1.00 22.42 ? 51  GLU B N   1 
ATOM   376  C CA  . GLU A 1 45  ? -34.030 -12.040 -38.608 1.00 23.29 ? 51  GLU B CA  1 
ATOM   377  C C   . GLU A 1 45  ? -34.737 -11.514 -37.350 1.00 21.63 ? 51  GLU B C   1 
ATOM   378  O O   . GLU A 1 45  ? -34.268 -11.823 -36.229 1.00 20.01 ? 51  GLU B O   1 
ATOM   379  C CB  . GLU A 1 45  ? -32.805 -11.181 -38.870 1.00 27.90 ? 51  GLU B CB  1 
ATOM   380  C CG  . GLU A 1 45  ? -31.933 -11.659 -40.022 1.00 33.68 ? 51  GLU B CG  1 
ATOM   381  C CD  . GLU A 1 45  ? -30.774 -10.699 -40.226 1.00 42.27 ? 51  GLU B CD  1 
ATOM   382  O OE1 . GLU A 1 45  ? -30.804 -9.953  -41.231 1.00 58.10 ? 51  GLU B OE1 1 
ATOM   383  O OE2 . GLU A 1 45  ? -29.876 -10.641 -39.360 1.00 46.36 ? 51  GLU B OE2 1 
ATOM   384  N N   . ARG A 1 46  ? -35.765 -10.669 -37.480 1.00 18.92 ? 52  ARG B N   1 
ATOM   385  C CA  . ARG A 1 46  ? -36.298 -9.943  -36.291 1.00 19.19 ? 52  ARG B CA  1 
ATOM   386  C C   . ARG A 1 46  ? -36.998 -10.890 -35.327 1.00 18.56 ? 52  ARG B C   1 
ATOM   387  O O   . ARG A 1 46  ? -37.854 -11.704 -35.749 1.00 18.68 ? 52  ARG B O   1 
ATOM   388  C CB  . ARG A 1 46  ? -37.299 -8.847  -36.661 1.00 19.20 ? 52  ARG B CB  1 
ATOM   389  C CG  . ARG A 1 46  ? -36.718 -7.738  -37.521 1.00 19.71 ? 52  ARG B CG  1 
ATOM   390  C CD  . ARG A 1 46  ? -37.632 -6.499  -37.493 1.00 18.29 ? 52  ARG B CD  1 
ATOM   391  N NE  . ARG A 1 46  ? -37.096 -5.503  -38.389 1.00 18.03 ? 52  ARG B NE  1 
ATOM   392  C CZ  . ARG A 1 46  ? -35.992 -4.791  -38.160 1.00 19.75 ? 52  ARG B CZ  1 
ATOM   393  N NH1 . ARG A 1 46  ? -35.335 -4.822  -36.992 1.00 18.42 ? 52  ARG B NH1 1 
ATOM   394  N NH2 . ARG A 1 46  ? -35.565 -3.983  -39.105 1.00 21.97 ? 52  ARG B NH2 1 
ATOM   395  N N   . PHE A 1 47  ? -36.715 -10.768 -34.030 1.00 17.10 ? 53  PHE B N   1 
ATOM   396  C CA  . PHE A 1 47  ? -37.514 -11.488 -33.016 1.00 16.49 ? 53  PHE B CA  1 
ATOM   397  C C   . PHE A 1 47  ? -38.940 -10.908 -33.018 1.00 18.23 ? 53  PHE B C   1 
ATOM   398  O O   . PHE A 1 47  ? -39.077 -9.715  -32.747 1.00 18.49 ? 53  PHE B O   1 
ATOM   399  C CB  . PHE A 1 47  ? -36.884 -11.425 -31.629 1.00 15.80 ? 53  PHE B CB  1 
ATOM   400  C CG  . PHE A 1 47  ? -35.643 -12.271 -31.502 1.00 16.07 ? 53  PHE B CG  1 
ATOM   401  C CD1 . PHE A 1 47  ? -35.743 -13.641 -31.254 1.00 15.53 ? 53  PHE B CD1 1 
ATOM   402  C CD2 . PHE A 1 47  ? -34.384 -11.699 -31.592 1.00 17.48 ? 53  PHE B CD2 1 
ATOM   403  C CE1 . PHE A 1 47  ? -34.595 -14.420 -31.133 1.00 16.84 ? 53  PHE B CE1 1 
ATOM   404  C CE2 . PHE A 1 47  ? -33.250 -12.485 -31.414 1.00 17.31 ? 53  PHE B CE2 1 
ATOM   405  C CZ  . PHE A 1 47  ? -33.364 -13.847 -31.267 1.00 16.08 ? 53  PHE B CZ  1 
ATOM   406  N N   . SER A 1 48  ? -39.953 -11.727 -33.279 1.00 18.91 ? 54  SER B N   1 
ATOM   407  C CA  . SER A 1 48  ? -41.358 -11.237 -33.424 1.00 20.35 ? 54  SER B CA  1 
ATOM   408  C C   . SER A 1 48  ? -42.082 -11.096 -32.079 1.00 19.73 ? 54  SER B C   1 
ATOM   409  O O   . SER A 1 48  ? -42.831 -10.091 -31.916 1.00 23.60 ? 54  SER B O   1 
ATOM   410  C CB  . SER A 1 48  ? -42.128 -12.096 -34.418 1.00 20.99 ? 54  SER B CB  1 
ATOM   411  O OG  . SER A 1 48  ? -42.244 -13.415 -33.950 1.00 21.92 ? 54  SER B OG  1 
ATOM   412  N N   . ASN A 1 49  ? -41.982 -12.037 -31.157 1.00 18.68 ? 55  ASN B N   1 
ATOM   413  C CA  . ASN A 1 49  ? -42.915 -12.146 -30.010 1.00 18.99 ? 55  ASN B CA  1 
ATOM   414  C C   . ASN A 1 49  ? -42.379 -11.424 -28.776 1.00 18.63 ? 55  ASN B C   1 
ATOM   415  O O   . ASN A 1 49  ? -43.132 -11.237 -27.790 1.00 21.15 ? 55  ASN B O   1 
ATOM   416  C CB  . ASN A 1 49  ? -43.267 -13.589 -29.701 1.00 19.50 ? 55  ASN B CB  1 
ATOM   417  C CG  . ASN A 1 49  ? -44.158 -14.239 -30.750 1.00 23.51 ? 55  ASN B CG  1 
ATOM   418  O OD1 . ASN A 1 49  ? -43.938 -14.117 -31.952 1.00 24.52 ? 55  ASN B OD1 1 
ATOM   419  N ND2 . ASN A 1 49  ? -45.118 -15.011 -30.268 1.00 26.70 ? 55  ASN B ND2 1 
ATOM   420  N N   . TYR A 1 50  ? -41.079 -11.116 -28.764 1.00 17.37 ? 56  TYR B N   1 
ATOM   421  C CA  . TYR A 1 50  ? -40.412 -10.627 -27.540 1.00 16.03 ? 56  TYR B CA  1 
ATOM   422  C C   . TYR A 1 50  ? -39.473 -9.484  -27.893 1.00 16.89 ? 56  TYR B C   1 
ATOM   423  O O   . TYR A 1 50  ? -38.920 -9.434  -29.005 1.00 16.50 ? 56  TYR B O   1 
ATOM   424  C CB  . TYR A 1 50  ? -39.608 -11.755 -26.904 1.00 15.95 ? 56  TYR B CB  1 
ATOM   425  C CG  . TYR A 1 50  ? -40.312 -13.079 -26.766 1.00 17.04 ? 56  TYR B CG  1 
ATOM   426  C CD1 . TYR A 1 50  ? -41.312 -13.259 -25.821 1.00 19.89 ? 56  TYR B CD1 1 
ATOM   427  C CD2 . TYR A 1 50  ? -40.030 -14.134 -27.604 1.00 17.96 ? 56  TYR B CD2 1 
ATOM   428  C CE1 . TYR A 1 50  ? -41.981 -14.475 -25.684 1.00 22.62 ? 56  TYR B CE1 1 
ATOM   429  C CE2 . TYR A 1 50  ? -40.713 -15.337 -27.522 1.00 19.39 ? 56  TYR B CE2 1 
ATOM   430  C CZ  . TYR A 1 50  ? -41.698 -15.505 -26.558 1.00 20.97 ? 56  TYR B CZ  1 
ATOM   431  O OH  . TYR A 1 50  ? -42.317 -16.727 -26.443 1.00 21.08 ? 56  TYR B OH  1 
ATOM   432  N N   . PRO A 1 51  ? -39.170 -8.601  -26.925 1.00 15.17 ? 57  PRO B N   1 
ATOM   433  C CA  . PRO A 1 51  ? -38.326 -7.424  -27.152 1.00 14.80 ? 57  PRO B CA  1 
ATOM   434  C C   . PRO A 1 51  ? -36.820 -7.763  -27.087 1.00 14.27 ? 57  PRO B C   1 
ATOM   435  O O   . PRO A 1 51  ? -36.092 -7.212  -26.251 1.00 16.33 ? 57  PRO B O   1 
ATOM   436  C CB  . PRO A 1 51  ? -38.691 -6.449  -26.017 1.00 16.85 ? 57  PRO B CB  1 
ATOM   437  C CG  . PRO A 1 51  ? -39.779 -7.130  -25.206 1.00 17.73 ? 57  PRO B CG  1 
ATOM   438  C CD  . PRO A 1 51  ? -39.799 -8.574  -25.608 1.00 15.46 ? 57  PRO B CD  1 
ATOM   439  N N   . MET A 1 52  ? -36.414 -8.655  -27.996 1.00 14.63 ? 58  MET B N   1 
ATOM   440  C CA  . MET A 1 52  ? -35.054 -9.240  -28.092 1.00 13.21 ? 58  MET B CA  1 
ATOM   441  C C   . MET A 1 52  ? -34.242 -8.644  -29.244 1.00 13.78 ? 58  MET B C   1 
ATOM   442  O O   . MET A 1 52  ? -34.795 -8.180  -30.313 1.00 15.04 ? 58  MET B O   1 
ATOM   443  C CB  . MET A 1 52  ? -35.183 -10.761 -28.271 1.00 13.94 ? 58  MET B CB  1 
ATOM   444  C CG  . MET A 1 52  ? -35.706 -11.444 -27.056 1.00 13.33 ? 58  MET B CG  1 
ATOM   445  S SD  . MET A 1 52  ? -36.231 -13.149 -27.439 1.00 15.69 ? 58  MET B SD  1 
ATOM   446  C CE  . MET A 1 52  ? -36.813 -13.741 -25.861 1.00 16.89 ? 58  MET B CE  1 
ATOM   447  N N   . VAL A 1 53  ? -32.909 -8.709  -29.092 1.00 14.22 ? 59  VAL B N   1 
ATOM   448  C CA  . VAL A 1 53  ? -31.957 -8.257  -30.140 1.00 14.52 ? 59  VAL B CA  1 
ATOM   449  C C   . VAL A 1 53  ? -30.636 -9.013  -29.923 1.00 15.45 ? 59  VAL B C   1 
ATOM   450  O O   . VAL A 1 53  ? -30.361 -9.421  -28.739 1.00 14.96 ? 59  VAL B O   1 
ATOM   451  C CB  . VAL A 1 53  ? -31.769 -6.726  -30.107 1.00 14.44 ? 59  VAL B CB  1 
ATOM   452  C CG1 . VAL A 1 53  ? -31.201 -6.255  -28.793 1.00 14.92 ? 59  VAL B CG1 1 
ATOM   453  C CG2 . VAL A 1 53  ? -30.901 -6.222  -31.249 1.00 15.15 ? 59  VAL B CG2 1 
ATOM   454  N N   . LEU A 1 54  ? -29.885 -9.248  -30.985 1.00 14.64 ? 60  LEU B N   1 
ATOM   455  C CA  . LEU A 1 54  ? -28.544 -9.891  -30.899 1.00 15.12 ? 60  LEU B CA  1 
ATOM   456  C C   . LEU A 1 54  ? -27.425 -8.881  -31.049 1.00 16.74 ? 60  LEU B C   1 
ATOM   457  O O   . LEU A 1 54  ? -27.580 -7.818  -31.743 1.00 16.33 ? 60  LEU B O   1 
ATOM   458  C CB  . LEU A 1 54  ? -28.388 -10.958 -31.981 1.00 15.57 ? 60  LEU B CB  1 
ATOM   459  C CG  . LEU A 1 54  ? -29.461 -12.025 -32.020 1.00 16.13 ? 60  LEU B CG  1 
ATOM   460  C CD1 . LEU A 1 54  ? -29.168 -13.126 -33.009 1.00 17.78 ? 60  LEU B CD1 1 
ATOM   461  C CD2 . LEU A 1 54  ? -29.729 -12.619 -30.637 1.00 16.46 ? 60  LEU B CD2 1 
ATOM   462  N N   . GLY A 1 55  ? -26.277 -9.215  -30.478 1.00 15.82 ? 61  GLY B N   1 
ATOM   463  C CA  . GLY A 1 55  ? -25.019 -8.526  -30.825 1.00 15.69 ? 61  GLY B CA  1 
ATOM   464  C C   . GLY A 1 55  ? -24.625 -8.877  -32.260 1.00 15.16 ? 61  GLY B C   1 
ATOM   465  O O   . GLY A 1 55  ? -24.963 -9.948  -32.728 1.00 16.12 ? 61  GLY B O   1 
ATOM   466  N N   . ALA A 1 56  ? -23.882 -8.007  -32.901 1.00 16.26 ? 62  ALA B N   1 
ATOM   467  C CA  . ALA A 1 56  ? -23.369 -8.191  -34.280 1.00 18.35 ? 62  ALA B CA  1 
ATOM   468  C C   . ALA A 1 56  ? -22.254 -9.243  -34.298 1.00 18.39 ? 62  ALA B C   1 
ATOM   469  O O   . ALA A 1 56  ? -22.098 -9.951  -35.313 1.00 22.12 ? 62  ALA B O   1 
ATOM   470  C CB  . ALA A 1 56  ? -22.882 -6.847  -34.733 1.00 18.97 ? 62  ALA B CB  1 
ATOM   471  N N   . GLN A 1 57  ? -21.490 -9.350  -33.218 1.00 18.63 ? 63  GLN B N   1 
ATOM   472  C CA  . GLN A 1 57  ? -20.280 -10.202 -33.187 1.00 18.09 ? 63  GLN B CA  1 
ATOM   473  C C   . GLN A 1 57  ? -20.713 -11.673 -33.171 1.00 20.45 ? 63  GLN B C   1 
ATOM   474  O O   . GLN A 1 57  ? -21.728 -11.997 -32.531 1.00 18.06 ? 63  GLN B O   1 
ATOM   475  C CB  . GLN A 1 57  ? -19.406 -9.838  -31.974 1.00 19.78 ? 63  GLN B CB  1 
ATOM   476  C CG  . GLN A 1 57  ? -18.712 -8.480  -32.041 1.00 23.71 ? 63  GLN B CG  1 
ATOM   477  C CD  . GLN A 1 57  ? -19.668 -7.311  -31.907 1.00 23.01 ? 63  GLN B CD  1 
ATOM   478  O OE1 . GLN A 1 57  ? -20.640 -7.346  -31.169 1.00 19.68 ? 63  GLN B OE1 1 
ATOM   479  N NE2 . GLN A 1 57  ? -19.393 -6.230  -32.602 1.00 23.90 ? 63  GLN B NE2 1 
ATOM   480  N N   . ARG A 1 58  ? -19.982 -12.532 -33.891 1.00 18.12 ? 64  ARG B N   1 
ATOM   481  C CA  . ARG A 1 58  ? -20.146 -14.002 -33.892 1.00 18.90 ? 64  ARG B CA  1 
ATOM   482  C C   . ARG A 1 58  ? -18.869 -14.602 -33.313 1.00 19.06 ? 64  ARG B C   1 
ATOM   483  O O   . ARG A 1 58  ? -17.768 -14.144 -33.695 1.00 20.57 ? 64  ARG B O   1 
ATOM   484  C CB  . ARG A 1 58  ? -20.283 -14.599 -35.302 1.00 24.02 ? 64  ARG B CB  1 
ATOM   485  C CG  . ARG A 1 58  ? -21.655 -14.454 -35.962 1.00 31.35 ? 64  ARG B CG  1 
ATOM   486  C CD  . ARG A 1 58  ? -22.219 -13.051 -35.837 1.00 34.86 ? 64  ARG B CD  1 
ATOM   487  N NE  . ARG A 1 58  ? -23.103 -12.416 -36.817 1.00 39.35 ? 64  ARG B NE  1 
ATOM   488  C CZ  . ARG A 1 58  ? -23.770 -12.973 -37.820 1.00 39.58 ? 64  ARG B CZ  1 
ATOM   489  N NH1 . ARG A 1 58  ? -24.528 -12.197 -38.572 1.00 42.10 ? 64  ARG B NH1 1 
ATOM   490  N NH2 . ARG A 1 58  ? -23.727 -14.267 -38.069 1.00 41.53 ? 64  ARG B NH2 1 
ATOM   491  N N   . PHE A 1 59  ? -19.004 -15.536 -32.378 1.00 18.01 ? 65  PHE B N   1 
ATOM   492  C CA  . PHE A 1 59  ? -17.854 -16.186 -31.704 1.00 17.69 ? 65  PHE B CA  1 
ATOM   493  C C   . PHE A 1 59  ? -17.900 -17.680 -32.007 1.00 17.13 ? 65  PHE B C   1 
ATOM   494  O O   . PHE A 1 59  ? -18.924 -18.280 -31.775 1.00 15.95 ? 65  PHE B O   1 
ATOM   495  C CB  . PHE A 1 59  ? -17.948 -15.916 -30.190 1.00 19.70 ? 65  PHE B CB  1 
ATOM   496  C CG  . PHE A 1 59  ? -17.916 -14.449 -29.844 1.00 21.37 ? 65  PHE B CG  1 
ATOM   497  C CD1 . PHE A 1 59  ? -16.920 -13.620 -30.342 1.00 23.83 ? 65  PHE B CD1 1 
ATOM   498  C CD2 . PHE A 1 59  ? -18.908 -13.897 -29.069 1.00 26.99 ? 65  PHE B CD2 1 
ATOM   499  C CE1 . PHE A 1 59  ? -16.890 -12.262 -30.049 1.00 25.82 ? 65  PHE B CE1 1 
ATOM   500  C CE2 . PHE A 1 59  ? -18.863 -12.543 -28.760 1.00 22.45 ? 65  PHE B CE2 1 
ATOM   501  C CZ  . PHE A 1 59  ? -17.871 -11.740 -29.255 1.00 23.71 ? 65  PHE B CZ  1 
ATOM   502  N N   A SER A 1 60  ? -16.791 -18.266 -32.476 0.25 16.92 ? 66  SER B N   1 
ATOM   503  N N   B SER A 1 60  ? -16.794 -18.259 -32.502 0.25 17.16 ? 66  SER B N   1 
ATOM   504  C CA  A SER A 1 60  ? -16.696 -19.721 -32.767 0.25 17.30 ? 66  SER B CA  1 
ATOM   505  C CA  B SER A 1 60  ? -16.665 -19.713 -32.802 0.25 17.82 ? 66  SER B CA  1 
ATOM   506  C C   A SER A 1 60  ? -15.467 -20.333 -32.069 0.25 17.39 ? 66  SER B C   1 
ATOM   507  C C   B SER A 1 60  ? -15.390 -20.293 -32.174 0.25 18.59 ? 66  SER B C   1 
ATOM   508  O O   A SER A 1 60  ? -15.290 -21.562 -32.141 0.25 17.45 ? 66  SER B O   1 
ATOM   509  O O   B SER A 1 60  ? -14.995 -21.410 -32.565 0.25 18.95 ? 66  SER B O   1 
ATOM   510  C CB  A SER A 1 60  ? -16.707 -19.949 -34.265 0.25 17.68 ? 66  SER B CB  1 
ATOM   511  C CB  B SER A 1 60  ? -16.662 -19.954 -34.288 0.25 17.78 ? 66  SER B CB  1 
ATOM   512  O OG  A SER A 1 60  ? -18.026 -19.738 -34.785 0.25 18.22 ? 66  SER B OG  1 
ATOM   513  O OG  B SER A 1 60  ? -15.617 -19.232 -34.905 0.25 17.67 ? 66  SER B OG  1 
ATOM   514  N N   A SER A 1 61  ? -14.673 -19.508 -31.385 0.25 17.10 ? 67  SER B N   1 
ATOM   515  N N   B SER A 1 61  ? -14.756 -19.553 -31.269 0.25 18.88 ? 67  SER B N   1 
ATOM   516  C CA  A SER A 1 61  ? -13.458 -19.941 -30.652 0.25 17.50 ? 67  SER B CA  1 
ATOM   517  C CA  B SER A 1 61  ? -13.473 -19.944 -30.640 0.25 19.68 ? 67  SER B CA  1 
ATOM   518  C C   A SER A 1 61  ? -13.146 -18.958 -29.523 0.25 18.58 ? 67  SER B C   1 
ATOM   519  C C   B SER A 1 61  ? -13.079 -18.926 -29.572 0.25 19.90 ? 67  SER B C   1 
ATOM   520  O O   A SER A 1 61  ? -13.747 -17.873 -29.509 0.25 18.19 ? 67  SER B O   1 
ATOM   521  O O   B SER A 1 61  ? -13.524 -17.770 -29.672 0.25 19.09 ? 67  SER B O   1 
ATOM   522  C CB  A SER A 1 61  ? -12.291 -20.058 -31.601 0.25 17.56 ? 67  SER B CB  1 
ATOM   523  C CB  B SER A 1 61  ? -12.402 -20.059 -31.693 0.25 20.86 ? 67  SER B CB  1 
ATOM   524  O OG  A SER A 1 61  ? -11.787 -18.778 -31.936 0.25 15.78 ? 67  SER B OG  1 
ATOM   525  O OG  B SER A 1 61  ? -11.233 -20.640 -31.142 0.25 21.56 ? 67  SER B OG  1 
ATOM   526  N N   . GLY A 1 62  ? -12.231 -19.339 -28.624 1.00 20.14 ? 68  GLY B N   1 
ATOM   527  C CA  . GLY A 1 62  ? -11.604 -18.396 -27.691 1.00 21.64 ? 68  GLY B CA  1 
ATOM   528  C C   . GLY A 1 62  ? -12.439 -18.081 -26.472 1.00 20.26 ? 68  GLY B C   1 
ATOM   529  O O   . GLY A 1 62  ? -13.455 -18.754 -26.203 1.00 18.00 ? 68  GLY B O   1 
ATOM   530  N N   . LYS A 1 63  ? -11.966 -17.066 -25.768 1.00 19.13 ? 69  LYS B N   1 
ATOM   531  C CA  . LYS A 1 63  ? -12.524 -16.612 -24.496 1.00 17.75 ? 69  LYS B CA  1 
ATOM   532  C C   . LYS A 1 63  ? -12.960 -15.167 -24.714 1.00 17.30 ? 69  LYS B C   1 
ATOM   533  O O   . LYS A 1 63  ? -12.181 -14.374 -25.235 1.00 19.39 ? 69  LYS B O   1 
ATOM   534  C CB  . LYS A 1 63  ? -11.488 -16.775 -23.386 1.00 19.15 ? 69  LYS B CB  1 
ATOM   535  C CG  . LYS A 1 63  ? -11.129 -18.210 -23.032 1.00 20.81 ? 69  LYS B CG  1 
ATOM   536  C CD  . LYS A 1 63  ? -9.963  -18.279 -22.019 1.00 24.35 ? 69  LYS B CD  1 
ATOM   537  C CE  . LYS A 1 63  ? -9.589  -19.697 -21.655 1.00 27.08 ? 69  LYS B CE  1 
ATOM   538  N NZ  . LYS A 1 63  ? -8.607  -19.687 -20.560 1.00 30.68 ? 69  LYS B NZ  1 
ATOM   539  N N   . MET A 1 64  ? -14.178 -14.844 -24.282 1.00 17.73 ? 70  MET B N   1 
ATOM   540  C CA  . MET A 1 64  ? -14.819 -13.530 -24.491 1.00 17.02 ? 70  MET B CA  1 
ATOM   541  C C   . MET A 1 64  ? -15.491 -13.078 -23.193 1.00 15.92 ? 70  MET B C   1 
ATOM   542  O O   . MET A 1 64  ? -16.039 -13.906 -22.494 1.00 17.60 ? 70  MET B O   1 
ATOM   543  C CB  . MET A 1 64  ? -15.913 -13.631 -25.543 1.00 17.21 ? 70  MET B CB  1 
ATOM   544  C CG  . MET A 1 64  ? -15.455 -13.769 -26.974 1.00 19.27 ? 70  MET B CG  1 
ATOM   545  S SD  . MET A 1 64  ? -14.714 -15.352 -27.484 1.00 21.41 ? 70  MET B SD  1 
ATOM   546  C CE  . MET A 1 64  ? -15.932 -16.570 -27.046 1.00 19.64 ? 70  MET B CE  1 
ATOM   547  N N   . TYR A 1 65  ? -15.435 -11.790 -22.910 1.00 15.61 ? 71  TYR B N   1 
ATOM   548  C CA  . TYR A 1 65  ? -16.031 -11.200 -21.691 1.00 16.60 ? 71  TYR B CA  1 
ATOM   549  C C   . TYR A 1 65  ? -16.650 -9.864  -22.059 1.00 16.52 ? 71  TYR B C   1 
ATOM   550  O O   . TYR A 1 65  ? -16.021 -9.057  -22.827 1.00 17.98 ? 71  TYR B O   1 
ATOM   551  C CB  . TYR A 1 65  ? -14.965 -10.982 -20.615 1.00 19.14 ? 71  TYR B CB  1 
ATOM   552  C CG  . TYR A 1 65  ? -15.496 -10.383 -19.337 1.00 17.51 ? 71  TYR B CG  1 
ATOM   553  C CD1 . TYR A 1 65  ? -16.197 -11.166 -18.434 1.00 17.23 ? 71  TYR B CD1 1 
ATOM   554  C CD2 . TYR A 1 65  ? -15.349 -9.029  -19.074 1.00 18.44 ? 71  TYR B CD2 1 
ATOM   555  C CE1 . TYR A 1 65  ? -16.732 -10.632 -17.265 1.00 18.49 ? 71  TYR B CE1 1 
ATOM   556  C CE2 . TYR A 1 65  ? -15.846 -8.484  -17.899 1.00 18.65 ? 71  TYR B CE2 1 
ATOM   557  C CZ  . TYR A 1 65  ? -16.554 -9.268  -17.018 1.00 17.51 ? 71  TYR B CZ  1 
ATOM   558  O OH  . TYR A 1 65  ? -17.016 -8.672  -15.892 1.00 20.47 ? 71  TYR B OH  1 
ATOM   559  N N   . TRP A 1 66  ? -17.865 -9.600  -21.593 1.00 15.86 ? 72  TRP B N   1 
ATOM   560  C CA  . TRP A 1 66  ? -18.447 -8.239  -21.701 1.00 15.70 ? 72  TRP B CA  1 
ATOM   561  C C   . TRP A 1 66  ? -19.344 -7.950  -20.483 1.00 16.54 ? 72  TRP B C   1 
ATOM   562  O O   . TRP A 1 66  ? -19.663 -8.890  -19.729 1.00 16.20 ? 72  TRP B O   1 
ATOM   563  C CB  . TRP A 1 66  ? -19.219 -8.036  -23.034 1.00 15.40 ? 72  TRP B CB  1 
ATOM   564  C CG  . TRP A 1 66  ? -20.399 -8.930  -23.270 1.00 15.00 ? 72  TRP B CG  1 
ATOM   565  C CD1 . TRP A 1 66  ? -21.741 -8.638  -23.075 1.00 15.39 ? 72  TRP B CD1 1 
ATOM   566  C CD2 . TRP A 1 66  ? -20.384 -10.253 -23.832 1.00 17.28 ? 72  TRP B CD2 1 
ATOM   567  N NE1 . TRP A 1 66  ? -22.520 -9.687  -23.512 1.00 16.64 ? 72  TRP B NE1 1 
ATOM   568  C CE2 . TRP A 1 66  ? -21.716 -10.705 -23.915 1.00 16.29 ? 72  TRP B CE2 1 
ATOM   569  C CE3 . TRP A 1 66  ? -19.356 -11.110 -24.233 1.00 19.17 ? 72  TRP B CE3 1 
ATOM   570  C CZ2 . TRP A 1 66  ? -22.043 -11.963 -24.417 1.00 18.11 ? 72  TRP B CZ2 1 
ATOM   571  C CZ3 . TRP A 1 66  ? -19.678 -12.363 -24.697 1.00 21.18 ? 72  TRP B CZ3 1 
ATOM   572  C CH2 . TRP A 1 66  ? -21.000 -12.771 -24.800 1.00 19.13 ? 72  TRP B CH2 1 
ATOM   573  N N   . GLU A 1 67  ? -19.763 -6.684  -20.311 1.00 16.61 ? 73  GLU B N   1 
ATOM   574  C CA  . GLU A 1 67  ? -20.592 -6.266  -19.148 1.00 16.17 ? 73  GLU B CA  1 
ATOM   575  C C   . GLU A 1 67  ? -21.816 -5.538  -19.655 1.00 16.57 ? 73  GLU B C   1 
ATOM   576  O O   . GLU A 1 67  ? -21.706 -4.817  -20.656 1.00 15.40 ? 73  GLU B O   1 
ATOM   577  C CB  . GLU A 1 67  ? -19.775 -5.411  -18.189 1.00 18.14 ? 73  GLU B CB  1 
ATOM   578  C CG  . GLU A 1 67  ? -18.679 -6.258  -17.523 1.00 20.05 ? 73  GLU B CG  1 
ATOM   579  C CD  . GLU A 1 67  ? -17.817 -5.499  -16.536 1.00 24.76 ? 73  GLU B CD  1 
ATOM   580  O OE1 . GLU A 1 67  ? -17.970 -4.245  -16.521 1.00 27.09 ? 73  GLU B OE1 1 
ATOM   581  O OE2 . GLU A 1 67  ? -17.015 -6.154  -15.769 1.00 23.14 ? 73  GLU B OE2 1 
ATOM   582  N N   . VAL A 1 68  ? -22.924 -5.703  -18.945 1.00 16.25 ? 74  VAL B N   1 
ATOM   583  C CA  . VAL A 1 68  ? -24.204 -5.060  -19.317 1.00 16.16 ? 74  VAL B CA  1 
ATOM   584  C C   . VAL A 1 68  ? -24.796 -4.373  -18.083 1.00 15.57 ? 74  VAL B C   1 
ATOM   585  O O   . VAL A 1 68  ? -24.880 -5.010  -17.018 1.00 16.01 ? 74  VAL B O   1 
ATOM   586  C CB  . VAL A 1 68  ? -25.217 -6.078  -19.845 1.00 16.31 ? 74  VAL B CB  1 
ATOM   587  C CG1 . VAL A 1 68  ? -26.484 -5.379  -20.308 1.00 17.18 ? 74  VAL B CG1 1 
ATOM   588  C CG2 . VAL A 1 68  ? -24.604 -6.991  -20.896 1.00 17.01 ? 74  VAL B CG2 1 
ATOM   589  N N   . ASP A 1 69  ? -25.251 -3.131  -18.252 1.00 15.79 ? 75  ASP B N   1 
ATOM   590  C CA  . ASP A 1 69  ? -25.886 -2.318  -17.187 1.00 16.72 ? 75  ASP B CA  1 
ATOM   591  C C   . ASP A 1 69  ? -27.377 -2.599  -17.231 1.00 15.56 ? 75  ASP B C   1 
ATOM   592  O O   . ASP A 1 69  ? -27.961 -2.516  -18.367 1.00 17.51 ? 75  ASP B O   1 
ATOM   593  C CB  . ASP A 1 69  ? -25.586 -0.815  -17.361 1.00 18.79 ? 75  ASP B CB  1 
ATOM   594  C CG  . ASP A 1 69  ? -25.966 -0.013  -16.124 1.00 20.66 ? 75  ASP B CG  1 
ATOM   595  O OD1 . ASP A 1 69  ? -27.138 0.009   -15.750 1.00 21.04 ? 75  ASP B OD1 1 
ATOM   596  O OD2 . ASP A 1 69  ? -25.068 0.464   -15.486 1.00 28.53 ? 75  ASP B OD2 1 
ATOM   597  N N   . VAL A 1 70  ? -27.956 -3.027  -16.105 1.00 16.09 ? 76  VAL B N   1 
ATOM   598  C CA  . VAL A 1 70  ? -29.401 -3.359  -15.926 1.00 15.45 ? 76  VAL B CA  1 
ATOM   599  C C   . VAL A 1 70  ? -30.066 -2.446  -14.875 1.00 16.49 ? 76  VAL B C   1 
ATOM   600  O O   . VAL A 1 70  ? -31.162 -2.774  -14.406 1.00 16.97 ? 76  VAL B O   1 
ATOM   601  C CB  . VAL A 1 70  ? -29.561 -4.866  -15.574 1.00 16.15 ? 76  VAL B CB  1 
ATOM   602  C CG1 . VAL A 1 70  ? -28.956 -5.731  -16.693 1.00 16.50 ? 76  VAL B CG1 1 
ATOM   603  C CG2 . VAL A 1 70  ? -28.955 -5.240  -14.228 1.00 16.74 ? 76  VAL B CG2 1 
ATOM   604  N N   . THR A 1 71  ? -29.442 -1.315  -14.529 1.00 16.79 ? 77  THR B N   1 
ATOM   605  C CA  . THR A 1 71  ? -29.933 -0.419  -13.470 1.00 18.63 ? 77  THR B CA  1 
ATOM   606  C C   . THR A 1 71  ? -31.432 -0.108  -13.677 1.00 19.09 ? 77  THR B C   1 
ATOM   607  O O   . THR A 1 71  ? -31.848 0.241   -14.808 1.00 19.12 ? 77  THR B O   1 
ATOM   608  C CB  . THR A 1 71  ? -29.121 0.876   -13.434 1.00 18.36 ? 77  THR B CB  1 
ATOM   609  O OG1 . THR A 1 71  ? -27.741 0.611   -13.177 1.00 22.17 ? 77  THR B OG1 1 
ATOM   610  C CG2 . THR A 1 71  ? -29.689 1.772   -12.361 1.00 20.47 ? 77  THR B CG2 1 
ATOM   611  N N   . GLN A 1 72  ? -32.189 -0.262  -12.587 1.00 23.10 ? 78  GLN B N   1 
ATOM   612  C CA  . GLN A 1 72  ? -33.625 0.085   -12.368 1.00 26.91 ? 78  GLN B CA  1 
ATOM   613  C C   . GLN A 1 72  ? -34.563 -0.708  -13.286 1.00 28.12 ? 78  GLN B C   1 
ATOM   614  O O   . GLN A 1 72  ? -35.775 -0.410  -13.288 1.00 32.23 ? 78  GLN B O   1 
ATOM   615  C CB  . GLN A 1 72  ? -33.845 1.603   -12.412 1.00 34.83 ? 78  GLN B CB  1 
ATOM   616  C CG  . GLN A 1 72  ? -33.562 2.279   -13.752 1.00 41.24 ? 78  GLN B CG  1 
ATOM   617  C CD  . GLN A 1 72  ? -34.547 3.355   -14.170 1.00 47.64 ? 78  GLN B CD  1 
ATOM   618  O OE1 . GLN A 1 72  ? -34.178 4.353   -14.804 1.00 50.56 ? 78  GLN B OE1 1 
ATOM   619  N NE2 . GLN A 1 72  ? -35.827 3.117   -13.904 1.00 52.00 ? 78  GLN B NE2 1 
ATOM   620  N N   . LYS A 1 73  ? -34.100 -1.748  -13.971 1.00 18.97 ? 79  LYS B N   1 
ATOM   621  C CA  . LYS A 1 73  ? -35.039 -2.653  -14.679 1.00 18.51 ? 79  LYS B CA  1 
ATOM   622  C C   . LYS A 1 73  ? -35.702 -3.696  -13.753 1.00 17.34 ? 79  LYS B C   1 
ATOM   623  O O   . LYS A 1 73  ? -35.069 -4.195  -12.778 1.00 18.51 ? 79  LYS B O   1 
ATOM   624  C CB  . LYS A 1 73  ? -34.268 -3.310  -15.825 1.00 18.50 ? 79  LYS B CB  1 
ATOM   625  C CG  . LYS A 1 73  ? -33.796 -2.304  -16.882 1.00 18.71 ? 79  LYS B CG  1 
ATOM   626  C CD  . LYS A 1 73  ? -33.348 -2.931  -18.198 1.00 19.95 ? 79  LYS B CD  1 
ATOM   627  C CE  . LYS A 1 73  ? -34.424 -3.709  -18.930 1.00 19.64 ? 79  LYS B CE  1 
ATOM   628  N NZ  . LYS A 1 73  ? -35.602 -2.860  -19.261 1.00 17.72 ? 79  LYS B NZ  1 
ATOM   629  N N   . GLU A 1 74  ? -36.966 -3.962  -14.037 1.00 16.54 ? 80  GLU B N   1 
ATOM   630  C CA  . GLU A 1 74  ? -37.804 -4.988  -13.381 1.00 16.29 ? 80  GLU B CA  1 
ATOM   631  C C   . GLU A 1 74  ? -37.653 -6.342  -14.069 1.00 16.36 ? 80  GLU B C   1 
ATOM   632  O O   . GLU A 1 74  ? -37.987 -7.353  -13.447 1.00 16.55 ? 80  GLU B O   1 
ATOM   633  C CB  . GLU A 1 74  ? -39.283 -4.577  -13.408 1.00 17.81 ? 80  GLU B CB  1 
ATOM   634  C CG  . GLU A 1 74  ? -39.569 -3.381  -12.546 1.00 20.08 ? 80  GLU B CG  1 
ATOM   635  C CD  . GLU A 1 74  ? -41.040 -2.976  -12.703 1.00 19.88 ? 80  GLU B CD  1 
ATOM   636  O OE1 . GLU A 1 74  ? -41.464 -2.152  -11.910 1.00 21.73 ? 80  GLU B OE1 1 
ATOM   637  O OE2 . GLU A 1 74  ? -41.753 -3.533  -13.635 1.00 23.57 ? 80  GLU B OE2 1 
ATOM   638  N N   . ALA A 1 75  ? -37.312 -6.379  -15.359 1.00 15.67 ? 81  ALA B N   1 
ATOM   639  C CA  . ALA A 1 75  ? -37.351 -7.650  -16.119 1.00 15.23 ? 81  ALA B CA  1 
ATOM   640  C C   . ALA A 1 75  ? -36.352 -7.560  -17.267 1.00 16.46 ? 81  ALA B C   1 
ATOM   641  O O   . ALA A 1 75  ? -36.240 -6.482  -17.902 1.00 15.62 ? 81  ALA B O   1 
ATOM   642  C CB  . ALA A 1 75  ? -38.735 -7.929  -16.654 1.00 16.26 ? 81  ALA B CB  1 
ATOM   643  N N   . TRP A 1 76  ? -35.628 -8.635  -17.507 1.00 15.63 ? 82  TRP B N   1 
ATOM   644  C CA  . TRP A 1 76  ? -34.643 -8.703  -18.634 1.00 15.46 ? 82  TRP B CA  1 
ATOM   645  C C   . TRP A 1 76  ? -34.133 -10.120 -18.744 1.00 15.73 ? 82  TRP B C   1 
ATOM   646  O O   . TRP A 1 76  ? -34.259 -10.862 -17.756 1.00 14.81 ? 82  TRP B O   1 
ATOM   647  C CB  . TRP A 1 76  ? -33.462 -7.736  -18.465 1.00 16.40 ? 82  TRP B CB  1 
ATOM   648  C CG  . TRP A 1 76  ? -32.798 -7.765  -17.121 1.00 15.27 ? 82  TRP B CG  1 
ATOM   649  C CD1 . TRP A 1 76  ? -33.015 -6.896  -16.108 1.00 16.80 ? 82  TRP B CD1 1 
ATOM   650  C CD2 . TRP A 1 76  ? -31.840 -8.716  -16.609 1.00 15.53 ? 82  TRP B CD2 1 
ATOM   651  N NE1 . TRP A 1 76  ? -32.259 -7.205  -15.005 1.00 17.31 ? 82  TRP B NE1 1 
ATOM   652  C CE2 . TRP A 1 76  ? -31.560 -8.357  -15.274 1.00 17.06 ? 82  TRP B CE2 1 
ATOM   653  C CE3 . TRP A 1 76  ? -31.228 -9.859  -17.151 1.00 16.94 ? 82  TRP B CE3 1 
ATOM   654  C CZ2 . TRP A 1 76  ? -30.622 -9.025  -14.494 1.00 15.56 ? 82  TRP B CZ2 1 
ATOM   655  C CZ3 . TRP A 1 76  ? -30.308 -10.531 -16.376 1.00 15.16 ? 82  TRP B CZ3 1 
ATOM   656  C CH2 . TRP A 1 76  ? -30.043 -10.142 -15.050 1.00 17.73 ? 82  TRP B CH2 1 
ATOM   657  N N   . ASP A 1 77  ? -33.595 -10.456 -19.917 1.00 14.07 ? 83  ASP B N   1 
ATOM   658  C CA  . ASP A 1 77  ? -32.856 -11.730 -20.143 1.00 16.02 ? 83  ASP B CA  1 
ATOM   659  C C   . ASP A 1 77  ? -31.486 -11.335 -20.717 1.00 14.05 ? 83  ASP B C   1 
ATOM   660  O O   . ASP A 1 77  ? -31.436 -10.423 -21.600 1.00 14.49 ? 83  ASP B O   1 
ATOM   661  C CB  . ASP A 1 77  ? -33.556 -12.727 -21.072 1.00 16.97 ? 83  ASP B CB  1 
ATOM   662  C CG  . ASP A 1 77  ? -35.060 -12.920 -20.932 1.00 20.54 ? 83  ASP B CG  1 
ATOM   663  O OD1 . ASP A 1 77  ? -35.526 -12.927 -19.834 1.00 22.10 ? 83  ASP B OD1 1 
ATOM   664  O OD2 . ASP A 1 77  ? -35.710 -13.126 -21.957 1.00 19.88 ? 83  ASP B OD2 1 
ATOM   665  N N   . LEU A 1 78  ? -30.420 -12.018 -20.325 1.00 13.54 ? 84  LEU B N   1 
ATOM   666  C CA  . LEU A 1 78  ? -29.058 -11.787 -20.877 1.00 13.39 ? 84  LEU B CA  1 
ATOM   667  C C   . LEU A 1 78  ? -28.330 -13.112 -21.050 1.00 13.37 ? 84  LEU B C   1 
ATOM   668  O O   . LEU A 1 78  ? -28.459 -14.008 -20.205 1.00 12.07 ? 84  LEU B O   1 
ATOM   669  C CB  . LEU A 1 78  ? -28.229 -10.916 -19.944 1.00 13.91 ? 84  LEU B CB  1 
ATOM   670  C CG  . LEU A 1 78  ? -28.620 -9.442  -19.844 1.00 15.03 ? 84  LEU B CG  1 
ATOM   671  C CD1 . LEU A 1 78  ? -27.791 -8.811  -18.735 1.00 16.51 ? 84  LEU B CD1 1 
ATOM   672  C CD2 . LEU A 1 78  ? -28.411 -8.772  -21.177 1.00 16.48 ? 84  LEU B CD2 1 
ATOM   673  N N   . GLY A 1 79  ? -27.511 -13.174 -22.086 1.00 12.34 ? 85  GLY B N   1 
ATOM   674  C CA  . GLY A 1 79  ? -26.483 -14.212 -22.190 1.00 13.31 ? 85  GLY B CA  1 
ATOM   675  C C   . GLY A 1 79  ? -25.986 -14.328 -23.624 1.00 12.82 ? 85  GLY B C   1 
ATOM   676  O O   . GLY A 1 79  ? -25.630 -13.336 -24.210 1.00 12.81 ? 85  GLY B O   1 
ATOM   677  N N   A VAL A 1 80  ? -25.927 -15.562 -24.136 0.25 12.92 ? 86  VAL B N   1 
ATOM   678  N N   B VAL A 1 80  ? -26.031 -15.536 -24.176 0.25 13.34 ? 86  VAL B N   1 
ATOM   679  C CA  A VAL A 1 80  ? -25.531 -15.878 -25.541 0.25 13.00 ? 86  VAL B CA  1 
ATOM   680  C CA  B VAL A 1 80  ? -25.505 -15.825 -25.538 0.25 13.63 ? 86  VAL B CA  1 
ATOM   681  C C   A VAL A 1 80  ? -26.557 -16.822 -26.160 0.25 13.10 ? 86  VAL B C   1 
ATOM   682  C C   B VAL A 1 80  ? -26.370 -16.929 -26.156 0.25 13.39 ? 86  VAL B C   1 
ATOM   683  O O   A VAL A 1 80  ? -27.340 -17.466 -25.443 0.25 13.64 ? 86  VAL B O   1 
ATOM   684  O O   B VAL A 1 80  ? -26.884 -17.774 -25.408 0.25 13.71 ? 86  VAL B O   1 
ATOM   685  C CB  A VAL A 1 80  ? -24.132 -16.517 -25.634 0.25 13.17 ? 86  VAL B CB  1 
ATOM   686  C CB  B VAL A 1 80  ? -24.013 -16.202 -25.440 0.25 14.32 ? 86  VAL B CB  1 
ATOM   687  C CG1 A VAL A 1 80  ? -23.037 -15.526 -25.301 0.25 13.02 ? 86  VAL B CG1 1 
ATOM   688  C CG1 B VAL A 1 80  ? -23.826 -17.559 -24.781 0.25 14.76 ? 86  VAL B CG1 1 
ATOM   689  C CG2 A VAL A 1 80  ? -24.028 -17.758 -24.762 0.25 13.43 ? 86  VAL B CG2 1 
ATOM   690  C CG2 B VAL A 1 80  ? -23.306 -16.159 -26.780 0.25 15.16 ? 86  VAL B CG2 1 
ATOM   691  N N   . CYS A 1 81  ? -26.530 -16.924 -27.480 1.00 12.90 ? 87  CYS B N   1 
ATOM   692  C CA  . CYS A 1 81  ? -27.337 -17.912 -28.163 1.00 13.81 ? 87  CYS B CA  1 
ATOM   693  C C   . CYS A 1 81  ? -26.658 -18.296 -29.479 1.00 14.09 ? 87  CYS B C   1 
ATOM   694  O O   . CYS A 1 81  ? -25.778 -17.586 -29.975 1.00 14.56 ? 87  CYS B O   1 
ATOM   695  C CB  . CYS A 1 81  ? -28.750 -17.377 -28.398 1.00 15.09 ? 87  CYS B CB  1 
ATOM   696  S SG  . CYS A 1 81  ? -28.816 -15.985 -29.573 1.00 16.70 ? 87  CYS B SG  1 
ATOM   697  N N   A ARG A 1 82  ? -27.060 -19.441 -30.011 0.25 14.90 ? 88  ARG B N   1 
ATOM   698  N N   B ARG A 1 82  ? -27.069 -19.434 -30.021 0.25 13.78 ? 88  ARG B N   1 
ATOM   699  C CA  A ARG A 1 82  ? -26.645 -19.892 -31.356 0.25 16.10 ? 88  ARG B CA  1 
ATOM   700  C CA  B ARG A 1 82  ? -26.617 -19.916 -31.345 0.25 14.15 ? 88  ARG B CA  1 
ATOM   701  C C   A ARG A 1 82  ? -27.096 -18.858 -32.387 0.25 15.83 ? 88  ARG B C   1 
ATOM   702  C C   B ARG A 1 82  ? -27.126 -18.943 -32.418 0.25 14.76 ? 88  ARG B C   1 
ATOM   703  O O   A ARG A 1 82  ? -28.179 -18.267 -32.216 0.25 15.54 ? 88  ARG B O   1 
ATOM   704  O O   B ARG A 1 82  ? -28.285 -18.472 -32.306 0.25 14.43 ? 88  ARG B O   1 
ATOM   705  C CB  A ARG A 1 82  ? -27.267 -21.250 -31.676 0.25 17.44 ? 88  ARG B CB  1 
ATOM   706  C CB  B ARG A 1 82  ? -27.118 -21.346 -31.575 0.25 13.88 ? 88  ARG B CB  1 
ATOM   707  C CG  A ARG A 1 82  ? -26.592 -22.404 -30.961 0.25 18.80 ? 88  ARG B CG  1 
ATOM   708  C CG  B ARG A 1 82  ? -26.398 -22.076 -32.699 0.25 13.58 ? 88  ARG B CG  1 
ATOM   709  C CD  A ARG A 1 82  ? -27.298 -23.697 -31.297 0.25 20.12 ? 88  ARG B CD  1 
ATOM   710  C CD  B ARG A 1 82  ? -26.960 -23.454 -32.951 0.25 13.45 ? 88  ARG B CD  1 
ATOM   711  N NE  A ARG A 1 82  ? -27.033 -24.723 -30.304 0.25 19.87 ? 88  ARG B NE  1 
ATOM   712  N NE  B ARG A 1 82  ? -26.852 -24.281 -31.770 0.25 13.36 ? 88  ARG B NE  1 
ATOM   713  C CZ  A ARG A 1 82  ? -27.893 -25.671 -29.989 0.25 20.36 ? 88  ARG B CZ  1 
ATOM   714  C CZ  B ARG A 1 82  ? -27.880 -24.861 -31.146 0.25 12.57 ? 88  ARG B CZ  1 
ATOM   715  N NH1 A ARG A 1 82  ? -29.081 -25.694 -30.566 0.25 19.59 ? 88  ARG B NH1 1 
ATOM   716  N NH1 B ARG A 1 82  ? -29.104 -24.746 -31.614 0.25 13.36 ? 88  ARG B NH1 1 
ATOM   717  N NH2 A ARG A 1 82  ? -27.567 -26.582 -29.091 0.25 22.54 ? 88  ARG B NH2 1 
ATOM   718  N NH2 B ARG A 1 82  ? -27.671 -25.566 -30.051 0.25 12.40 ? 88  ARG B NH2 1 
ATOM   719  N N   . ASP A 1 83  ? -26.315 -18.684 -33.448 1.00 16.19 ? 89  ASP B N   1 
ATOM   720  C CA  . ASP A 1 83  ? -26.718 -17.754 -34.544 1.00 18.05 ? 89  ASP B CA  1 
ATOM   721  C C   . ASP A 1 83  ? -28.031 -18.230 -35.171 1.00 19.37 ? 89  ASP B C   1 
ATOM   722  O O   . ASP A 1 83  ? -28.759 -17.365 -35.664 1.00 22.29 ? 89  ASP B O   1 
ATOM   723  C CB  . ASP A 1 83  ? -25.585 -17.604 -35.543 1.00 19.10 ? 89  ASP B CB  1 
ATOM   724  C CG  . ASP A 1 83  ? -25.192 -18.868 -36.277 1.00 22.10 ? 89  ASP B CG  1 
ATOM   725  O OD1 . ASP A 1 83  ? -25.631 -19.992 -35.883 1.00 22.21 ? 89  ASP B OD1 1 
ATOM   726  O OD2 . ASP A 1 83  ? -24.434 -18.715 -37.279 1.00 24.38 ? 89  ASP B OD2 1 
ATOM   727  N N   . SER A 1 84  ? -28.369 -19.531 -35.126 1.00 17.23 ? 90  SER B N   1 
ATOM   728  C CA  . SER A 1 84  ? -29.532 -20.125 -35.821 1.00 19.47 ? 90  SER B CA  1 
ATOM   729  C C   . SER A 1 84  ? -30.781 -20.262 -34.942 1.00 16.42 ? 90  SER B C   1 
ATOM   730  O O   . SER A 1 84  ? -31.690 -20.984 -35.342 1.00 17.55 ? 90  SER B O   1 
ATOM   731  C CB  . SER A 1 84  ? -29.125 -21.456 -36.413 1.00 19.63 ? 90  SER B CB  1 
ATOM   732  O OG  . SER A 1 84  ? -28.590 -22.301 -35.430 1.00 21.61 ? 90  SER B OG  1 
ATOM   733  N N   . VAL A 1 85  ? -30.857 -19.606 -33.780 1.00 16.53 ? 91  VAL B N   1 
ATOM   734  C CA  . VAL A 1 85  ? -32.065 -19.721 -32.921 1.00 17.30 ? 91  VAL B CA  1 
ATOM   735  C C   . VAL A 1 85  ? -33.288 -19.240 -33.715 1.00 16.41 ? 91  VAL B C   1 
ATOM   736  O O   . VAL A 1 85  ? -33.175 -18.311 -34.558 1.00 16.95 ? 91  VAL B O   1 
ATOM   737  C CB  . VAL A 1 85  ? -31.964 -19.003 -31.554 1.00 15.54 ? 91  VAL B CB  1 
ATOM   738  C CG1 . VAL A 1 85  ? -30.923 -19.654 -30.667 1.00 16.20 ? 91  VAL B CG1 1 
ATOM   739  C CG2 . VAL A 1 85  ? -31.689 -17.510 -31.653 1.00 14.58 ? 91  VAL B CG2 1 
ATOM   740  N N   . GLN A 1 86  ? -34.407 -19.871 -33.411 1.00 17.94 ? 92  GLN B N   1 
ATOM   741  C CA  . GLN A 1 86  ? -35.772 -19.469 -33.884 1.00 19.61 ? 92  GLN B CA  1 
ATOM   742  C C   . GLN A 1 86  ? -35.977 -17.974 -33.587 1.00 18.46 ? 92  GLN B C   1 
ATOM   743  O O   . GLN A 1 86  ? -35.636 -17.534 -32.491 1.00 18.18 ? 92  GLN B O   1 
ATOM   744  C CB  . GLN A 1 86  ? -36.788 -20.384 -33.191 1.00 22.64 ? 92  GLN B CB  1 
ATOM   745  C CG  . GLN A 1 86  ? -38.266 -20.055 -33.373 1.00 25.76 ? 92  GLN B CG  1 
ATOM   746  C CD  . GLN A 1 86  ? -39.172 -20.906 -32.493 1.00 27.85 ? 92  GLN B CD  1 
ATOM   747  O OE1 . GLN A 1 86  ? -38.756 -21.913 -31.903 1.00 30.40 ? 92  GLN B OE1 1 
ATOM   748  N NE2 . GLN A 1 86  ? -40.453 -20.534 -32.387 1.00 28.20 ? 92  GLN B NE2 1 
ATOM   749  N N   . ARG A 1 87  ? -36.584 -17.239 -34.519 1.00 17.21 ? 93  ARG B N   1 
ATOM   750  C CA  . ARG A 1 87  ? -36.843 -15.779 -34.395 1.00 17.21 ? 93  ARG B CA  1 
ATOM   751  C C   . ARG A 1 87  ? -38.348 -15.538 -34.234 1.00 19.64 ? 93  ARG B C   1 
ATOM   752  O O   . ARG A 1 87  ? -38.677 -14.551 -33.581 1.00 18.59 ? 93  ARG B O   1 
ATOM   753  C CB  . ARG A 1 87  ? -36.297 -14.959 -35.567 1.00 16.95 ? 93  ARG B CB  1 
ATOM   754  C CG  . ARG A 1 87  ? -34.816 -15.162 -35.870 1.00 15.98 ? 93  ARG B CG  1 
ATOM   755  C CD  . ARG A 1 87  ? -33.904 -15.021 -34.663 1.00 17.02 ? 93  ARG B CD  1 
ATOM   756  N NE  . ARG A 1 87  ? -32.545 -15.448 -35.019 1.00 19.01 ? 93  ARG B NE  1 
ATOM   757  C CZ  . ARG A 1 87  ? -31.618 -14.718 -35.617 1.00 19.23 ? 93  ARG B CZ  1 
ATOM   758  N NH1 . ARG A 1 87  ? -31.839 -13.462 -35.956 1.00 21.14 ? 93  ARG B NH1 1 
ATOM   759  N NH2 . ARG A 1 87  ? -30.464 -15.275 -35.916 1.00 20.56 ? 93  ARG B NH2 1 
ATOM   760  N N   . LYS A 1 88  ? -39.209 -16.382 -34.816 1.00 18.02 ? 94  LYS B N   1 
ATOM   761  C CA  . LYS A 1 88  ? -40.671 -16.111 -34.916 1.00 18.30 ? 94  LYS B CA  1 
ATOM   762  C C   . LYS A 1 88  ? -41.458 -17.033 -34.009 1.00 20.36 ? 94  LYS B C   1 
ATOM   763  O O   . LYS A 1 88  ? -41.063 -18.204 -33.879 1.00 23.24 ? 94  LYS B O   1 
ATOM   764  C CB  . LYS A 1 88  ? -41.146 -16.306 -36.360 1.00 20.17 ? 94  LYS B CB  1 
ATOM   765  C CG  . LYS A 1 88  ? -40.319 -15.590 -37.406 1.00 21.82 ? 94  LYS B CG  1 
ATOM   766  C CD  . LYS A 1 88  ? -40.199 -14.089 -37.157 1.00 21.39 ? 94  LYS B CD  1 
ATOM   767  C CE  . LYS A 1 88  ? -39.569 -13.404 -38.342 1.00 20.40 ? 94  LYS B CE  1 
ATOM   768  N NZ  . LYS A 1 88  ? -39.361 -11.953 -38.113 1.00 21.96 ? 94  LYS B NZ  1 
ATOM   769  N N   . GLY A 1 89  ? -42.552 -16.542 -33.449 1.00 20.80 ? 95  GLY B N   1 
ATOM   770  C CA  . GLY A 1 89  ? -43.416 -17.369 -32.605 1.00 22.44 ? 95  GLY B CA  1 
ATOM   771  C C   . GLY A 1 89  ? -42.919 -17.475 -31.188 1.00 21.95 ? 95  GLY B C   1 
ATOM   772  O O   . GLY A 1 89  ? -41.978 -16.715 -30.803 1.00 21.84 ? 95  GLY B O   1 
ATOM   773  N N   . GLN A 1 90  ? -43.568 -18.347 -30.425 1.00 21.41 ? 96  GLN B N   1 
ATOM   774  C CA  . GLN A 1 90  ? -43.271 -18.559 -28.995 1.00 25.83 ? 96  GLN B CA  1 
ATOM   775  C C   . GLN A 1 90  ? -42.208 -19.637 -28.857 1.00 22.64 ? 96  GLN B C   1 
ATOM   776  O O   . GLN A 1 90  ? -42.130 -20.535 -29.730 1.00 22.29 ? 96  GLN B O   1 
ATOM   777  C CB  . GLN A 1 90  ? -44.542 -18.945 -28.242 1.00 29.54 ? 96  GLN B CB  1 
ATOM   778  C CG  . GLN A 1 90  ? -45.535 -17.805 -28.197 1.00 38.49 ? 96  GLN B CG  1 
ATOM   779  C CD  . GLN A 1 90  ? -46.923 -18.335 -27.990 1.00 47.73 ? 96  GLN B CD  1 
ATOM   780  O OE1 . GLN A 1 90  ? -47.400 -18.391 -26.860 1.00 57.28 ? 96  GLN B OE1 1 
ATOM   781  N NE2 . GLN A 1 90  ? -47.556 -18.755 -29.081 1.00 51.90 ? 96  GLN B NE2 1 
ATOM   782  N N   . PHE A 1 91  ? -41.328 -19.473 -27.882 1.00 19.74 ? 97  PHE B N   1 
ATOM   783  C CA  . PHE A 1 91  ? -40.270 -20.461 -27.540 1.00 20.80 ? 97  PHE B CA  1 
ATOM   784  C C   . PHE A 1 91  ? -39.755 -20.171 -26.139 1.00 20.32 ? 97  PHE B C   1 
ATOM   785  O O   . PHE A 1 91  ? -39.891 -19.048 -25.642 1.00 19.75 ? 97  PHE B O   1 
ATOM   786  C CB  . PHE A 1 91  ? -39.110 -20.387 -28.526 1.00 19.38 ? 97  PHE B CB  1 
ATOM   787  C CG  . PHE A 1 91  ? -38.502 -19.017 -28.673 1.00 19.34 ? 97  PHE B CG  1 
ATOM   788  C CD1 . PHE A 1 91  ? -37.492 -18.614 -27.822 1.00 21.20 ? 97  PHE B CD1 1 
ATOM   789  C CD2 . PHE A 1 91  ? -38.874 -18.174 -29.706 1.00 20.09 ? 97  PHE B CD2 1 
ATOM   790  C CE1 . PHE A 1 91  ? -36.904 -17.368 -27.980 1.00 20.14 ? 97  PHE B CE1 1 
ATOM   791  C CE2 . PHE A 1 91  ? -38.260 -16.953 -29.887 1.00 22.05 ? 97  PHE B CE2 1 
ATOM   792  C CZ  . PHE A 1 91  ? -37.275 -16.560 -29.025 1.00 20.20 ? 97  PHE B CZ  1 
ATOM   793  N N   A SER A 1 92  ? -39.161 -21.173 -25.495 0.25 21.27 ? 98  SER B N   1 
ATOM   794  N N   B SER A 1 92  ? -39.150 -21.186 -25.520 0.25 20.23 ? 98  SER B N   1 
ATOM   795  C CA  A SER A 1 92  ? -38.528 -21.032 -24.162 0.25 21.74 ? 98  SER B CA  1 
ATOM   796  C CA  B SER A 1 92  ? -38.505 -21.100 -24.187 0.25 20.02 ? 98  SER B CA  1 
ATOM   797  C C   A SER A 1 92  ? -37.020 -20.831 -24.326 0.25 20.37 ? 98  SER B C   1 
ATOM   798  C C   B SER A 1 92  ? -37.008 -20.816 -24.354 0.25 19.45 ? 98  SER B C   1 
ATOM   799  O O   A SER A 1 92  ? -36.441 -21.381 -25.284 0.25 19.96 ? 98  SER B O   1 
ATOM   800  O O   B SER A 1 92  ? -36.424 -21.274 -25.363 0.25 19.16 ? 98  SER B O   1 
ATOM   801  C CB  A SER A 1 92  ? -38.823 -22.225 -23.308 0.25 24.00 ? 98  SER B CB  1 
ATOM   802  C CB  B SER A 1 92  ? -38.748 -22.362 -23.398 0.25 20.78 ? 98  SER B CB  1 
ATOM   803  O OG  A SER A 1 92  ? -38.834 -23.386 -24.113 0.25 26.79 ? 98  SER B OG  1 
ATOM   804  O OG  B SER A 1 92  ? -40.122 -22.464 -23.043 0.25 20.99 ? 98  SER B OG  1 
ATOM   805  N N   . LEU A 1 93  ? -36.423 -20.053 -23.426 1.00 18.20 ? 99  LEU B N   1 
ATOM   806  C CA  . LEU A 1 93  ? -34.959 -19.877 -23.368 1.00 19.05 ? 99  LEU B CA  1 
ATOM   807  C C   . LEU A 1 93  ? -34.368 -21.107 -22.660 1.00 19.55 ? 99  LEU B C   1 
ATOM   808  O O   . LEU A 1 93  ? -34.480 -21.245 -21.449 1.00 20.60 ? 99  LEU B O   1 
ATOM   809  C CB  . LEU A 1 93  ? -34.617 -18.566 -22.650 1.00 19.23 ? 99  LEU B CB  1 
ATOM   810  C CG  . LEU A 1 93  ? -35.074 -17.266 -23.301 1.00 20.99 ? 99  LEU B CG  1 
ATOM   811  C CD1 . LEU A 1 93  ? -34.672 -16.073 -22.434 1.00 22.55 ? 99  LEU B CD1 1 
ATOM   812  C CD2 . LEU A 1 93  ? -34.514 -17.084 -24.706 1.00 21.04 ? 99  LEU B CD2 1 
ATOM   813  N N   . SER A 1 94  ? -33.746 -22.021 -23.399 1.00 18.72 ? 100 SER B N   1 
ATOM   814  C CA  . SER A 1 94  ? -33.140 -23.255 -22.859 1.00 18.58 ? 100 SER B CA  1 
ATOM   815  C C   . SER A 1 94  ? -31.957 -23.617 -23.735 1.00 16.01 ? 100 SER B C   1 
ATOM   816  O O   . SER A 1 94  ? -31.947 -23.261 -24.923 1.00 16.29 ? 100 SER B O   1 
ATOM   817  C CB  . SER A 1 94  ? -34.122 -24.421 -22.838 1.00 18.52 ? 100 SER B CB  1 
ATOM   818  O OG  . SER A 1 94  ? -34.461 -24.788 -24.174 1.00 21.66 ? 100 SER B OG  1 
ATOM   819  N N   . PRO A 1 95  ? -30.987 -24.364 -23.208 1.00 15.55 ? 101 PRO B N   1 
ATOM   820  C CA  . PRO A 1 95  ? -29.891 -24.858 -24.038 1.00 16.30 ? 101 PRO B CA  1 
ATOM   821  C C   . PRO A 1 95  ? -30.399 -25.744 -25.186 1.00 16.46 ? 101 PRO B C   1 
ATOM   822  O O   . PRO A 1 95  ? -29.850 -25.671 -26.320 1.00 16.19 ? 101 PRO B O   1 
ATOM   823  C CB  . PRO A 1 95  ? -28.997 -25.607 -23.048 1.00 17.61 ? 101 PRO B CB  1 
ATOM   824  C CG  . PRO A 1 95  ? -29.271 -24.897 -21.733 1.00 17.06 ? 101 PRO B CG  1 
ATOM   825  C CD  . PRO A 1 95  ? -30.765 -24.618 -21.775 1.00 16.35 ? 101 PRO B CD  1 
ATOM   826  N N   . GLU A 1 96  ? -31.477 -26.500 -24.955 1.00 18.05 ? 102 GLU B N   1 
ATOM   827  C CA  . GLU A 1 96  ? -32.067 -27.339 -26.047 1.00 22.96 ? 102 GLU B CA  1 
ATOM   828  C C   . GLU A 1 96  ? -32.472 -26.451 -27.234 1.00 21.57 ? 102 GLU B C   1 
ATOM   829  O O   . GLU A 1 96  ? -32.347 -26.919 -28.422 1.00 20.78 ? 102 GLU B O   1 
ATOM   830  C CB  . GLU A 1 96  ? -33.268 -28.143 -25.535 1.00 27.67 ? 102 GLU B CB  1 
ATOM   831  C CG  . GLU A 1 96  ? -32.920 -28.965 -24.312 1.00 38.26 ? 102 GLU B CG  1 
ATOM   832  C CD  . GLU A 1 96  ? -33.338 -28.354 -22.977 1.00 45.01 ? 102 GLU B CD  1 
ATOM   833  O OE1 . GLU A 1 96  ? -32.483 -27.649 -22.312 1.00 31.54 ? 102 GLU B OE1 1 
ATOM   834  O OE2 . GLU A 1 96  ? -34.522 -28.620 -22.586 1.00 52.09 ? 102 GLU B OE2 1 
ATOM   835  N N   . ASN A 1 97  ? -32.952 -25.217 -26.986 1.00 19.53 ? 103 ASN B N   1 
ATOM   836  C CA  . ASN A 1 97  ? -33.330 -24.267 -28.073 1.00 17.90 ? 103 ASN B CA  1 
ATOM   837  C C   . ASN A 1 97  ? -32.149 -23.377 -28.507 1.00 16.90 ? 103 ASN B C   1 
ATOM   838  O O   . ASN A 1 97  ? -32.365 -22.503 -29.360 1.00 18.32 ? 103 ASN B O   1 
ATOM   839  C CB  . ASN A 1 97  ? -34.553 -23.425 -27.684 1.00 18.88 ? 103 ASN B CB  1 
ATOM   840  C CG  . ASN A 1 97  ? -35.837 -24.216 -27.588 1.00 21.53 ? 103 ASN B CG  1 
ATOM   841  O OD1 . ASN A 1 97  ? -35.959 -25.294 -28.200 1.00 22.32 ? 103 ASN B OD1 1 
ATOM   842  N ND2 . ASN A 1 97  ? -36.784 -23.718 -26.794 1.00 22.90 ? 103 ASN B ND2 1 
ATOM   843  N N   . GLY A 1 98  ? -30.940 -23.556 -27.965 1.00 15.19 ? 104 GLY B N   1 
ATOM   844  C CA  . GLY A 1 98  ? -29.767 -22.787 -28.397 1.00 15.51 ? 104 GLY B CA  1 
ATOM   845  C C   . GLY A 1 98  ? -29.552 -21.509 -27.584 1.00 15.79 ? 104 GLY B C   1 
ATOM   846  O O   . GLY A 1 98  ? -28.883 -20.618 -28.101 1.00 15.62 ? 104 GLY B O   1 
ATOM   847  N N   . PHE A 1 99  ? -30.016 -21.442 -26.316 1.00 15.93 ? 105 PHE B N   1 
ATOM   848  C CA  . PHE A 1 99  ? -29.804 -20.238 -25.459 1.00 14.00 ? 105 PHE B CA  1 
ATOM   849  C C   . PHE A 1 99  ? -29.120 -20.612 -24.140 1.00 14.20 ? 105 PHE B C   1 
ATOM   850  O O   . PHE A 1 99  ? -29.549 -21.606 -23.517 1.00 15.32 ? 105 PHE B O   1 
ATOM   851  C CB  . PHE A 1 99  ? -31.141 -19.557 -25.104 1.00 14.26 ? 105 PHE B CB  1 
ATOM   852  C CG  . PHE A 1 99  ? -31.950 -19.069 -26.288 1.00 14.20 ? 105 PHE B CG  1 
ATOM   853  C CD1 . PHE A 1 99  ? -32.841 -19.919 -26.907 1.00 15.31 ? 105 PHE B CD1 1 
ATOM   854  C CD2 . PHE A 1 99  ? -31.820 -17.764 -26.752 1.00 14.76 ? 105 PHE B CD2 1 
ATOM   855  C CE1 . PHE A 1 99  ? -33.543 -19.494 -28.018 1.00 15.03 ? 105 PHE B CE1 1 
ATOM   856  C CE2 . PHE A 1 99  ? -32.585 -17.298 -27.809 1.00 15.29 ? 105 PHE B CE2 1 
ATOM   857  C CZ  . PHE A 1 99  ? -33.461 -18.171 -28.421 1.00 14.31 ? 105 PHE B CZ  1 
ATOM   858  N N   . TRP A 1 100 ? -28.167 -19.782 -23.703 1.00 13.28 ? 106 TRP B N   1 
ATOM   859  C CA  . TRP A 1 100 ? -27.475 -19.870 -22.382 1.00 12.12 ? 106 TRP B CA  1 
ATOM   860  C C   . TRP A 1 100 ? -27.633 -18.524 -21.696 1.00 12.30 ? 106 TRP B C   1 
ATOM   861  O O   . TRP A 1 100 ? -26.937 -17.555 -22.049 1.00 12.98 ? 106 TRP B O   1 
ATOM   862  C CB  . TRP A 1 100 ? -26.018 -20.319 -22.585 1.00 12.34 ? 106 TRP B CB  1 
ATOM   863  C CG  . TRP A 1 100 ? -25.954 -21.695 -23.199 1.00 13.58 ? 106 TRP B CG  1 
ATOM   864  C CD1 . TRP A 1 100 ? -25.873 -22.891 -22.530 1.00 14.34 ? 106 TRP B CD1 1 
ATOM   865  C CD2 . TRP A 1 100 ? -25.982 -22.023 -24.603 1.00 13.31 ? 106 TRP B CD2 1 
ATOM   866  N NE1 . TRP A 1 100 ? -25.894 -23.933 -23.428 1.00 15.46 ? 106 TRP B NE1 1 
ATOM   867  C CE2 . TRP A 1 100 ? -25.960 -23.434 -24.699 1.00 15.23 ? 106 TRP B CE2 1 
ATOM   868  C CE3 . TRP A 1 100 ? -26.020 -21.268 -25.767 1.00 13.52 ? 106 TRP B CE3 1 
ATOM   869  C CZ2 . TRP A 1 100 ? -26.000 -24.104 -25.925 1.00 15.87 ? 106 TRP B CZ2 1 
ATOM   870  C CZ3 . TRP A 1 100 ? -26.070 -21.935 -26.978 1.00 14.71 ? 106 TRP B CZ3 1 
ATOM   871  C CH2 . TRP A 1 100 ? -26.095 -23.323 -27.047 1.00 15.63 ? 106 TRP B CH2 1 
ATOM   872  N N   . THR A 1 101 ? -28.653 -18.432 -20.829 1.00 13.29 ? 107 THR B N   1 
ATOM   873  C CA  . THR A 1 101 ? -29.166 -17.108 -20.384 1.00 12.47 ? 107 THR B CA  1 
ATOM   874  C C   . THR A 1 101 ? -29.487 -17.163 -18.880 1.00 12.66 ? 107 THR B C   1 
ATOM   875  O O   . THR A 1 101 ? -29.729 -18.234 -18.353 1.00 12.38 ? 107 THR B O   1 
ATOM   876  C CB  . THR A 1 101 ? -30.414 -16.640 -21.148 1.00 13.13 ? 107 THR B CB  1 
ATOM   877  O OG1 . THR A 1 101 ? -31.444 -17.579 -20.896 1.00 14.04 ? 107 THR B OG1 1 
ATOM   878  C CG2 . THR A 1 101 ? -30.142 -16.507 -22.635 1.00 13.24 ? 107 THR B CG2 1 
ATOM   879  N N   . ILE A 1 102 ? -29.496 -15.994 -18.283 1.00 12.45 ? 108 ILE B N   1 
ATOM   880  C CA  . ILE A 1 102 ? -30.151 -15.753 -16.967 1.00 12.87 ? 108 ILE B CA  1 
ATOM   881  C C   . ILE A 1 102 ? -31.184 -14.637 -17.149 1.00 14.95 ? 108 ILE B C   1 
ATOM   882  O O   . ILE A 1 102 ? -31.158 -13.884 -18.148 1.00 14.31 ? 108 ILE B O   1 
ATOM   883  C CB  . ILE A 1 102 ? -29.142 -15.427 -15.854 1.00 13.99 ? 108 ILE B CB  1 
ATOM   884  C CG1 . ILE A 1 102 ? -28.473 -14.063 -16.003 1.00 14.37 ? 108 ILE B CG1 1 
ATOM   885  C CG2 . ILE A 1 102 ? -28.108 -16.527 -15.706 1.00 14.02 ? 108 ILE B CG2 1 
ATOM   886  C CD1 . ILE A 1 102 ? -27.651 -13.619 -14.798 1.00 14.68 ? 108 ILE B CD1 1 
ATOM   887  N N   . TRP A 1 103 ? -32.005 -14.461 -16.134 1.00 14.38 ? 109 TRP B N   1 
ATOM   888  C CA  . TRP A 1 103 ? -33.019 -13.408 -16.208 1.00 14.20 ? 109 TRP B CA  1 
ATOM   889  C C   . TRP A 1 103 ? -33.484 -12.963 -14.843 1.00 14.72 ? 109 TRP B C   1 
ATOM   890  O O   . TRP A 1 103 ? -33.312 -13.661 -13.833 1.00 15.04 ? 109 TRP B O   1 
ATOM   891  C CB  . TRP A 1 103 ? -34.190 -13.825 -17.052 1.00 18.10 ? 109 TRP B CB  1 
ATOM   892  C CG  . TRP A 1 103 ? -35.009 -14.954 -16.535 1.00 21.03 ? 109 TRP B CG  1 
ATOM   893  C CD1 . TRP A 1 103 ? -35.911 -14.931 -15.506 1.00 21.35 ? 109 TRP B CD1 1 
ATOM   894  C CD2 . TRP A 1 103 ? -35.129 -16.232 -17.157 1.00 23.00 ? 109 TRP B CD2 1 
ATOM   895  N NE1 . TRP A 1 103 ? -36.587 -16.107 -15.444 1.00 24.26 ? 109 TRP B NE1 1 
ATOM   896  C CE2 . TRP A 1 103 ? -36.141 -16.925 -16.451 1.00 21.58 ? 109 TRP B CE2 1 
ATOM   897  C CE3 . TRP A 1 103 ? -34.514 -16.831 -18.259 1.00 22.98 ? 109 TRP B CE3 1 
ATOM   898  C CZ2 . TRP A 1 103 ? -36.500 -18.229 -16.770 1.00 23.88 ? 109 TRP B CZ2 1 
ATOM   899  C CZ3 . TRP A 1 103 ? -34.918 -18.095 -18.600 1.00 24.20 ? 109 TRP B CZ3 1 
ATOM   900  C CH2 . TRP A 1 103 ? -35.896 -18.776 -17.881 1.00 22.49 ? 109 TRP B CH2 1 
ATOM   901  N N   . LEU A 1 104 ? -34.093 -11.768 -14.877 1.00 15.91 ? 110 LEU B N   1 
ATOM   902  C CA  . LEU A 1 104 ? -34.853 -11.222 -13.756 1.00 12.94 ? 110 LEU B CA  1 
ATOM   903  C C   . LEU A 1 104 ? -36.327 -11.165 -14.146 1.00 14.02 ? 110 LEU B C   1 
ATOM   904  O O   . LEU A 1 104 ? -36.645 -10.695 -15.256 1.00 13.11 ? 110 LEU B O   1 
ATOM   905  C CB  . LEU A 1 104 ? -34.350 -9.804  -13.441 1.00 13.65 ? 110 LEU B CB  1 
ATOM   906  C CG  . LEU A 1 104 ? -35.203 -9.025  -12.434 1.00 13.93 ? 110 LEU B CG  1 
ATOM   907  C CD1 . LEU A 1 104 ? -35.247 -9.666  -11.052 1.00 14.92 ? 110 LEU B CD1 1 
ATOM   908  C CD2 . LEU A 1 104 ? -34.735 -7.588  -12.351 1.00 15.27 ? 110 LEU B CD2 1 
ATOM   909  N N   . TRP A 1 105 ? -37.201 -11.621 -13.245 1.00 15.57 ? 111 TRP B N   1 
ATOM   910  C CA  . TRP A 1 105 ? -38.658 -11.632 -13.464 1.00 16.50 ? 111 TRP B CA  1 
ATOM   911  C C   . TRP A 1 105 ? -39.377 -11.651 -12.116 1.00 19.55 ? 111 TRP B C   1 
ATOM   912  O O   . TRP A 1 105 ? -39.106 -12.586 -11.321 1.00 18.91 ? 111 TRP B O   1 
ATOM   913  C CB  . TRP A 1 105 ? -39.034 -12.875 -14.290 1.00 20.81 ? 111 TRP B CB  1 
ATOM   914  C CG  . TRP A 1 105 ? -40.494 -13.020 -14.484 1.00 22.52 ? 111 TRP B CG  1 
ATOM   915  C CD1 . TRP A 1 105 ? -41.333 -13.966 -13.952 1.00 23.16 ? 111 TRP B CD1 1 
ATOM   916  C CD2 . TRP A 1 105 ? -41.288 -12.162 -15.294 1.00 23.06 ? 111 TRP B CD2 1 
ATOM   917  N NE1 . TRP A 1 105 ? -42.603 -13.742 -14.393 1.00 24.49 ? 111 TRP B NE1 1 
ATOM   918  C CE2 . TRP A 1 105 ? -42.602 -12.661 -15.224 1.00 23.02 ? 111 TRP B CE2 1 
ATOM   919  C CE3 . TRP A 1 105 ? -41.007 -11.045 -16.078 1.00 23.08 ? 111 TRP B CE3 1 
ATOM   920  C CZ2 . TRP A 1 105 ? -43.642 -12.047 -15.899 1.00 28.10 ? 111 TRP B CZ2 1 
ATOM   921  C CZ3 . TRP A 1 105 ? -42.044 -10.440 -16.745 1.00 28.01 ? 111 TRP B CZ3 1 
ATOM   922  C CH2 . TRP A 1 105 ? -43.343 -10.929 -16.638 1.00 26.49 ? 111 TRP B CH2 1 
ATOM   923  N N   . GLN A 1 106 ? -40.253 -10.661 -11.869 1.00 17.97 ? 112 GLN B N   1 
ATOM   924  C CA  . GLN A 1 106 ? -41.073 -10.654 -10.633 1.00 19.25 ? 112 GLN B CA  1 
ATOM   925  C C   . GLN A 1 106 ? -40.203 -10.881 -9.412  1.00 19.44 ? 112 GLN B C   1 
ATOM   926  O O   . GLN A 1 106 ? -40.555 -11.778 -8.548  1.00 22.45 ? 112 GLN B O   1 
ATOM   927  C CB  . GLN A 1 106 ? -42.186 -11.694 -10.791 1.00 22.24 ? 112 GLN B CB  1 
ATOM   928  C CG  . GLN A 1 106 ? -43.173 -11.304 -11.889 1.00 21.77 ? 112 GLN B CG  1 
ATOM   929  C CD  . GLN A 1 106 ? -44.423 -12.143 -11.956 1.00 23.19 ? 112 GLN B CD  1 
ATOM   930  O OE1 . GLN A 1 106 ? -45.369 -11.822 -12.700 1.00 25.94 ? 112 GLN B OE1 1 
ATOM   931  N NE2 . GLN A 1 106 ? -44.432 -13.230 -11.202 1.00 21.19 ? 112 GLN B NE2 1 
ATOM   932  N N   . ASP A 1 107 ? -39.187 -10.046 -9.248  1.00 20.03 ? 113 ASP B N   1 
ATOM   933  C CA  . ASP A 1 107 ? -38.346 -9.994  -8.038  1.00 26.38 ? 113 ASP B CA  1 
ATOM   934  C C   . ASP A 1 107 ? -37.566 -11.297 -7.799  1.00 24.70 ? 113 ASP B C   1 
ATOM   935  O O   . ASP A 1 107 ? -37.021 -11.453 -6.701  1.00 29.05 ? 113 ASP B O   1 
ATOM   936  C CB  . ASP A 1 107 ? -39.257 -9.776  -6.829  1.00 30.41 ? 113 ASP B CB  1 
ATOM   937  C CG  . ASP A 1 107 ? -38.653 -8.904  -5.767  1.00 38.65 ? 113 ASP B CG  1 
ATOM   938  O OD1 . ASP A 1 107 ? -37.675 -8.196  -6.068  1.00 42.91 ? 113 ASP B OD1 1 
ATOM   939  O OD2 . ASP A 1 107 ? -39.201 -8.930  -4.640  1.00 57.72 ? 113 ASP B OD2 1 
ATOM   940  N N   . SER A 1 108 ? -37.421 -12.174 -8.780  1.00 21.09 ? 114 SER B N   1 
ATOM   941  C CA  . SER A 1 108 ? -36.504 -13.340 -8.629  1.00 22.33 ? 114 SER B CA  1 
ATOM   942  C C   . SER A 1 108 ? -35.588 -13.478 -9.853  1.00 19.15 ? 114 SER B C   1 
ATOM   943  O O   . SER A 1 108 ? -35.971 -13.092 -11.006 1.00 18.66 ? 114 SER B O   1 
ATOM   944  C CB  . SER A 1 108 ? -37.283 -14.585 -8.283  1.00 26.29 ? 114 SER B CB  1 
ATOM   945  O OG  . SER A 1 108 ? -37.898 -15.136 -9.416  1.00 35.35 ? 114 SER B OG  1 
ATOM   946  N N   . TYR A 1 109 ? -34.387 -13.950 -9.594  1.00 16.78 ? 115 TYR B N   1 
ATOM   947  C CA  . TYR A 1 109 ? -33.372 -14.211 -10.660 1.00 16.30 ? 115 TYR B CA  1 
ATOM   948  C C   . TYR A 1 109 ? -33.329 -15.711 -10.927 1.00 16.07 ? 115 TYR B C   1 
ATOM   949  O O   . TYR A 1 109 ? -33.344 -16.507 -9.984  1.00 15.90 ? 115 TYR B O   1 
ATOM   950  C CB  . TYR A 1 109 ? -32.012 -13.679 -10.252 1.00 14.86 ? 115 TYR B CB  1 
ATOM   951  C CG  . TYR A 1 109 ? -31.967 -12.185 -10.027 1.00 16.61 ? 115 TYR B CG  1 
ATOM   952  C CD1 . TYR A 1 109 ? -32.218 -11.652 -8.778  1.00 16.67 ? 115 TYR B CD1 1 
ATOM   953  C CD2 . TYR A 1 109 ? -31.590 -11.308 -11.028 1.00 15.63 ? 115 TYR B CD2 1 
ATOM   954  C CE1 . TYR A 1 109 ? -32.130 -10.292 -8.529  1.00 17.08 ? 115 TYR B CE1 1 
ATOM   955  C CE2 . TYR A 1 109 ? -31.521 -9.942  -10.797 1.00 16.34 ? 115 TYR B CE2 1 
ATOM   956  C CZ  . TYR A 1 109 ? -31.790 -9.426  -9.540  1.00 18.17 ? 115 TYR B CZ  1 
ATOM   957  O OH  . TYR A 1 109 ? -31.779 -8.075  -9.290  1.00 18.53 ? 115 TYR B OH  1 
ATOM   958  N N   A GLU A 1 110 ? -33.288 -16.107 -12.204 0.25 16.54 ? 116 GLU B N   1 
ATOM   959  N N   B GLU A 1 110 ? -33.312 -16.094 -12.211 0.25 15.90 ? 116 GLU B N   1 
ATOM   960  C CA  A GLU A 1 110 ? -33.292 -17.547 -12.585 0.25 17.51 ? 116 GLU B CA  1 
ATOM   961  C CA  B GLU A 1 110 ? -33.352 -17.517 -12.653 0.25 16.39 ? 116 GLU B CA  1 
ATOM   962  C C   A GLU A 1 110 ? -32.364 -17.798 -13.776 0.25 16.45 ? 116 GLU B C   1 
ATOM   963  C C   B GLU A 1 110 ? -32.278 -17.753 -13.726 0.25 15.75 ? 116 GLU B C   1 
ATOM   964  O O   A GLU A 1 110 ? -32.243 -16.924 -14.653 0.25 16.69 ? 116 GLU B O   1 
ATOM   965  O O   B GLU A 1 110 ? -31.936 -16.803 -14.454 0.25 15.40 ? 116 GLU B O   1 
ATOM   966  C CB  A GLU A 1 110 ? -34.702 -18.042 -12.898 0.25 19.10 ? 116 GLU B CB  1 
ATOM   967  C CB  B GLU A 1 110 ? -34.731 -17.897 -13.200 0.25 17.12 ? 116 GLU B CB  1 
ATOM   968  C CG  A GLU A 1 110 ? -35.600 -18.054 -11.671 0.25 21.24 ? 116 GLU B CG  1 
ATOM   969  C CG  B GLU A 1 110 ? -35.867 -17.750 -12.193 0.25 18.60 ? 116 GLU B CG  1 
ATOM   970  C CD  A GLU A 1 110 ? -37.026 -18.494 -11.935 0.25 23.45 ? 116 GLU B CD  1 
ATOM   971  C CD  B GLU A 1 110 ? -35.934 -18.850 -11.144 0.25 19.03 ? 116 GLU B CD  1 
ATOM   972  O OE1 A GLU A 1 110 ? -37.480 -18.361 -13.094 0.25 26.34 ? 116 GLU B OE1 1 
ATOM   973  O OE1 B GLU A 1 110 ? -35.757 -20.033 -11.491 0.25 21.37 ? 116 GLU B OE1 1 
ATOM   974  O OE2 A GLU A 1 110 ? -37.670 -18.982 -10.988 0.25 24.60 ? 116 GLU B OE2 1 
ATOM   975  O OE2 B GLU A 1 110 ? -36.173 -18.517 -9.983  0.25 22.90 ? 116 GLU B OE2 1 
ATOM   976  N N   . ALA A 1 111 ? -31.728 -18.971 -13.782 1.00 16.13 ? 117 ALA B N   1 
ATOM   977  C CA  . ALA A 1 111 ? -30.955 -19.447 -14.940 1.00 15.72 ? 117 ALA B CA  1 
ATOM   978  C C   . ALA A 1 111 ? -31.890 -20.188 -15.902 1.00 15.83 ? 117 ALA B C   1 
ATOM   979  O O   . ALA A 1 111 ? -32.739 -21.017 -15.486 1.00 16.56 ? 117 ALA B O   1 
ATOM   980  C CB  . ALA A 1 111 ? -29.790 -20.314 -14.513 1.00 16.13 ? 117 ALA B CB  1 
ATOM   981  N N   . GLY A 1 112 ? -31.734 -19.896 -17.194 1.00 16.16 ? 118 GLY B N   1 
ATOM   982  C CA  . GLY A 1 112 ? -32.495 -20.480 -18.318 1.00 16.33 ? 118 GLY B CA  1 
ATOM   983  C C   . GLY A 1 112 ? -32.132 -21.935 -18.599 1.00 18.37 ? 118 GLY B C   1 
ATOM   984  O O   . GLY A 1 112 ? -31.870 -22.287 -19.738 1.00 17.51 ? 118 GLY B O   1 
ATOM   985  N N   . THR A 1 113 ? -32.172 -22.786 -17.607 1.00 17.80 ? 119 THR B N   1 
ATOM   986  C CA  . THR A 1 113 ? -32.127 -24.256 -17.777 1.00 19.80 ? 119 THR B CA  1 
ATOM   987  C C   . THR A 1 113 ? -33.559 -24.735 -18.034 1.00 19.63 ? 119 THR B C   1 
ATOM   988  O O   . THR A 1 113 ? -34.499 -23.936 -17.866 1.00 22.59 ? 119 THR B O   1 
ATOM   989  C CB  . THR A 1 113 ? -31.464 -24.875 -16.547 1.00 17.61 ? 119 THR B CB  1 
ATOM   990  O OG1 . THR A 1 113 ? -32.178 -24.425 -15.387 1.00 18.54 ? 119 THR B OG1 1 
ATOM   991  C CG2 . THR A 1 113 ? -30.009 -24.544 -16.330 1.00 19.08 ? 119 THR B CG2 1 
ATOM   992  N N   . SER A 1 114 ? -33.739 -26.024 -18.328 1.00 23.06 ? 120 SER B N   1 
ATOM   993  C CA  . SER A 1 114 ? -35.082 -26.607 -18.534 1.00 26.15 ? 120 SER B CA  1 
ATOM   994  C C   . SER A 1 114 ? -35.273 -27.782 -17.580 1.00 27.41 ? 120 SER B C   1 
ATOM   995  O O   . SER A 1 114 ? -34.638 -28.828 -17.743 1.00 29.28 ? 120 SER B O   1 
ATOM   996  C CB  . SER A 1 114 ? -35.303 -27.055 -19.963 1.00 31.35 ? 120 SER B CB  1 
ATOM   997  O OG  . SER A 1 114 ? -36.691 -27.337 -20.134 1.00 37.54 ? 120 SER B OG  1 
ATOM   998  N N   . PRO A 1 115 ? -36.049 -27.630 -16.491 1.00 26.06 ? 121 PRO B N   1 
ATOM   999  C CA  . PRO A 1 115 ? -36.690 -26.377 -16.110 1.00 25.67 ? 121 PRO B CA  1 
ATOM   1000 C C   . PRO A 1 115 ? -35.726 -25.376 -15.455 1.00 21.58 ? 121 PRO B C   1 
ATOM   1001 O O   . PRO A 1 115 ? -34.566 -25.719 -15.150 1.00 19.92 ? 121 PRO B O   1 
ATOM   1002 C CB  . PRO A 1 115 ? -37.736 -26.861 -15.104 1.00 29.58 ? 121 PRO B CB  1 
ATOM   1003 C CG  . PRO A 1 115 ? -36.996 -27.961 -14.375 1.00 27.71 ? 121 PRO B CG  1 
ATOM   1004 C CD  . PRO A 1 115 ? -36.256 -28.691 -15.482 1.00 26.60 ? 121 PRO B CD  1 
ATOM   1005 N N   . GLN A 1 116 ? -36.177 -24.149 -15.309 1.00 22.18 ? 122 GLN B N   1 
ATOM   1006 C CA  . GLN A 1 116 ? -35.322 -23.030 -14.845 1.00 21.22 ? 122 GLN B CA  1 
ATOM   1007 C C   . GLN A 1 116 ? -34.789 -23.301 -13.432 1.00 20.16 ? 122 GLN B C   1 
ATOM   1008 O O   . GLN A 1 116 ? -35.429 -24.018 -12.668 1.00 19.51 ? 122 GLN B O   1 
ATOM   1009 C CB  . GLN A 1 116 ? -36.018 -21.667 -14.843 1.00 26.02 ? 122 GLN B CB  1 
ATOM   1010 C CG  . GLN A 1 116 ? -37.217 -21.602 -13.928 1.00 32.98 ? 122 GLN B CG  1 
ATOM   1011 C CD  . GLN A 1 116 ? -38.438 -21.682 -14.801 1.00 41.61 ? 122 GLN B CD  1 
ATOM   1012 O OE1 . GLN A 1 116 ? -38.895 -22.765 -15.195 1.00 47.86 ? 122 GLN B OE1 1 
ATOM   1013 N NE2 . GLN A 1 116 ? -38.864 -20.514 -15.229 1.00 41.44 ? 122 GLN B NE2 1 
ATOM   1014 N N   . THR A 1 117 ? -33.645 -22.694 -13.125 1.00 17.29 ? 123 THR B N   1 
ATOM   1015 C CA  . THR A 1 117 ? -32.953 -22.864 -11.845 1.00 16.01 ? 123 THR B CA  1 
ATOM   1016 C C   . THR A 1 117 ? -32.987 -21.551 -11.064 1.00 15.49 ? 123 THR B C   1 
ATOM   1017 O O   . THR A 1 117 ? -32.468 -20.508 -11.570 1.00 15.88 ? 123 THR B O   1 
ATOM   1018 C CB  . THR A 1 117 ? -31.522 -23.358 -12.113 1.00 15.78 ? 123 THR B CB  1 
ATOM   1019 O OG1 . THR A 1 117 ? -31.591 -24.591 -12.831 1.00 17.84 ? 123 THR B OG1 1 
ATOM   1020 C CG2 . THR A 1 117 ? -30.749 -23.532 -10.833 1.00 17.93 ? 123 THR B CG2 1 
ATOM   1021 N N   . THR A 1 118 ? -33.406 -21.609 -9.800  1.00 16.94 ? 124 THR B N   1 
ATOM   1022 C CA  . THR A 1 118 ? -33.328 -20.481 -8.844  1.00 18.35 ? 124 THR B CA  1 
ATOM   1023 C C   . THR A 1 118 ? -31.896 -20.009 -8.624  1.00 16.45 ? 124 THR B C   1 
ATOM   1024 O O   . THR A 1 118 ? -31.005 -20.857 -8.326  1.00 19.14 ? 124 THR B O   1 
ATOM   1025 C CB  . THR A 1 118 ? -33.936 -20.924 -7.500  1.00 20.09 ? 124 THR B CB  1 
ATOM   1026 O OG1 . THR A 1 118 ? -35.311 -21.220 -7.731  1.00 23.62 ? 124 THR B OG1 1 
ATOM   1027 C CG2 . THR A 1 118 ? -33.782 -19.882 -6.421  1.00 23.21 ? 124 THR B CG2 1 
ATOM   1028 N N   . LEU A 1 119 ? -31.639 -18.697 -8.709  1.00 14.62 ? 125 LEU B N   1 
ATOM   1029 C CA  . LEU A 1 119 ? -30.321 -18.100 -8.413  1.00 15.79 ? 125 LEU B CA  1 
ATOM   1030 C C   . LEU A 1 119 ? -30.419 -17.488 -7.014  1.00 18.28 ? 125 LEU B C   1 
ATOM   1031 O O   . LEU A 1 119 ? -31.527 -17.096 -6.580  1.00 21.19 ? 125 LEU B O   1 
ATOM   1032 C CB  . LEU A 1 119 ? -29.924 -17.037 -9.447  1.00 15.71 ? 125 LEU B CB  1 
ATOM   1033 C CG  . LEU A 1 119 ? -29.835 -17.572 -10.890 1.00 14.48 ? 125 LEU B CG  1 
ATOM   1034 C CD1 . LEU A 1 119 ? -29.638 -16.432 -11.888 1.00 14.54 ? 125 LEU B CD1 1 
ATOM   1035 C CD2 . LEU A 1 119 ? -28.721 -18.602 -11.045 1.00 15.88 ? 125 LEU B CD2 1 
ATOM   1036 N N   . HIS A 1 120 ? -29.299 -17.436 -6.337  1.00 17.37 ? 126 HIS B N   1 
ATOM   1037 C CA  . HIS A 1 120 ? -29.202 -16.977 -4.930  1.00 16.71 ? 126 HIS B CA  1 
ATOM   1038 C C   . HIS A 1 120 ? -28.404 -15.681 -4.950  1.00 18.45 ? 126 HIS B C   1 
ATOM   1039 O O   . HIS A 1 120 ? -27.175 -15.730 -4.899  1.00 23.56 ? 126 HIS B O   1 
ATOM   1040 C CB  . HIS A 1 120 ? -28.516 -18.054 -4.100  1.00 17.97 ? 126 HIS B CB  1 
ATOM   1041 C CG  . HIS A 1 120 ? -29.269 -19.348 -4.069  1.00 18.80 ? 126 HIS B CG  1 
ATOM   1042 N ND1 . HIS A 1 120 ? -28.936 -20.422 -4.872  1.00 21.87 ? 126 HIS B ND1 1 
ATOM   1043 C CD2 . HIS A 1 120 ? -30.364 -19.718 -3.381  1.00 20.45 ? 126 HIS B CD2 1 
ATOM   1044 C CE1 . HIS A 1 120 ? -29.792 -21.402 -4.655  1.00 22.09 ? 126 HIS B CE1 1 
ATOM   1045 N NE2 . HIS A 1 120 ? -30.659 -21.015 -3.712  1.00 19.98 ? 126 HIS B NE2 1 
ATOM   1046 N N   . ILE A 1 121 ? -29.060 -14.550 -5.050  1.00 20.62 ? 127 ILE B N   1 
ATOM   1047 C CA  . ILE A 1 121 ? -28.395 -13.227 -5.192  1.00 23.03 ? 127 ILE B CA  1 
ATOM   1048 C C   . ILE A 1 121 ? -28.755 -12.360 -3.962  1.00 23.73 ? 127 ILE B C   1 
ATOM   1049 O O   . ILE A 1 121 ? -29.915 -12.060 -3.778  1.00 29.12 ? 127 ILE B O   1 
ATOM   1050 C CB  . ILE A 1 121 ? -28.830 -12.593 -6.524  1.00 25.85 ? 127 ILE B CB  1 
ATOM   1051 C CG1 . ILE A 1 121 ? -28.294 -13.423 -7.705  1.00 25.67 ? 127 ILE B CG1 1 
ATOM   1052 C CG2 . ILE A 1 121 ? -28.378 -11.139 -6.560  1.00 29.65 ? 127 ILE B CG2 1 
ATOM   1053 C CD1 . ILE A 1 121 ? -28.462 -12.792 -9.080  1.00 28.14 ? 127 ILE B CD1 1 
ATOM   1054 N N   . GLN A 1 122 ? -27.775 -11.992 -3.154  1.00 28.68 ? 128 GLN B N   1 
ATOM   1055 C CA  . GLN A 1 122 ? -27.982 -11.190 -1.915  1.00 29.95 ? 128 GLN B CA  1 
ATOM   1056 C C   . GLN A 1 122 ? -27.950 -9.695  -2.281  1.00 26.98 ? 128 GLN B C   1 
ATOM   1057 O O   . GLN A 1 122 ? -28.719 -8.928  -1.673  1.00 25.51 ? 128 GLN B O   1 
ATOM   1058 C CB  . GLN A 1 122 ? -26.928 -11.642 -0.890  1.00 35.98 ? 128 GLN B CB  1 
ATOM   1059 C CG  . GLN A 1 122 ? -27.019 -10.951 0.468   1.00 47.84 ? 128 GLN B CG  1 
ATOM   1060 C CD  . GLN A 1 122 ? -28.319 -11.191 1.205   1.00 53.05 ? 128 GLN B CD  1 
ATOM   1061 O OE1 . GLN A 1 122 ? -29.116 -12.064 0.860   1.00 57.87 ? 128 GLN B OE1 1 
ATOM   1062 N NE2 . GLN A 1 122 ? -28.566 -10.381 2.223   1.00 57.65 ? 128 GLN B NE2 1 
ATOM   1063 N N   . VAL A 1 123 ? -27.171 -9.309  -3.289  1.00 23.69 ? 129 VAL B N   1 
ATOM   1064 C CA  . VAL A 1 123 ? -26.999 -7.883  -3.715  1.00 22.44 ? 129 VAL B CA  1 
ATOM   1065 C C   . VAL A 1 123 ? -27.540 -7.715  -5.138  1.00 21.88 ? 129 VAL B C   1 
ATOM   1066 O O   . VAL A 1 123 ? -26.931 -8.232  -6.078  1.00 21.47 ? 129 VAL B O   1 
ATOM   1067 C CB  . VAL A 1 123 ? -25.523 -7.468  -3.615  1.00 24.26 ? 129 VAL B CB  1 
ATOM   1068 C CG1 . VAL A 1 123 ? -25.279 -6.052  -4.109  1.00 25.08 ? 129 VAL B CG1 1 
ATOM   1069 C CG2 . VAL A 1 123 ? -24.969 -7.616  -2.204  1.00 26.69 ? 129 VAL B CG2 1 
ATOM   1070 N N   . PRO A 1 124 ? -28.762 -7.162  -5.320  1.00 21.82 ? 130 PRO B N   1 
ATOM   1071 C CA  . PRO A 1 124 ? -29.336 -7.007  -6.660  1.00 21.38 ? 130 PRO B CA  1 
ATOM   1072 C C   . PRO A 1 124 ? -28.310 -6.370  -7.581  1.00 20.26 ? 130 PRO B C   1 
ATOM   1073 O O   . PRO A 1 124 ? -27.826 -5.301  -7.291  1.00 19.97 ? 130 PRO B O   1 
ATOM   1074 C CB  . PRO A 1 124 ? -30.571 -6.116  -6.397  1.00 24.41 ? 130 PRO B CB  1 
ATOM   1075 C CG  . PRO A 1 124 ? -31.009 -6.559  -5.001  1.00 25.54 ? 130 PRO B CG  1 
ATOM   1076 C CD  . PRO A 1 124 ? -29.716 -6.767  -4.259  1.00 23.94 ? 130 PRO B CD  1 
ATOM   1077 N N   . PRO A 1 125 ? -27.911 -7.001  -8.703  1.00 19.50 ? 131 PRO B N   1 
ATOM   1078 C CA  . PRO A 1 125 ? -26.905 -6.409  -9.578  1.00 19.89 ? 131 PRO B CA  1 
ATOM   1079 C C   . PRO A 1 125 ? -27.393 -5.205  -10.386 1.00 19.13 ? 131 PRO B C   1 
ATOM   1080 O O   . PRO A 1 125 ? -28.516 -5.243  -10.858 1.00 19.48 ? 131 PRO B O   1 
ATOM   1081 C CB  . PRO A 1 125 ? -26.499 -7.544  -10.533 1.00 19.99 ? 131 PRO B CB  1 
ATOM   1082 C CG  . PRO A 1 125 ? -27.538 -8.604  -10.377 1.00 19.71 ? 131 PRO B CG  1 
ATOM   1083 C CD  . PRO A 1 125 ? -28.300 -8.372  -9.090  1.00 19.30 ? 131 PRO B CD  1 
ATOM   1084 N N   . CYS A 1 126 ? -26.568 -4.162  -10.479 1.00 19.13 ? 132 CYS B N   1 
ATOM   1085 C CA  . CYS A 1 126 ? -26.746 -3.054  -11.448 1.00 20.65 ? 132 CYS B CA  1 
ATOM   1086 C C   . CYS A 1 126 ? -25.969 -3.325  -12.749 1.00 18.72 ? 132 CYS B C   1 
ATOM   1087 O O   . CYS A 1 126 ? -26.320 -2.759  -13.790 1.00 17.05 ? 132 CYS B O   1 
ATOM   1088 C CB  . CYS A 1 126 ? -26.299 -1.739  -10.842 1.00 22.25 ? 132 CYS B CB  1 
ATOM   1089 S SG  . CYS A 1 126 ? -27.389 -1.306  -9.456  1.00 30.07 ? 132 CYS B SG  1 
ATOM   1090 N N   A GLN A 1 127 ? -24.910 -4.142  -12.694 0.25 18.89 ? 133 GLN B N   1 
ATOM   1091 N N   B GLN A 1 127 ? -24.939 -4.177  -12.684 0.25 19.39 ? 133 GLN B N   1 
ATOM   1092 C CA  A GLN A 1 127 ? -24.159 -4.560  -13.911 0.25 19.44 ? 133 GLN B CA  1 
ATOM   1093 C CA  B GLN A 1 127 ? -24.119 -4.564  -13.864 0.25 20.40 ? 133 GLN B CA  1 
ATOM   1094 C C   A GLN A 1 127 ? -23.846 -6.058  -13.818 0.25 19.16 ? 133 GLN B C   1 
ATOM   1095 C C   B GLN A 1 127 ? -23.841 -6.072  -13.807 0.25 19.67 ? 133 GLN B C   1 
ATOM   1096 O O   A GLN A 1 127 ? -23.571 -6.555  -12.699 0.25 17.30 ? 133 GLN B O   1 
ATOM   1097 O O   B GLN A 1 127 ? -23.588 -6.593  -12.695 0.25 17.68 ? 133 GLN B O   1 
ATOM   1098 C CB  A GLN A 1 127 ? -22.863 -3.769  -14.114 0.25 20.86 ? 133 GLN B CB  1 
ATOM   1099 C CB  B GLN A 1 127 ? -22.803 -3.786  -13.912 0.25 22.74 ? 133 GLN B CB  1 
ATOM   1100 C CG  A GLN A 1 127 ? -23.065 -2.282  -14.354 0.25 22.41 ? 133 GLN B CG  1 
ATOM   1101 C CG  B GLN A 1 127 ? -22.954 -2.348  -14.373 0.25 24.88 ? 133 GLN B CG  1 
ATOM   1102 C CD  A GLN A 1 127 ? -23.030 -1.506  -13.063 0.25 22.94 ? 133 GLN B CD  1 
ATOM   1103 C CD  B GLN A 1 127 ? -21.624 -1.656  -14.545 0.25 25.90 ? 133 GLN B CD  1 
ATOM   1104 O OE1 A GLN A 1 127 ? -22.317 -1.864  -12.128 0.25 23.24 ? 133 GLN B OE1 1 
ATOM   1105 O OE1 B GLN A 1 127 ? -20.617 -2.259  -14.931 0.25 28.50 ? 133 GLN B OE1 1 
ATOM   1106 N NE2 A GLN A 1 127 ? -23.808 -0.434  -13.008 0.25 23.92 ? 133 GLN B NE2 1 
ATOM   1107 N NE2 B GLN A 1 127 ? -21.623 -0.364  -14.279 0.25 27.59 ? 133 GLN B NE2 1 
ATOM   1108 N N   . ILE A 1 128 ? -23.899 -6.730  -14.968 1.00 18.24 ? 134 ILE B N   1 
ATOM   1109 C CA  . ILE A 1 128 ? -23.702 -8.204  -15.099 1.00 17.93 ? 134 ILE B CA  1 
ATOM   1110 C C   . ILE A 1 128 ? -22.484 -8.399  -16.006 1.00 17.34 ? 134 ILE B C   1 
ATOM   1111 O O   . ILE A 1 128 ? -22.416 -7.785  -17.108 1.00 16.38 ? 134 ILE B O   1 
ATOM   1112 C CB  . ILE A 1 128 ? -24.961 -8.864  -15.671 1.00 18.09 ? 134 ILE B CB  1 
ATOM   1113 C CG1 . ILE A 1 128 ? -26.221 -8.674  -14.814 1.00 19.45 ? 134 ILE B CG1 1 
ATOM   1114 C CG2 . ILE A 1 128 ? -24.707 -10.344 -15.953 1.00 17.81 ? 134 ILE B CG2 1 
ATOM   1115 C CD1 . ILE A 1 128 ? -26.210 -9.433  -13.552 1.00 18.36 ? 134 ILE B CD1 1 
ATOM   1116 N N   . GLY A 1 129 ? -21.547 -9.245  -15.593 1.00 16.98 ? 135 GLY B N   1 
ATOM   1117 C CA  . GLY A 1 129 ? -20.451 -9.728  -16.444 1.00 16.13 ? 135 GLY B CA  1 
ATOM   1118 C C   . GLY A 1 129 ? -20.813 -11.077 -17.035 1.00 15.66 ? 135 GLY B C   1 
ATOM   1119 O O   . GLY A 1 129 ? -21.330 -11.934 -16.319 1.00 15.26 ? 135 GLY B O   1 
ATOM   1120 N N   . ILE A 1 130 ? -20.548 -11.237 -18.340 1.00 15.30 ? 136 ILE B N   1 
ATOM   1121 C CA  . ILE A 1 130 ? -20.806 -12.491 -19.081 1.00 14.70 ? 136 ILE B CA  1 
ATOM   1122 C C   . ILE A 1 130 ? -19.470 -12.977 -19.642 1.00 15.13 ? 136 ILE B C   1 
ATOM   1123 O O   . ILE A 1 130 ? -18.794 -12.208 -20.336 1.00 15.81 ? 136 ILE B O   1 
ATOM   1124 C CB  . ILE A 1 130 ? -21.832 -12.252 -20.200 1.00 16.51 ? 136 ILE B CB  1 
ATOM   1125 C CG1 . ILE A 1 130 ? -23.115 -11.716 -19.584 1.00 18.52 ? 136 ILE B CG1 1 
ATOM   1126 C CG2 . ILE A 1 130 ? -22.036 -13.508 -21.057 1.00 17.31 ? 136 ILE B CG2 1 
ATOM   1127 C CD1 . ILE A 1 130 ? -24.197 -11.354 -20.563 1.00 20.86 ? 136 ILE B CD1 1 
ATOM   1128 N N   . PHE A 1 131 ? -19.087 -14.192 -19.290 1.00 15.33 ? 137 PHE B N   1 
ATOM   1129 C CA  . PHE A 1 131 ? -17.832 -14.849 -19.748 1.00 14.86 ? 137 PHE B CA  1 
ATOM   1130 C C   . PHE A 1 131 ? -18.196 -16.072 -20.581 1.00 14.39 ? 137 PHE B C   1 
ATOM   1131 O O   . PHE A 1 131 ? -18.974 -16.925 -20.117 1.00 14.59 ? 137 PHE B O   1 
ATOM   1132 C CB  . PHE A 1 131 ? -16.980 -15.281 -18.557 1.00 16.38 ? 137 PHE B CB  1 
ATOM   1133 C CG  . PHE A 1 131 ? -15.721 -16.024 -18.924 1.00 16.80 ? 137 PHE B CG  1 
ATOM   1134 C CD1 . PHE A 1 131 ? -14.703 -15.379 -19.614 1.00 19.15 ? 137 PHE B CD1 1 
ATOM   1135 C CD2 . PHE A 1 131 ? -15.592 -17.380 -18.649 1.00 19.07 ? 137 PHE B CD2 1 
ATOM   1136 C CE1 . PHE A 1 131 ? -13.532 -16.063 -19.919 1.00 21.74 ? 137 PHE B CE1 1 
ATOM   1137 C CE2 . PHE A 1 131 ? -14.438 -18.067 -19.006 1.00 20.20 ? 137 PHE B CE2 1 
ATOM   1138 C CZ  . PHE A 1 131 ? -13.426 -17.413 -19.647 1.00 19.74 ? 137 PHE B CZ  1 
ATOM   1139 N N   . VAL A 1 132 ? -17.624 -16.197 -21.786 1.00 14.70 ? 138 VAL B N   1 
ATOM   1140 C CA  . VAL A 1 132 ? -17.776 -17.414 -22.635 1.00 15.04 ? 138 VAL B CA  1 
ATOM   1141 C C   . VAL A 1 132 ? -16.390 -18.000 -22.936 1.00 14.80 ? 138 VAL B C   1 
ATOM   1142 O O   . VAL A 1 132 ? -15.513 -17.290 -23.418 1.00 16.20 ? 138 VAL B O   1 
ATOM   1143 C CB  . VAL A 1 132 ? -18.513 -17.099 -23.948 1.00 15.57 ? 138 VAL B CB  1 
ATOM   1144 C CG1 . VAL A 1 132 ? -18.700 -18.362 -24.797 1.00 16.58 ? 138 VAL B CG1 1 
ATOM   1145 C CG2 . VAL A 1 132 ? -19.860 -16.465 -23.636 1.00 16.95 ? 138 VAL B CG2 1 
ATOM   1146 N N   . ASP A 1 133 ? -16.245 -19.282 -22.652 1.00 15.05 ? 139 ASP B N   1 
ATOM   1147 C CA  . ASP A 1 133 ? -15.068 -20.086 -23.088 1.00 16.27 ? 139 ASP B CA  1 
ATOM   1148 C C   . ASP A 1 133 ? -15.573 -21.107 -24.105 1.00 14.40 ? 139 ASP B C   1 
ATOM   1149 O O   . ASP A 1 133 ? -16.225 -22.099 -23.734 1.00 15.41 ? 139 ASP B O   1 
ATOM   1150 C CB  . ASP A 1 133 ? -14.350 -20.683 -21.898 1.00 16.39 ? 139 ASP B CB  1 
ATOM   1151 C CG  . ASP A 1 133 ? -13.063 -21.405 -22.289 1.00 19.75 ? 139 ASP B CG  1 
ATOM   1152 O OD1 . ASP A 1 133 ? -12.934 -21.847 -23.475 1.00 19.08 ? 139 ASP B OD1 1 
ATOM   1153 O OD2 . ASP A 1 133 ? -12.246 -21.607 -21.362 1.00 22.52 ? 139 ASP B OD2 1 
ATOM   1154 N N   . TYR A 1 134 ? -15.388 -20.812 -25.396 1.00 14.94 ? 140 TYR B N   1 
ATOM   1155 C CA  . TYR A 1 134 ? -15.960 -21.645 -26.466 1.00 15.84 ? 140 TYR B CA  1 
ATOM   1156 C C   . TYR A 1 134 ? -15.457 -23.101 -26.360 1.00 16.18 ? 140 TYR B C   1 
ATOM   1157 O O   . TYR A 1 134 ? -16.230 -24.067 -26.307 1.00 18.39 ? 140 TYR B O   1 
ATOM   1158 C CB  . TYR A 1 134 ? -15.674 -21.038 -27.843 1.00 16.35 ? 140 TYR B CB  1 
ATOM   1159 C CG  . TYR A 1 134 ? -16.630 -21.597 -28.868 1.00 15.63 ? 140 TYR B CG  1 
ATOM   1160 C CD1 . TYR A 1 134 ? -16.462 -22.882 -29.325 1.00 16.02 ? 140 TYR B CD1 1 
ATOM   1161 C CD2 . TYR A 1 134 ? -17.775 -20.915 -29.281 1.00 16.23 ? 140 TYR B CD2 1 
ATOM   1162 C CE1 . TYR A 1 134 ? -17.352 -23.483 -30.193 1.00 16.98 ? 140 TYR B CE1 1 
ATOM   1163 C CE2 . TYR A 1 134 ? -18.685 -21.507 -30.144 1.00 15.42 ? 140 TYR B CE2 1 
ATOM   1164 C CZ  . TYR A 1 134 ? -18.466 -22.789 -30.630 1.00 16.29 ? 140 TYR B CZ  1 
ATOM   1165 O OH  . TYR A 1 134 ? -19.342 -23.412 -31.480 1.00 16.46 ? 140 TYR B OH  1 
ATOM   1166 N N   . GLU A 1 135 ? -14.143 -23.265 -26.278 1.00 18.07 ? 141 GLU B N   1 
ATOM   1167 C CA  . GLU A 1 135 ? -13.529 -24.607 -26.313 1.00 19.81 ? 141 GLU B CA  1 
ATOM   1168 C C   . GLU A 1 135 ? -13.967 -25.376 -25.080 1.00 17.52 ? 141 GLU B C   1 
ATOM   1169 O O   . GLU A 1 135 ? -14.328 -26.564 -25.220 1.00 19.33 ? 141 GLU B O   1 
ATOM   1170 C CB  . GLU A 1 135 ? -12.008 -24.531 -26.449 1.00 21.42 ? 141 GLU B CB  1 
ATOM   1171 C CG  . GLU A 1 135 ? -11.568 -24.364 -27.914 1.00 27.93 ? 141 GLU B CG  1 
ATOM   1172 C CD  . GLU A 1 135 ? -11.921 -23.012 -28.478 1.00 30.09 ? 141 GLU B CD  1 
ATOM   1173 O OE1 . GLU A 1 135 ? -12.111 -22.910 -29.672 1.00 32.00 ? 141 GLU B OE1 1 
ATOM   1174 O OE2 . GLU A 1 135 ? -12.038 -22.050 -27.689 1.00 32.52 ? 141 GLU B OE2 1 
ATOM   1175 N N   . ALA A 1 136 ? -13.952 -24.770 -23.894 1.00 18.05 ? 142 ALA B N   1 
ATOM   1176 C CA  . ALA A 1 136 ? -14.322 -25.478 -22.661 1.00 19.13 ? 142 ALA B CA  1 
ATOM   1177 C C   . ALA A 1 136 ? -15.835 -25.759 -22.570 1.00 19.27 ? 142 ALA B C   1 
ATOM   1178 O O   . ALA A 1 136 ? -16.235 -26.628 -21.787 1.00 19.91 ? 142 ALA B O   1 
ATOM   1179 C CB  . ALA A 1 136 ? -13.871 -24.687 -21.464 1.00 20.31 ? 142 ALA B CB  1 
ATOM   1180 N N   . GLY A 1 137 ? -16.672 -25.092 -23.346 1.00 16.10 ? 143 GLY B N   1 
ATOM   1181 C CA  . GLY A 1 137 ? -18.124 -25.217 -23.265 1.00 14.70 ? 143 GLY B CA  1 
ATOM   1182 C C   . GLY A 1 137 ? -18.668 -24.600 -21.981 1.00 14.55 ? 143 GLY B C   1 
ATOM   1183 O O   . GLY A 1 137 ? -19.424 -25.317 -21.274 1.00 14.88 ? 143 GLY B O   1 
ATOM   1184 N N   . VAL A 1 138 ? -18.316 -23.364 -21.705 1.00 15.49 ? 144 VAL B N   1 
ATOM   1185 C CA  . VAL A 1 138 ? -18.659 -22.674 -20.421 1.00 15.99 ? 144 VAL B CA  1 
ATOM   1186 C C   . VAL A 1 138 ? -19.269 -21.309 -20.726 1.00 14.82 ? 144 VAL B C   1 
ATOM   1187 O O   . VAL A 1 138 ? -18.664 -20.543 -21.529 1.00 16.72 ? 144 VAL B O   1 
ATOM   1188 C CB  . VAL A 1 138 ? -17.409 -22.514 -19.540 1.00 17.21 ? 144 VAL B CB  1 
ATOM   1189 C CG1 . VAL A 1 138 ? -17.666 -21.605 -18.314 1.00 18.76 ? 144 VAL B CG1 1 
ATOM   1190 C CG2 . VAL A 1 138 ? -16.938 -23.901 -19.109 1.00 17.73 ? 144 VAL B CG2 1 
ATOM   1191 N N   . VAL A 1 139 ? -20.386 -20.999 -20.058 1.00 14.81 ? 145 VAL B N   1 
ATOM   1192 C CA  . VAL A 1 139 ? -20.919 -19.616 -19.977 1.00 13.61 ? 145 VAL B CA  1 
ATOM   1193 C C   . VAL A 1 139 ? -21.126 -19.258 -18.495 1.00 12.93 ? 145 VAL B C   1 
ATOM   1194 O O   . VAL A 1 139 ? -21.889 -19.987 -17.824 1.00 14.96 ? 145 VAL B O   1 
ATOM   1195 C CB  . VAL A 1 139 ? -22.253 -19.491 -20.737 1.00 13.96 ? 145 VAL B CB  1 
ATOM   1196 C CG1 . VAL A 1 139 ? -22.669 -18.024 -20.755 1.00 13.95 ? 145 VAL B CG1 1 
ATOM   1197 C CG2 . VAL A 1 139 ? -22.129 -20.075 -22.152 1.00 13.76 ? 145 VAL B CG2 1 
ATOM   1198 N N   . SER A 1 140 ? -20.477 -18.201 -18.036 1.00 13.75 ? 146 SER B N   1 
ATOM   1199 C CA  . SER A 1 140 ? -20.544 -17.790 -16.619 1.00 14.73 ? 146 SER B CA  1 
ATOM   1200 C C   . SER A 1 140 ? -21.022 -16.345 -16.506 1.00 14.81 ? 146 SER B C   1 
ATOM   1201 O O   . SER A 1 140 ? -20.682 -15.493 -17.333 1.00 15.72 ? 146 SER B O   1 
ATOM   1202 C CB  . SER A 1 140 ? -19.173 -17.990 -15.952 1.00 14.49 ? 146 SER B CB  1 
ATOM   1203 O OG  . SER A 1 140 ? -18.849 -19.380 -15.838 1.00 16.30 ? 146 SER B OG  1 
ATOM   1204 N N   . PHE A 1 141 ? -21.735 -16.077 -15.424 1.00 14.27 ? 147 PHE B N   1 
ATOM   1205 C CA  . PHE A 1 141 ? -22.339 -14.778 -15.138 1.00 13.41 ? 147 PHE B CA  1 
ATOM   1206 C C   . PHE A 1 141 ? -21.804 -14.312 -13.800 1.00 13.60 ? 147 PHE B C   1 
ATOM   1207 O O   . PHE A 1 141 ? -21.844 -15.117 -12.851 1.00 15.05 ? 147 PHE B O   1 
ATOM   1208 C CB  . PHE A 1 141 ? -23.882 -14.883 -15.148 1.00 14.00 ? 147 PHE B CB  1 
ATOM   1209 C CG  . PHE A 1 141 ? -24.461 -15.297 -16.478 1.00 13.88 ? 147 PHE B CG  1 
ATOM   1210 C CD1 . PHE A 1 141 ? -24.555 -16.642 -16.833 1.00 13.71 ? 147 PHE B CD1 1 
ATOM   1211 C CD2 . PHE A 1 141 ? -24.961 -14.340 -17.349 1.00 14.13 ? 147 PHE B CD2 1 
ATOM   1212 C CE1 . PHE A 1 141 ? -25.046 -17.008 -18.080 1.00 13.32 ? 147 PHE B CE1 1 
ATOM   1213 C CE2 . PHE A 1 141 ? -25.476 -14.712 -18.587 1.00 13.20 ? 147 PHE B CE2 1 
ATOM   1214 C CZ  . PHE A 1 141 ? -25.559 -16.048 -18.931 1.00 13.16 ? 147 PHE B CZ  1 
ATOM   1215 N N   . TYR A 1 142 ? -21.459 -13.034 -13.736 1.00 14.85 ? 148 TYR B N   1 
ATOM   1216 C CA  . TYR A 1 142 ? -20.843 -12.388 -12.544 1.00 16.99 ? 148 TYR B CA  1 
ATOM   1217 C C   . TYR A 1 142 ? -21.632 -11.135 -12.138 1.00 18.01 ? 148 TYR B C   1 
ATOM   1218 O O   . TYR A 1 142 ? -22.143 -10.381 -12.943 1.00 17.87 ? 148 TYR B O   1 
ATOM   1219 C CB  . TYR A 1 142 ? -19.362 -12.093 -12.786 1.00 17.44 ? 148 TYR B CB  1 
ATOM   1220 C CG  . TYR A 1 142 ? -18.575 -13.346 -13.060 1.00 18.11 ? 148 TYR B CG  1 
ATOM   1221 C CD1 . TYR A 1 142 ? -18.102 -14.142 -12.027 1.00 18.84 ? 148 TYR B CD1 1 
ATOM   1222 C CD2 . TYR A 1 142 ? -18.388 -13.796 -14.351 1.00 17.38 ? 148 TYR B CD2 1 
ATOM   1223 C CE1 . TYR A 1 142 ? -17.418 -15.317 -12.282 1.00 19.43 ? 148 TYR B CE1 1 
ATOM   1224 C CE2 . TYR A 1 142 ? -17.688 -14.955 -14.620 1.00 19.53 ? 148 TYR B CE2 1 
ATOM   1225 C CZ  . TYR A 1 142 ? -17.185 -15.722 -13.590 1.00 19.73 ? 148 TYR B CZ  1 
ATOM   1226 O OH  . TYR A 1 142 ? -16.521 -16.893 -13.877 1.00 20.46 ? 148 TYR B OH  1 
ATOM   1227 N N   . ASN A 1 143 ? -21.739 -10.928 -10.821 1.00 18.33 ? 149 ASN B N   1 
ATOM   1228 C CA  . ASN A 1 143 ? -22.397 -9.743  -10.201 1.00 17.94 ? 149 ASN B CA  1 
ATOM   1229 C C   . ASN A 1 143 ? -21.352 -8.631  -10.013 1.00 19.77 ? 149 ASN B C   1 
ATOM   1230 O O   . ASN A 1 143 ? -20.592 -8.647  -9.022  1.00 19.63 ? 149 ASN B O   1 
ATOM   1231 C CB  . ASN A 1 143 ? -23.052 -10.180 -8.890  1.00 18.66 ? 149 ASN B CB  1 
ATOM   1232 C CG  . ASN A 1 143 ? -23.853 -9.066  -8.247  1.00 18.24 ? 149 ASN B CG  1 
ATOM   1233 O OD1 . ASN A 1 143 ? -23.642 -7.887  -8.572  1.00 18.37 ? 149 ASN B OD1 1 
ATOM   1234 N ND2 . ASN A 1 143 ? -24.739 -9.437  -7.363  1.00 17.98 ? 149 ASN B ND2 1 
ATOM   1235 N N   . ILE A 1 144 ? -21.241 -7.692  -10.937 1.00 18.27 ? 150 ILE B N   1 
ATOM   1236 C CA  . ILE A 1 144 ? -20.207 -6.625  -10.871 1.00 19.18 ? 150 ILE B CA  1 
ATOM   1237 C C   . ILE A 1 144 ? -20.447 -5.758  -9.613  1.00 21.24 ? 150 ILE B C   1 
ATOM   1238 O O   . ILE A 1 144 ? -19.455 -5.283  -9.040  1.00 22.59 ? 150 ILE B O   1 
ATOM   1239 C CB  . ILE A 1 144 ? -20.206 -5.803  -12.165 1.00 21.25 ? 150 ILE B CB  1 
ATOM   1240 C CG1 . ILE A 1 144 ? -20.036 -6.652  -13.433 1.00 20.24 ? 150 ILE B CG1 1 
ATOM   1241 C CG2 . ILE A 1 144 ? -19.173 -4.683  -12.108 1.00 22.74 ? 150 ILE B CG2 1 
ATOM   1242 C CD1 . ILE A 1 144 ? -18.961 -7.708  -13.340 1.00 25.37 ? 150 ILE B CD1 1 
ATOM   1243 N N   . THR A 1 145 ? -21.699 -5.545  -9.227  1.00 20.16 ? 151 THR B N   1 
ATOM   1244 C CA  . THR A 1 145 ? -22.088 -4.686  -8.059  1.00 21.35 ? 151 THR B CA  1 
ATOM   1245 C C   . THR A 1 145 ? -21.561 -5.304  -6.765  1.00 23.31 ? 151 THR B C   1 
ATOM   1246 O O   . THR A 1 145 ? -21.204 -4.548  -5.843  1.00 26.60 ? 151 THR B O   1 
ATOM   1247 C CB  . THR A 1 145 ? -23.618 -4.533  -7.991  1.00 21.31 ? 151 THR B CB  1 
ATOM   1248 O OG1 . THR A 1 145 ? -24.049 -4.052  -9.264  1.00 21.00 ? 151 THR B OG1 1 
ATOM   1249 C CG2 . THR A 1 145 ? -24.068 -3.579  -6.914  1.00 24.21 ? 151 THR B CG2 1 
ATOM   1250 N N   . ASP A 1 146 ? -21.515 -6.631  -6.698  1.00 23.59 ? 152 ASP B N   1 
ATOM   1251 C CA  . ASP A 1 146 ? -21.015 -7.403  -5.528  1.00 24.28 ? 152 ASP B CA  1 
ATOM   1252 C C   . ASP A 1 146 ? -19.596 -7.942  -5.777  1.00 24.66 ? 152 ASP B C   1 
ATOM   1253 O O   . ASP A 1 146 ? -19.383 -9.141  -5.606  1.00 24.64 ? 152 ASP B O   1 
ATOM   1254 C CB  . ASP A 1 146 ? -22.026 -8.476  -5.185  1.00 23.89 ? 152 ASP B CB  1 
ATOM   1255 C CG  . ASP A 1 146 ? -21.671 -9.242  -3.932  1.00 29.96 ? 152 ASP B CG  1 
ATOM   1256 O OD1 . ASP A 1 146 ? -21.239 -8.579  -2.952  1.00 27.13 ? 152 ASP B OD1 1 
ATOM   1257 O OD2 . ASP A 1 146 ? -21.823 -10.499 -3.959  1.00 27.26 ? 152 ASP B OD2 1 
ATOM   1258 N N   . HIS A 1 147 ? -18.652 -7.076  -6.132  1.00 26.11 ? 153 HIS B N   1 
ATOM   1259 C CA  . HIS A 1 147 ? -17.210 -7.414  -6.274  1.00 29.49 ? 153 HIS B CA  1 
ATOM   1260 C C   . HIS A 1 147 ? -17.033 -8.608  -7.229  1.00 29.22 ? 153 HIS B C   1 
ATOM   1261 O O   . HIS A 1 147 ? -16.108 -9.390  -7.023  1.00 27.62 ? 153 HIS B O   1 
ATOM   1262 C CB  . HIS A 1 147 ? -16.590 -7.771  -4.915  1.00 35.19 ? 153 HIS B CB  1 
ATOM   1263 C CG  . HIS A 1 147 ? -16.831 -6.795  -3.806  1.00 41.57 ? 153 HIS B CG  1 
ATOM   1264 N ND1 . HIS A 1 147 ? -16.290 -5.521  -3.807  1.00 52.24 ? 153 HIS B ND1 1 
ATOM   1265 C CD2 . HIS A 1 147 ? -17.503 -6.927  -2.640  1.00 48.91 ? 153 HIS B CD2 1 
ATOM   1266 C CE1 . HIS A 1 147 ? -16.655 -4.890  -2.702  1.00 54.68 ? 153 HIS B CE1 1 
ATOM   1267 N NE2 . HIS A 1 147 ? -17.400 -5.736  -1.966  1.00 51.38 ? 153 HIS B NE2 1 
ATOM   1268 N N   . GLY A 1 148 ? -17.901 -8.782  -8.224  1.00 23.64 ? 154 GLY B N   1 
ATOM   1269 C CA  . GLY A 1 148 ? -17.658 -9.797  -9.268  1.00 20.88 ? 154 GLY B CA  1 
ATOM   1270 C C   . GLY A 1 148 ? -18.040 -11.200 -8.843  1.00 18.79 ? 154 GLY B C   1 
ATOM   1271 O O   . GLY A 1 148 ? -17.479 -12.130 -9.416  1.00 20.56 ? 154 GLY B O   1 
ATOM   1272 N N   . SER A 1 149 ? -18.865 -11.363 -7.807  1.00 18.81 ? 155 SER B N   1 
ATOM   1273 C CA  . SER A 1 149 ? -19.250 -12.679 -7.254  1.00 18.77 ? 155 SER B CA  1 
ATOM   1274 C C   . SER A 1 149 ? -19.934 -13.528 -8.337  1.00 18.55 ? 155 SER B C   1 
ATOM   1275 O O   . SER A 1 149 ? -20.700 -12.984 -9.162  1.00 19.19 ? 155 SER B O   1 
ATOM   1276 C CB  . SER A 1 149 ? -20.103 -12.543 -6.017  1.00 19.81 ? 155 SER B CB  1 
ATOM   1277 O OG  . SER A 1 149 ? -21.314 -11.802 -6.228  1.00 20.23 ? 155 SER B OG  1 
ATOM   1278 N N   . LEU A 1 150 ? -19.700 -14.833 -8.333  1.00 17.68 ? 156 LEU B N   1 
ATOM   1279 C CA  . LEU A 1 150 ? -20.367 -15.728 -9.322  1.00 16.71 ? 156 LEU B CA  1 
ATOM   1280 C C   . LEU A 1 150 ? -21.878 -15.785 -9.117  1.00 16.51 ? 156 LEU B C   1 
ATOM   1281 O O   . LEU A 1 150 ? -22.370 -16.044 -7.982  1.00 16.56 ? 156 LEU B O   1 
ATOM   1282 C CB  . LEU A 1 150 ? -19.787 -17.141 -9.211  1.00 16.64 ? 156 LEU B CB  1 
ATOM   1283 C CG  . LEU A 1 150 ? -20.335 -18.207 -10.164 1.00 17.15 ? 156 LEU B CG  1 
ATOM   1284 C CD1 . LEU A 1 150 ? -19.961 -17.950 -11.616 1.00 16.68 ? 156 LEU B CD1 1 
ATOM   1285 C CD2 . LEU A 1 150 ? -19.790 -19.603 -9.781  1.00 18.82 ? 156 LEU B CD2 1 
ATOM   1286 N N   . ILE A 1 151 ? -22.619 -15.619 -10.201 1.00 13.91 ? 157 ILE B N   1 
ATOM   1287 C CA  . ILE A 1 151 ? -24.074 -15.851 -10.217 1.00 15.68 ? 157 ILE B CA  1 
ATOM   1288 C C   . ILE A 1 151 ? -24.359 -17.287 -10.668 1.00 16.11 ? 157 ILE B C   1 
ATOM   1289 O O   . ILE A 1 151 ? -25.189 -17.979 -10.050 1.00 14.86 ? 157 ILE B O   1 
ATOM   1290 C CB  . ILE A 1 151 ? -24.760 -14.804 -11.115 1.00 16.29 ? 157 ILE B CB  1 
ATOM   1291 C CG1 . ILE A 1 151 ? -24.571 -13.397 -10.552 1.00 16.32 ? 157 ILE B CG1 1 
ATOM   1292 C CG2 . ILE A 1 151 ? -26.237 -15.147 -11.341 1.00 17.22 ? 157 ILE B CG2 1 
ATOM   1293 C CD1 . ILE A 1 151 ? -24.952 -12.275 -11.493 1.00 18.52 ? 157 ILE B CD1 1 
ATOM   1294 N N   . TYR A 1 152 ? -23.818 -17.693 -11.819 1.00 14.64 ? 158 TYR B N   1 
ATOM   1295 C CA  . TYR A 1 152 ? -24.211 -18.994 -12.417 1.00 13.50 ? 158 TYR B CA  1 
ATOM   1296 C C   . TYR A 1 152 ? -23.172 -19.390 -13.467 1.00 13.58 ? 158 TYR B C   1 
ATOM   1297 O O   . TYR A 1 152 ? -22.709 -18.512 -14.213 1.00 13.82 ? 158 TYR B O   1 
ATOM   1298 C CB  . TYR A 1 152 ? -25.597 -18.943 -13.097 1.00 14.02 ? 158 TYR B CB  1 
ATOM   1299 C CG  . TYR A 1 152 ? -26.130 -20.312 -13.444 1.00 13.25 ? 158 TYR B CG  1 
ATOM   1300 C CD1 . TYR A 1 152 ? -26.753 -21.108 -12.494 1.00 14.43 ? 158 TYR B CD1 1 
ATOM   1301 C CD2 . TYR A 1 152 ? -25.966 -20.848 -14.704 1.00 12.32 ? 158 TYR B CD2 1 
ATOM   1302 C CE1 . TYR A 1 152 ? -27.164 -22.402 -12.794 1.00 13.57 ? 158 TYR B CE1 1 
ATOM   1303 C CE2 . TYR A 1 152 ? -26.422 -22.119 -15.027 1.00 13.31 ? 158 TYR B CE2 1 
ATOM   1304 C CZ  . TYR A 1 152 ? -26.990 -22.914 -14.063 1.00 13.84 ? 158 TYR B CZ  1 
ATOM   1305 O OH  . TYR A 1 152 ? -27.391 -24.192 -14.329 1.00 16.45 ? 158 TYR B OH  1 
ATOM   1306 N N   . THR A 1 153 ? -22.896 -20.693 -13.529 1.00 13.66 ? 159 THR B N   1 
ATOM   1307 C CA  . THR A 1 153 ? -22.054 -21.311 -14.583 1.00 14.06 ? 159 THR B CA  1 
ATOM   1308 C C   . THR A 1 153 ? -22.831 -22.420 -15.285 1.00 15.26 ? 159 THR B C   1 
ATOM   1309 O O   . THR A 1 153 ? -23.198 -23.425 -14.665 1.00 15.50 ? 159 THR B O   1 
ATOM   1310 C CB  . THR A 1 153 ? -20.705 -21.815 -14.028 1.00 14.59 ? 159 THR B CB  1 
ATOM   1311 O OG1 . THR A 1 153 ? -19.873 -20.716 -13.690 1.00 15.05 ? 159 THR B OG1 1 
ATOM   1312 C CG2 . THR A 1 153 ? -19.993 -22.684 -15.055 1.00 15.74 ? 159 THR B CG2 1 
ATOM   1313 N N   . PHE A 1 154 ? -23.049 -22.259 -16.601 1.00 14.20 ? 160 PHE B N   1 
ATOM   1314 C CA  . PHE A 1 154 ? -23.437 -23.363 -17.512 1.00 13.94 ? 160 PHE B CA  1 
ATOM   1315 C C   . PHE A 1 154 ? -22.134 -24.050 -17.922 1.00 14.31 ? 160 PHE B C   1 
ATOM   1316 O O   . PHE A 1 154 ? -21.252 -23.416 -18.503 1.00 13.66 ? 160 PHE B O   1 
ATOM   1317 C CB  . PHE A 1 154 ? -24.118 -22.861 -18.779 1.00 14.42 ? 160 PHE B CB  1 
ATOM   1318 C CG  . PHE A 1 154 ? -25.485 -22.263 -18.621 1.00 12.67 ? 160 PHE B CG  1 
ATOM   1319 C CD1 . PHE A 1 154 ? -25.608 -20.901 -18.366 1.00 12.59 ? 160 PHE B CD1 1 
ATOM   1320 C CD2 . PHE A 1 154 ? -26.639 -23.001 -18.857 1.00 13.55 ? 160 PHE B CD2 1 
ATOM   1321 C CE1 . PHE A 1 154 ? -26.871 -20.334 -18.286 1.00 12.38 ? 160 PHE B CE1 1 
ATOM   1322 C CE2 . PHE A 1 154 ? -27.897 -22.411 -18.813 1.00 12.73 ? 160 PHE B CE2 1 
ATOM   1323 C CZ  . PHE A 1 154 ? -27.999 -21.069 -18.508 1.00 12.72 ? 160 PHE B CZ  1 
ATOM   1324 N N   . SER A 1 155 ? -22.046 -25.334 -17.664 1.00 14.91 ? 161 SER B N   1 
ATOM   1325 C CA  . SER A 1 155 ? -20.881 -26.114 -18.095 1.00 16.59 ? 161 SER B CA  1 
ATOM   1326 C C   . SER A 1 155 ? -21.354 -27.296 -18.957 1.00 16.72 ? 161 SER B C   1 
ATOM   1327 O O   . SER A 1 155 ? -22.553 -27.542 -19.062 1.00 17.30 ? 161 SER B O   1 
ATOM   1328 C CB  . SER A 1 155 ? -20.103 -26.528 -16.853 1.00 19.10 ? 161 SER B CB  1 
ATOM   1329 O OG  . SER A 1 155 ? -20.753 -27.593 -16.202 1.00 20.89 ? 161 SER B OG  1 
ATOM   1330 N N   . GLU A 1 156 ? -20.417 -27.926 -19.664 1.00 18.62 ? 162 GLU B N   1 
ATOM   1331 C CA  . GLU A 1 156 ? -20.722 -28.991 -20.663 1.00 20.80 ? 162 GLU B CA  1 
ATOM   1332 C C   . GLU A 1 156 ? -21.701 -28.445 -21.721 1.00 19.60 ? 162 GLU B C   1 
ATOM   1333 O O   . GLU A 1 156 ? -22.598 -29.199 -22.158 1.00 19.79 ? 162 GLU B O   1 
ATOM   1334 C CB  . GLU A 1 156 ? -21.377 -30.213 -20.024 1.00 24.42 ? 162 GLU B CB  1 
ATOM   1335 C CG  . GLU A 1 156 ? -20.792 -30.626 -18.692 1.00 31.09 ? 162 GLU B CG  1 
ATOM   1336 C CD  . GLU A 1 156 ? -21.323 -31.977 -18.231 1.00 41.82 ? 162 GLU B CD  1 
ATOM   1337 O OE1 . GLU A 1 156 ? -22.503 -32.049 -17.789 1.00 42.20 ? 162 GLU B OE1 1 
ATOM   1338 O OE2 . GLU A 1 156 ? -20.582 -32.969 -18.380 1.00 49.78 ? 162 GLU B OE2 1 
ATOM   1339 N N   . CYS A 1 157 ? -21.576 -27.169 -22.089 1.00 18.35 ? 163 CYS B N   1 
ATOM   1340 C CA  . CYS A 1 157 ? -22.457 -26.570 -23.113 1.00 16.66 ? 163 CYS B CA  1 
ATOM   1341 C C   . CYS A 1 157 ? -22.174 -27.222 -24.472 1.00 16.85 ? 163 CYS B C   1 
ATOM   1342 O O   . CYS A 1 157 ? -20.969 -27.414 -24.825 1.00 18.44 ? 163 CYS B O   1 
ATOM   1343 C CB  . CYS A 1 157 ? -22.240 -25.072 -23.255 1.00 15.98 ? 163 CYS B CB  1 
ATOM   1344 S SG  . CYS A 1 157 ? -22.613 -24.154 -21.729 1.00 17.00 ? 163 CYS B SG  1 
ATOM   1345 N N   . VAL A 1 158 ? -23.229 -27.467 -25.228 1.00 16.49 ? 164 VAL B N   1 
ATOM   1346 C CA  . VAL A 1 158 ? -23.100 -27.969 -26.624 1.00 17.36 ? 164 VAL B CA  1 
ATOM   1347 C C   . VAL A 1 158 ? -23.524 -26.838 -27.573 1.00 16.01 ? 164 VAL B C   1 
ATOM   1348 O O   . VAL A 1 158 ? -24.701 -26.738 -27.946 1.00 18.21 ? 164 VAL B O   1 
ATOM   1349 C CB  . VAL A 1 158 ? -23.853 -29.307 -26.798 1.00 20.83 ? 164 VAL B CB  1 
ATOM   1350 C CG1 . VAL A 1 158 ? -23.717 -29.806 -28.226 1.00 22.30 ? 164 VAL B CG1 1 
ATOM   1351 C CG2 . VAL A 1 158 ? -23.345 -30.362 -25.825 1.00 22.59 ? 164 VAL B CG2 1 
ATOM   1352 N N   . PHE A 1 159 ? -22.603 -25.926 -27.895 1.00 16.10 ? 165 PHE B N   1 
ATOM   1353 C CA  . PHE A 1 159 ? -22.946 -24.676 -28.610 1.00 15.54 ? 165 PHE B CA  1 
ATOM   1354 C C   . PHE A 1 159 ? -23.520 -25.037 -29.989 1.00 18.32 ? 165 PHE B C   1 
ATOM   1355 O O   . PHE A 1 159 ? -24.573 -24.498 -30.397 1.00 16.97 ? 165 PHE B O   1 
ATOM   1356 C CB  . PHE A 1 159 ? -21.770 -23.722 -28.657 1.00 16.11 ? 165 PHE B CB  1 
ATOM   1357 C CG  . PHE A 1 159 ? -21.334 -23.235 -27.295 1.00 14.90 ? 165 PHE B CG  1 
ATOM   1358 C CD1 . PHE A 1 159 ? -22.271 -22.786 -26.389 1.00 15.11 ? 165 PHE B CD1 1 
ATOM   1359 C CD2 . PHE A 1 159 ? -19.996 -23.231 -26.924 1.00 15.74 ? 165 PHE B CD2 1 
ATOM   1360 C CE1 . PHE A 1 159 ? -21.876 -22.311 -25.141 1.00 14.49 ? 165 PHE B CE1 1 
ATOM   1361 C CE2 . PHE A 1 159 ? -19.598 -22.774 -25.680 1.00 16.19 ? 165 PHE B CE2 1 
ATOM   1362 C CZ  . PHE A 1 159 ? -20.544 -22.298 -24.796 1.00 15.68 ? 165 PHE B CZ  1 
ATOM   1363 N N   . ALA A 1 160 ? -22.838 -25.942 -30.669 1.00 17.56 ? 166 ALA B N   1 
ATOM   1364 C CA  . ALA A 1 160 ? -23.275 -26.517 -31.960 1.00 17.91 ? 166 ALA B CA  1 
ATOM   1365 C C   . ALA A 1 160 ? -23.413 -25.452 -33.054 1.00 17.69 ? 166 ALA B C   1 
ATOM   1366 O O   . ALA A 1 160 ? -24.231 -25.683 -33.994 1.00 18.58 ? 166 ALA B O   1 
ATOM   1367 C CB  . ALA A 1 160 ? -24.550 -27.271 -31.808 1.00 18.03 ? 166 ALA B CB  1 
ATOM   1368 N N   . GLY A 1 161 ? -22.692 -24.349 -32.957 1.00 18.63 ? 167 GLY B N   1 
ATOM   1369 C CA  . GLY A 1 161 ? -22.678 -23.295 -33.974 1.00 18.80 ? 167 GLY B CA  1 
ATOM   1370 C C   . GLY A 1 161 ? -22.006 -22.044 -33.471 1.00 17.32 ? 167 GLY B C   1 
ATOM   1371 O O   . GLY A 1 161 ? -21.582 -21.979 -32.302 1.00 16.62 ? 167 GLY B O   1 
ATOM   1372 N N   . PRO A 1 162 ? -21.880 -21.024 -34.320 1.00 16.57 ? 168 PRO B N   1 
ATOM   1373 C CA  . PRO A 1 162 ? -21.411 -19.722 -33.880 1.00 15.00 ? 168 PRO B CA  1 
ATOM   1374 C C   . PRO A 1 162 ? -22.361 -19.167 -32.804 1.00 15.54 ? 168 PRO B C   1 
ATOM   1375 O O   . PRO A 1 162 ? -23.572 -19.418 -32.846 1.00 15.79 ? 168 PRO B O   1 
ATOM   1376 C CB  . PRO A 1 162 ? -21.377 -18.841 -35.137 1.00 15.96 ? 168 PRO B CB  1 
ATOM   1377 C CG  . PRO A 1 162 ? -21.512 -19.832 -36.283 1.00 15.92 ? 168 PRO B CG  1 
ATOM   1378 C CD  . PRO A 1 162 ? -22.217 -21.040 -35.757 1.00 15.58 ? 168 PRO B CD  1 
ATOM   1379 N N   . LEU A 1 163 ? -21.789 -18.421 -31.856 1.00 15.88 ? 169 LEU B N   1 
ATOM   1380 C CA  . LEU A 1 163 ? -22.570 -17.789 -30.765 1.00 15.28 ? 169 LEU B CA  1 
ATOM   1381 C C   . LEU A 1 163 ? -22.688 -16.295 -31.024 1.00 15.72 ? 169 LEU B C   1 
ATOM   1382 O O   . LEU A 1 163 ? -21.724 -15.657 -31.477 1.00 17.01 ? 169 LEU B O   1 
ATOM   1383 C CB  . LEU A 1 163 ? -21.871 -18.029 -29.429 1.00 15.28 ? 169 LEU B CB  1 
ATOM   1384 C CG  . LEU A 1 163 ? -21.880 -19.464 -28.880 1.00 15.21 ? 169 LEU B CG  1 
ATOM   1385 C CD1 . LEU A 1 163 ? -21.076 -19.517 -27.583 1.00 16.81 ? 169 LEU B CD1 1 
ATOM   1386 C CD2 . LEU A 1 163 ? -23.308 -19.943 -28.650 1.00 17.32 ? 169 LEU B CD2 1 
ATOM   1387 N N   . ARG A 1 164 ? -23.838 -15.728 -30.626 1.00 15.05 ? 170 ARG B N   1 
ATOM   1388 C CA  . ARG A 1 164 ? -24.059 -14.265 -30.615 1.00 14.41 ? 170 ARG B CA  1 
ATOM   1389 C C   . ARG A 1 164 ? -24.469 -13.815 -29.211 1.00 12.75 ? 170 ARG B C   1 
ATOM   1390 O O   . ARG A 1 164 ? -25.203 -14.518 -28.529 1.00 14.24 ? 170 ARG B O   1 
ATOM   1391 C CB  . ARG A 1 164 ? -25.093 -13.886 -31.665 1.00 16.15 ? 170 ARG B CB  1 
ATOM   1392 C CG  . ARG A 1 164 ? -24.593 -14.274 -33.057 1.00 17.07 ? 170 ARG B CG  1 
ATOM   1393 C CD  . ARG A 1 164 ? -25.522 -13.888 -34.169 1.00 20.20 ? 170 ARG B CD  1 
ATOM   1394 N NE  . ARG A 1 164 ? -25.567 -12.437 -34.272 1.00 19.96 ? 170 ARG B NE  1 
ATOM   1395 C CZ  . ARG A 1 164 ? -26.286 -11.799 -35.183 1.00 20.75 ? 170 ARG B CZ  1 
ATOM   1396 N NH1 . ARG A 1 164 ? -26.891 -12.513 -36.111 1.00 19.79 ? 170 ARG B NH1 1 
ATOM   1397 N NH2 . ARG A 1 164 ? -26.300 -10.474 -35.214 1.00 19.47 ? 170 ARG B NH2 1 
ATOM   1398 N N   . PRO A 1 165 ? -24.020 -12.627 -28.782 1.00 13.85 ? 171 PRO B N   1 
ATOM   1399 C CA  . PRO A 1 165 ? -24.534 -12.026 -27.547 1.00 12.68 ? 171 PRO B CA  1 
ATOM   1400 C C   . PRO A 1 165 ? -26.058 -11.878 -27.712 1.00 12.75 ? 171 PRO B C   1 
ATOM   1401 O O   . PRO A 1 165 ? -26.553 -11.538 -28.796 1.00 14.90 ? 171 PRO B O   1 
ATOM   1402 C CB  . PRO A 1 165 ? -23.856 -10.635 -27.458 1.00 13.35 ? 171 PRO B CB  1 
ATOM   1403 C CG  . PRO A 1 165 ? -22.604 -10.810 -28.289 1.00 14.46 ? 171 PRO B CG  1 
ATOM   1404 C CD  . PRO A 1 165 ? -23.027 -11.747 -29.415 1.00 15.46 ? 171 PRO B CD  1 
ATOM   1405 N N   . PHE A 1 166 ? -26.800 -12.107 -26.629 1.00 12.46 ? 172 PHE B N   1 
ATOM   1406 C CA  . PHE A 1 166 ? -28.280 -12.157 -26.623 1.00 12.41 ? 172 PHE B CA  1 
ATOM   1407 C C   . PHE A 1 166 ? -28.821 -11.205 -25.543 1.00 12.46 ? 172 PHE B C   1 
ATOM   1408 O O   . PHE A 1 166 ? -28.292 -11.158 -24.404 1.00 13.06 ? 172 PHE B O   1 
ATOM   1409 C CB  . PHE A 1 166 ? -28.764 -13.588 -26.347 1.00 12.77 ? 172 PHE B CB  1 
ATOM   1410 C CG  . PHE A 1 166 ? -30.252 -13.663 -26.151 1.00 13.70 ? 172 PHE B CG  1 
ATOM   1411 C CD1 . PHE A 1 166 ? -31.098 -13.640 -27.256 1.00 14.03 ? 172 PHE B CD1 1 
ATOM   1412 C CD2 . PHE A 1 166 ? -30.811 -13.677 -24.878 1.00 13.82 ? 172 PHE B CD2 1 
ATOM   1413 C CE1 . PHE A 1 166 ? -32.475 -13.693 -27.092 1.00 14.18 ? 172 PHE B CE1 1 
ATOM   1414 C CE2 . PHE A 1 166 ? -32.189 -13.692 -24.725 1.00 14.02 ? 172 PHE B CE2 1 
ATOM   1415 C CZ  . PHE A 1 166 ? -33.009 -13.705 -25.826 1.00 14.21 ? 172 PHE B CZ  1 
ATOM   1416 N N   . PHE A 1 167 ? -29.871 -10.464 -25.886 1.00 13.63 ? 173 PHE B N   1 
ATOM   1417 C CA  . PHE A 1 167 ? -30.454 -9.439  -24.990 1.00 12.69 ? 173 PHE B CA  1 
ATOM   1418 C C   . PHE A 1 167 ? -31.974 -9.482  -25.075 1.00 13.22 ? 173 PHE B C   1 
ATOM   1419 O O   . PHE A 1 167 ? -32.495 -9.582  -26.191 1.00 14.28 ? 173 PHE B O   1 
ATOM   1420 C CB  . PHE A 1 167 ? -29.982 -8.020  -25.374 1.00 13.14 ? 173 PHE B CB  1 
ATOM   1421 C CG  . PHE A 1 167 ? -28.487 -7.852  -25.492 1.00 13.54 ? 173 PHE B CG  1 
ATOM   1422 C CD1 . PHE A 1 167 ? -27.847 -8.202  -26.671 1.00 13.88 ? 173 PHE B CD1 1 
ATOM   1423 C CD2 . PHE A 1 167 ? -27.733 -7.388  -24.419 1.00 14.71 ? 173 PHE B CD2 1 
ATOM   1424 C CE1 . PHE A 1 167 ? -26.463 -8.145  -26.761 1.00 14.63 ? 173 PHE B CE1 1 
ATOM   1425 C CE2 . PHE A 1 167 ? -26.361 -7.276  -24.532 1.00 15.08 ? 173 PHE B CE2 1 
ATOM   1426 C CZ  . PHE A 1 167 ? -25.735 -7.642  -25.708 1.00 15.65 ? 173 PHE B CZ  1 
ATOM   1427 N N   . ASN A 1 168 ? -32.636 -9.308  -23.937 1.00 12.19 ? 174 ASN B N   1 
ATOM   1428 C CA  . ASN A 1 168 ? -34.096 -9.032  -23.921 1.00 12.52 ? 174 ASN B CA  1 
ATOM   1429 C C   . ASN A 1 168 ? -34.328 -7.881  -22.945 1.00 14.17 ? 174 ASN B C   1 
ATOM   1430 O O   . ASN A 1 168 ? -33.999 -8.059  -21.769 1.00 14.39 ? 174 ASN B O   1 
ATOM   1431 C CB  . ASN A 1 168 ? -34.871 -10.279 -23.509 1.00 13.70 ? 174 ASN B CB  1 
ATOM   1432 C CG  . ASN A 1 168 ? -36.368 -10.106 -23.603 1.00 15.76 ? 174 ASN B CG  1 
ATOM   1433 O OD1 . ASN A 1 168 ? -36.866 -9.035  -23.885 1.00 15.72 ? 174 ASN B OD1 1 
ATOM   1434 N ND2 . ASN A 1 168 ? -37.104 -11.173 -23.352 1.00 18.48 ? 174 ASN B ND2 1 
ATOM   1435 N N   . VAL A 1 169 ? -34.838 -6.723  -23.420 1.00 13.87 ? 175 VAL B N   1 
ATOM   1436 C CA  . VAL A 1 169 ? -35.090 -5.563  -22.507 1.00 14.52 ? 175 VAL B CA  1 
ATOM   1437 C C   . VAL A 1 169 ? -36.343 -5.812  -21.650 1.00 16.04 ? 175 VAL B C   1 
ATOM   1438 O O   . VAL A 1 169 ? -36.561 -5.028  -20.697 1.00 15.92 ? 175 VAL B O   1 
ATOM   1439 C CB  . VAL A 1 169 ? -35.220 -4.236  -23.282 1.00 15.39 ? 175 VAL B CB  1 
ATOM   1440 C CG1 . VAL A 1 169 ? -33.944 -3.932  -24.012 1.00 15.84 ? 175 VAL B CG1 1 
ATOM   1441 C CG2 . VAL A 1 169 ? -36.413 -4.230  -24.242 1.00 15.48 ? 175 VAL B CG2 1 
ATOM   1442 N N   . GLY A 1 170 ? -37.115 -6.855  -21.963 1.00 16.18 ? 176 GLY B N   1 
ATOM   1443 C CA  . GLY A 1 170 ? -38.380 -7.180  -21.260 1.00 18.76 ? 176 GLY B CA  1 
ATOM   1444 C C   . GLY A 1 170 ? -39.548 -6.297  -21.653 1.00 17.45 ? 176 GLY B C   1 
ATOM   1445 O O   . GLY A 1 170 ? -39.363 -5.236  -22.246 1.00 17.77 ? 176 GLY B O   1 
ATOM   1446 N N   . PHE A 1 171 ? -40.738 -6.772  -21.267 0.34 18.50 ? 177 PHE B N   1 
ATOM   1447 C CA  . PHE A 1 171 ? -42.058 -6.108  -21.398 0.34 18.56 ? 177 PHE B CA  1 
ATOM   1448 C C   . PHE A 1 171 ? -42.072 -4.851  -20.514 0.34 17.78 ? 177 PHE B C   1 
ATOM   1449 O O   . PHE A 1 171 ? -41.263 -4.799  -19.569 0.34 16.74 ? 177 PHE B O   1 
ATOM   1450 C CB  . PHE A 1 171 ? -43.169 -7.084  -20.985 0.34 19.04 ? 177 PHE B CB  1 
ATOM   1451 C CG  . PHE A 1 171 ? -43.239 -8.394  -21.737 0.34 19.09 ? 177 PHE B CG  1 
ATOM   1452 C CD1 . PHE A 1 171 ? -43.041 -8.448  -23.109 0.34 19.33 ? 177 PHE B CD1 1 
ATOM   1453 C CD2 . PHE A 1 171 ? -43.569 -9.573  -21.079 0.34 20.12 ? 177 PHE B CD2 1 
ATOM   1454 C CE1 . PHE A 1 171 ? -43.135 -9.649  -23.795 0.34 19.81 ? 177 PHE B CE1 1 
ATOM   1455 C CE2 . PHE A 1 171 ? -43.664 -10.776 -21.764 0.34 20.34 ? 177 PHE B CE2 1 
ATOM   1456 C CZ  . PHE A 1 171 ? -43.447 -10.810 -23.123 0.34 19.60 ? 177 PHE B CZ  1 
ATOM   1457 N N   . ASN A 1 172 ? -42.960 -3.885  -20.781 1.00 17.94 ? 178 ASN B N   1 
ATOM   1458 C CA  . ASN A 1 172 ? -43.130 -2.728  -19.880 1.00 17.31 ? 178 ASN B CA  1 
ATOM   1459 C C   . ASN A 1 172 ? -44.637 -2.529  -19.701 1.00 15.95 ? 178 ASN B C   1 
ATOM   1460 O O   . ASN A 1 172 ? -45.092 -1.380  -19.802 1.00 18.12 ? 178 ASN B O   1 
ATOM   1461 C CB  . ASN A 1 172 ? -42.427 -1.509  -20.435 1.00 17.70 ? 178 ASN B CB  1 
ATOM   1462 C CG  . ASN A 1 172 ? -42.449 -0.372  -19.454 1.00 17.63 ? 178 ASN B CG  1 
ATOM   1463 O OD1 . ASN A 1 172 ? -42.475 -0.585  -18.243 1.00 17.48 ? 178 ASN B OD1 1 
ATOM   1464 N ND2 . ASN A 1 172 ? -42.487 0.854   -19.940 1.00 20.28 ? 178 ASN B ND2 1 
ATOM   1465 N N   . TYR A 1 173 ? -45.348 -3.592  -19.381 1.00 18.17 ? 179 TYR B N   1 
ATOM   1466 C CA  . TYR A 1 173 ? -46.788 -3.511  -18.993 1.00 17.94 ? 179 TYR B CA  1 
ATOM   1467 C C   . TYR A 1 173 ? -46.947 -2.654  -17.726 1.00 19.11 ? 179 TYR B C   1 
ATOM   1468 O O   . TYR A 1 173 ? -48.003 -1.974  -17.541 1.00 19.93 ? 179 TYR B O   1 
ATOM   1469 C CB  . TYR A 1 173 ? -47.345 -4.926  -18.795 1.00 17.97 ? 179 TYR B CB  1 
ATOM   1470 C CG  . TYR A 1 173 ? -47.429 -5.778  -20.033 1.00 19.58 ? 179 TYR B CG  1 
ATOM   1471 C CD1 . TYR A 1 173 ? -48.375 -5.529  -21.010 1.00 23.91 ? 179 TYR B CD1 1 
ATOM   1472 C CD2 . TYR A 1 173 ? -46.592 -6.876  -20.189 1.00 23.16 ? 179 TYR B CD2 1 
ATOM   1473 C CE1 . TYR A 1 173 ? -48.432 -6.284  -22.175 1.00 24.41 ? 179 TYR B CE1 1 
ATOM   1474 C CE2 . TYR A 1 173 ? -46.653 -7.654  -21.341 1.00 24.39 ? 179 TYR B CE2 1 
ATOM   1475 C CZ  . TYR A 1 173 ? -47.580 -7.367  -22.323 1.00 25.24 ? 179 TYR B CZ  1 
ATOM   1476 O OH  . TYR A 1 173 ? -47.642 -8.172  -23.437 1.00 26.01 ? 179 TYR B OH  1 
ATOM   1477 N N   . SER A 1 174 ? -45.972 -2.683  -16.824 1.00 16.95 ? 180 SER B N   1 
ATOM   1478 C CA  . SER A 1 174 ? -46.068 -2.073  -15.467 1.00 16.68 ? 180 SER B CA  1 
ATOM   1479 C C   . SER A 1 174 ? -45.776 -0.568  -15.524 1.00 17.40 ? 180 SER B C   1 
ATOM   1480 O O   . SER A 1 174 ? -46.020 0.100   -14.514 1.00 17.72 ? 180 SER B O   1 
ATOM   1481 C CB  . SER A 1 174 ? -45.102 -2.691  -14.482 1.00 17.97 ? 180 SER B CB  1 
ATOM   1482 O OG  . SER A 1 174 ? -43.766 -2.465  -14.905 1.00 17.92 ? 180 SER B OG  1 
ATOM   1483 N N   . GLY A 1 175 ? -45.132 -0.090  -16.582 1.00 17.46 ? 181 GLY B N   1 
ATOM   1484 C CA  . GLY A 1 175 ? -44.588 1.280   -16.558 1.00 17.04 ? 181 GLY B CA  1 
ATOM   1485 C C   . GLY A 1 175 ? -43.368 1.440   -15.689 1.00 17.80 ? 181 GLY B C   1 
ATOM   1486 O O   . GLY A 1 175 ? -42.885 2.595   -15.543 1.00 20.20 ? 181 GLY B O   1 
ATOM   1487 N N   . GLY A 1 176 ? -42.834 0.360   -15.127 1.00 17.16 ? 182 GLY B N   1 
ATOM   1488 C CA  . GLY A 1 176 ? -41.636 0.415   -14.285 1.00 16.96 ? 182 GLY B CA  1 
ATOM   1489 C C   . GLY A 1 176 ? -40.413 -0.225  -14.953 1.00 16.84 ? 182 GLY B C   1 
ATOM   1490 O O   . GLY A 1 176 ? -39.368 -0.304  -14.255 1.00 17.78 ? 182 GLY B O   1 
ATOM   1491 N N   . ASN A 1 177 ? -40.500 -0.661  -16.216 1.00 14.37 ? 183 ASN B N   1 
ATOM   1492 C CA  . ASN A 1 177 ? -39.374 -1.335  -16.894 1.00 14.53 ? 183 ASN B CA  1 
ATOM   1493 C C   . ASN A 1 177 ? -38.934 -0.651  -18.200 1.00 14.50 ? 183 ASN B C   1 
ATOM   1494 O O   . ASN A 1 177 ? -38.380 -1.343  -19.070 1.00 15.56 ? 183 ASN B O   1 
ATOM   1495 C CB  . ASN A 1 177 ? -39.736 -2.801  -17.158 1.00 15.09 ? 183 ASN B CB  1 
ATOM   1496 C CG  . ASN A 1 177 ? -38.527 -3.643  -17.483 1.00 15.21 ? 183 ASN B CG  1 
ATOM   1497 O OD1 . ASN A 1 177 ? -37.508 -3.468  -16.839 1.00 16.16 ? 183 ASN B OD1 1 
ATOM   1498 N ND2 . ASN A 1 177 ? -38.671 -4.551  -18.434 1.00 15.76 ? 183 ASN B ND2 1 
ATOM   1499 N N   . ALA A 1 178 ? -38.989 0.677   -18.260 1.00 16.09 ? 184 ALA B N   1 
ATOM   1500 C CA  . ALA A 1 178 ? -38.640 1.419   -19.493 1.00 16.63 ? 184 ALA B CA  1 
ATOM   1501 C C   . ALA A 1 178 ? -37.122 1.529   -19.651 1.00 16.85 ? 184 ALA B C   1 
ATOM   1502 O O   . ALA A 1 178 ? -36.681 1.787   -20.797 1.00 18.68 ? 184 ALA B O   1 
ATOM   1503 C CB  . ALA A 1 178 ? -39.274 2.809   -19.474 1.00 17.79 ? 184 ALA B CB  1 
ATOM   1504 N N   . ALA A 1 179 ? -36.362 1.391   -18.568 1.00 16.77 ? 185 ALA B N   1 
ATOM   1505 C CA  . ALA A 1 179 ? -34.913 1.705   -18.596 1.00 17.75 ? 185 ALA B CA  1 
ATOM   1506 C C   . ALA A 1 179 ? -34.203 0.801   -19.602 1.00 17.41 ? 185 ALA B C   1 
ATOM   1507 O O   . ALA A 1 179 ? -34.599 -0.355  -19.830 1.00 16.10 ? 185 ALA B O   1 
ATOM   1508 C CB  . ALA A 1 179 ? -34.293 1.617   -17.231 1.00 17.04 ? 185 ALA B CB  1 
ATOM   1509 N N   . PRO A 1 180 ? -33.133 1.332   -20.233 1.00 16.44 ? 186 PRO B N   1 
ATOM   1510 C CA  . PRO A 1 180 ? -32.369 0.596   -21.239 1.00 16.49 ? 186 PRO B CA  1 
ATOM   1511 C C   . PRO A 1 180 ? -31.443 -0.488  -20.657 1.00 15.89 ? 186 PRO B C   1 
ATOM   1512 O O   . PRO A 1 180 ? -31.131 -0.443  -19.466 1.00 16.07 ? 186 PRO B O   1 
ATOM   1513 C CB  . PRO A 1 180 ? -31.466 1.677   -21.858 1.00 17.66 ? 186 PRO B CB  1 
ATOM   1514 C CG  . PRO A 1 180 ? -31.266 2.673   -20.749 1.00 18.92 ? 186 PRO B CG  1 
ATOM   1515 C CD  . PRO A 1 180 ? -32.600 2.688   -20.016 1.00 18.07 ? 186 PRO B CD  1 
ATOM   1516 N N   . LEU A 1 181 ? -31.083 -1.466  -21.492 1.00 14.47 ? 187 LEU B N   1 
ATOM   1517 C CA  . LEU A 1 181 ? -29.833 -2.251  -21.337 1.00 14.00 ? 187 LEU B CA  1 
ATOM   1518 C C   . LEU A 1 181 ? -28.698 -1.418  -21.958 1.00 15.70 ? 187 LEU B C   1 
ATOM   1519 O O   . LEU A 1 181 ? -28.869 -0.934  -23.110 1.00 17.34 ? 187 LEU B O   1 
ATOM   1520 C CB  . LEU A 1 181 ? -29.986 -3.609  -22.006 1.00 15.74 ? 187 LEU B CB  1 
ATOM   1521 C CG  . LEU A 1 181 ? -31.005 -4.569  -21.385 1.00 15.64 ? 187 LEU B CG  1 
ATOM   1522 C CD1 . LEU A 1 181 ? -31.139 -5.840  -22.198 1.00 17.47 ? 187 LEU B CD1 1 
ATOM   1523 C CD2 . LEU A 1 181 ? -30.634 -4.917  -19.947 1.00 18.31 ? 187 LEU B CD2 1 
ATOM   1524 N N   . LYS A 1 182 ? -27.540 -1.369  -21.314 1.00 15.72 ? 188 LYS B N   1 
ATOM   1525 C CA  . LYS A 1 182 ? -26.380 -0.642  -21.878 1.00 16.08 ? 188 LYS B CA  1 
ATOM   1526 C C   . LYS A 1 182 ? -25.140 -1.517  -21.819 1.00 15.60 ? 188 LYS B C   1 
ATOM   1527 O O   . LYS A 1 182 ? -24.811 -2.003  -20.719 1.00 17.09 ? 188 LYS B O   1 
ATOM   1528 C CB  . LYS A 1 182 ? -26.091 0.649   -21.111 1.00 17.84 ? 188 LYS B CB  1 
ATOM   1529 C CG  . LYS A 1 182 ? -27.256 1.596   -20.895 1.00 21.82 ? 188 LYS B CG  1 
ATOM   1530 C CD  . LYS A 1 182 ? -26.819 2.929   -20.270 1.00 25.86 ? 188 LYS B CD  1 
ATOM   1531 C CE  . LYS A 1 182 ? -28.006 3.763   -19.826 1.00 32.06 ? 188 LYS B CE  1 
ATOM   1532 N NZ  . LYS A 1 182 ? -27.578 4.940   -19.031 1.00 35.36 ? 188 LYS B NZ  1 
ATOM   1533 N N   . LEU A 1 183 ? -24.422 -1.599  -22.912 1.00 16.29 ? 189 LEU B N   1 
ATOM   1534 C CA  . LEU A 1 183 ? -23.078 -2.236  -22.906 1.00 17.46 ? 189 LEU B CA  1 
ATOM   1535 C C   . LEU A 1 183 ? -22.094 -1.265  -22.257 1.00 19.87 ? 189 LEU B C   1 
ATOM   1536 O O   . LEU A 1 183 ? -21.950 -0.128  -22.771 1.00 21.15 ? 189 LEU B O   1 
ATOM   1537 C CB  . LEU A 1 183 ? -22.720 -2.627  -24.341 1.00 17.94 ? 189 LEU B CB  1 
ATOM   1538 C CG  . LEU A 1 183 ? -23.460 -3.886  -24.803 1.00 17.92 ? 189 LEU B CG  1 
ATOM   1539 C CD1 . LEU A 1 183 ? -23.611 -3.956  -26.315 1.00 22.68 ? 189 LEU B CD1 1 
ATOM   1540 C CD2 . LEU A 1 183 ? -22.802 -5.142  -24.226 1.00 17.73 ? 189 LEU B CD2 1 
ATOM   1541 N N   . CYS A 1 184 ? -21.474 -1.689  -21.145 1.00 22.10 ? 190 CYS B N   1 
ATOM   1542 C CA  . CYS A 1 184 ? -20.583 -0.829  -20.316 1.00 24.27 ? 190 CYS B CA  1 
ATOM   1543 C C   . CYS A 1 184 ? -19.204 -0.770  -20.940 1.00 28.01 ? 190 CYS B C   1 
ATOM   1544 O O   . CYS A 1 184 ? -18.715 -1.745  -21.475 1.00 27.12 ? 190 CYS B O   1 
ATOM   1545 C CB  . CYS A 1 184 ? -20.281 -1.382  -18.935 1.00 26.77 ? 190 CYS B CB  1 
ATOM   1546 S SG  . CYS A 1 184 ? -21.710 -2.032  -18.073 1.00 27.28 ? 190 CYS B SG  1 
ATOM   1547 N N   . PRO A 1 185 ? -18.528 0.387   -20.837 1.00 34.01 ? 191 PRO B N   1 
ATOM   1548 C CA  . PRO A 1 185 ? -17.208 0.540   -21.417 1.00 39.12 ? 191 PRO B CA  1 
ATOM   1549 C C   . PRO A 1 185 ? -16.203 -0.373  -20.712 1.00 37.19 ? 191 PRO B C   1 
ATOM   1550 O O   . PRO A 1 185 ? -16.379 -0.680  -19.534 1.00 38.22 ? 191 PRO B O   1 
ATOM   1551 C CB  . PRO A 1 185 ? -16.925 2.047   -21.257 1.00 39.29 ? 191 PRO B CB  1 
ATOM   1552 C CG  . PRO A 1 185 ? -17.789 2.470   -20.097 1.00 38.69 ? 191 PRO B CG  1 
ATOM   1553 C CD  . PRO A 1 185 ? -19.025 1.610   -20.192 1.00 36.49 ? 191 PRO B CD  1 
ATOM   1554 N N   . LEU A 1 186 ? -15.238 -0.817  -21.518 1.00 43.47 ? 192 LEU B N   1 
ATOM   1555 C CA  . LEU A 1 186 ? -13.978 -1.526  -21.179 1.00 45.45 ? 192 LEU B CA  1 
ATOM   1556 C C   . LEU A 1 186 ? -13.073 -0.592  -20.378 1.00 47.32 ? 192 LEU B C   1 
ATOM   1557 O O   . LEU A 1 186 ? -12.247 -1.154  -19.674 1.00 56.64 ? 192 LEU B O   1 
ATOM   1558 C CB  . LEU A 1 186 ? -13.296 -1.917  -22.495 1.00 41.62 ? 192 LEU B CB  1 
HETATM 1559 C C10 . T9Q B 2 .   ? -42.842 -7.635  -27.880 0.34 18.68 ? 201 T9Q B C10 1 
HETATM 1560 C C13 . T9Q B 2 .   ? -43.761 -5.383  -26.575 0.34 18.89 ? 201 T9Q B C13 1 
HETATM 1561 C C01 . T9Q B 2 .   ? -45.176 -1.356  -23.593 0.34 25.11 ? 201 T9Q B C01 1 
HETATM 1562 C C03 . T9Q B 2 .   ? -46.199 -3.515  -23.373 0.34 22.29 ? 201 T9Q B C03 1 
HETATM 1563 C C04 . T9Q B 2 .   ? -45.465 -4.804  -23.682 0.34 21.47 ? 201 T9Q B C04 1 
HETATM 1564 C C07 . T9Q B 2 .   ? -45.339 -6.759  -25.164 0.34 19.76 ? 201 T9Q B C07 1 
HETATM 1565 C C08 . T9Q B 2 .   ? -44.283 -6.623  -26.234 0.34 19.09 ? 201 T9Q B C08 1 
HETATM 1566 C C09 . T9Q B 2 .   ? -43.807 -7.748  -26.891 0.34 19.25 ? 201 T9Q B C09 1 
HETATM 1567 C C11 . T9Q B 2 .   ? -42.337 -6.399  -28.211 0.34 18.67 ? 201 T9Q B C11 1 
HETATM 1568 C C12 . T9Q B 2 .   ? -42.799 -5.276  -27.569 0.34 19.04 ? 201 T9Q B C12 1 
HETATM 1569 N N06 . T9Q B 2 .   ? -45.909 -5.488  -24.731 0.34 20.00 ? 201 T9Q B N06 1 
HETATM 1570 O O02 . T9Q B 2 .   ? -45.312 -2.561  -22.848 0.34 24.14 ? 201 T9Q B O02 1 
HETATM 1571 O O05 . T9Q B 2 .   ? -44.511 -5.144  -22.983 0.34 22.13 ? 201 T9Q B O05 1 
HETATM 1572 C C1  . EDO C 3 .   ? -50.434 -17.087 -33.269 1.00 42.23 ? 202 EDO B C1  1 
HETATM 1573 O O1  . EDO C 3 .   ? -49.155 -16.509 -33.343 1.00 34.19 ? 202 EDO B O1  1 
HETATM 1574 C C2  . EDO C 3 .   ? -51.020 -17.000 -31.924 1.00 41.46 ? 202 EDO B C2  1 
HETATM 1575 O O2  . EDO C 3 .   ? -51.415 -15.679 -31.636 1.00 48.52 ? 202 EDO B O2  1 
HETATM 1576 S S   . SO4 D 4 .   ? -40.476 -24.595 -26.314 1.00 43.62 ? 203 SO4 B S   1 
HETATM 1577 O O1  . SO4 D 4 .   ? -39.789 -23.630 -27.134 1.00 31.12 ? 203 SO4 B O1  1 
HETATM 1578 O O2  . SO4 D 4 .   ? -41.384 -25.350 -27.120 1.00 46.31 ? 203 SO4 B O2  1 
HETATM 1579 O O3  . SO4 D 4 .   ? -39.511 -25.492 -25.715 1.00 49.54 ? 203 SO4 B O3  1 
HETATM 1580 O O4  . SO4 D 4 .   ? -41.210 -23.935 -25.259 1.00 48.00 ? 203 SO4 B O4  1 
HETATM 1581 O O   . HOH E 5 .   ? -26.893 -28.467 -27.916 1.00 27.76 ? 301 HOH B O   1 
HETATM 1582 O O   . HOH E 5 .   ? -38.695 -15.254 -11.650 1.00 30.93 ? 302 HOH B O   1 
HETATM 1583 O O   . HOH E 5 .   ? -40.219 -1.220  -10.063 1.00 38.12 ? 303 HOH B O   1 
HETATM 1584 O O   . HOH E 5 .   ? -45.739 3.671   -34.327 1.00 25.79 ? 304 HOH B O   1 
HETATM 1585 O O   . HOH E 5 .   ? -42.813 1.114   -23.099 1.00 41.33 ? 305 HOH B O   1 
HETATM 1586 O O   . HOH E 5 .   ? -33.902 5.199   -17.090 1.00 53.68 ? 306 HOH B O   1 
HETATM 1587 O O   . HOH E 5 .   ? -38.606 0.597   -12.098 1.00 39.00 ? 307 HOH B O   1 
HETATM 1588 O O   . HOH E 5 .   ? -44.939 7.522   -24.676 1.00 47.38 ? 308 HOH B O   1 
HETATM 1589 O O   . HOH E 5 .   ? -13.512 -23.585 -31.625 1.00 18.72 ? 309 HOH B O   1 
HETATM 1590 O O   . HOH E 5 .   ? -36.300 5.322   -15.738 1.00 30.97 ? 310 HOH B O   1 
HETATM 1591 O O   . HOH E 5 .   ? -15.630 -5.303  -13.810 1.00 34.89 ? 311 HOH B O   1 
HETATM 1592 O O   . HOH E 5 .   ? -29.728 -12.650 -37.777 1.00 24.68 ? 312 HOH B O   1 
HETATM 1593 O O   . HOH E 5 .   ? -19.521 -29.741 -15.543 1.00 28.80 ? 313 HOH B O   1 
HETATM 1594 O O   . HOH E 5 .   ? -41.312 -8.026  -3.495  1.00 49.75 ? 314 HOH B O   1 
HETATM 1595 O O   . HOH E 5 .   ? -32.935 1.064   -33.677 1.00 24.21 ? 315 HOH B O   1 
HETATM 1596 O O   . HOH E 5 .   ? -21.108 -6.123  -2.150  1.00 49.84 ? 316 HOH B O   1 
HETATM 1597 O O   . HOH E 5 .   ? -45.482 0.027   -11.979 1.00 23.24 ? 317 HOH B O   1 
HETATM 1598 O O   . HOH E 5 .   ? -17.654 -21.299 -12.479 1.00 19.88 ? 318 HOH B O   1 
HETATM 1599 O O   . HOH E 5 .   ? -26.293 3.312   -35.386 1.00 38.63 ? 319 HOH B O   1 
HETATM 1600 O O   . HOH E 5 .   ? -18.700 -22.002 -35.881 1.00 20.28 ? 320 HOH B O   1 
HETATM 1601 O O   . HOH E 5 .   ? -35.860 -22.536 -19.592 1.00 27.71 ? 321 HOH B O   1 
HETATM 1602 O O   . HOH E 5 .   ? -12.679 -21.329 -18.806 1.00 30.23 ? 322 HOH B O   1 
HETATM 1603 O O   . HOH E 5 .   ? -36.908 -16.421 -39.372 1.00 31.06 ? 323 HOH B O   1 
HETATM 1604 O O   . HOH E 5 .   ? -11.082 -21.269 -25.221 1.00 32.69 ? 324 HOH B O   1 
HETATM 1605 O O   . HOH E 5 .   ? -36.845 -25.823 -23.735 1.00 37.02 ? 325 HOH B O   1 
HETATM 1606 O O   . HOH E 5 .   ? -24.448 -31.074 -22.039 1.00 40.39 ? 326 HOH B O   1 
HETATM 1607 O O   . HOH E 5 .   ? -30.785 1.070   -17.077 1.00 29.07 ? 327 HOH B O   1 
HETATM 1608 O O   . HOH E 5 .   ? -40.768 -14.411 -8.492  1.00 31.90 ? 328 HOH B O   1 
HETATM 1609 O O   . HOH E 5 .   ? -37.993 2.768   -22.882 1.00 24.85 ? 329 HOH B O   1 
HETATM 1610 O O   . HOH E 5 .   ? -16.205 -19.641 -15.711 1.00 27.90 ? 330 HOH B O   1 
HETATM 1611 O O   . HOH E 5 .   ? -30.888 -6.669  -11.375 1.00 18.52 ? 331 HOH B O   1 
HETATM 1612 O O   . HOH E 5 .   ? -24.018 1.155   -10.872 1.00 35.45 ? 332 HOH B O   1 
HETATM 1613 O O   . HOH E 5 .   ? -45.315 -12.188 -26.580 1.00 39.91 ? 333 HOH B O   1 
HETATM 1614 O O   . HOH E 5 .   ? -26.613 1.958   -11.159 1.00 30.94 ? 334 HOH B O   1 
HETATM 1615 O O   . HOH E 5 .   ? -25.985 -22.651 -36.004 1.00 31.32 ? 335 HOH B O   1 
HETATM 1616 O O   . HOH E 5 .   ? -38.738 -2.571  -21.439 1.00 18.95 ? 336 HOH B O   1 
HETATM 1617 O O   . HOH E 5 .   ? -23.278 4.393   -24.823 1.00 30.28 ? 337 HOH B O   1 
HETATM 1618 O O   . HOH E 5 .   ? -13.601 -20.992 -35.236 1.00 36.27 ? 338 HOH B O   1 
HETATM 1619 O O   . HOH E 5 .   ? -9.570  -20.669 -29.018 1.00 47.95 ? 339 HOH B O   1 
HETATM 1620 O O   . HOH E 5 .   ? -17.551 -27.622 -19.650 1.00 18.86 ? 340 HOH B O   1 
HETATM 1621 O O   . HOH E 5 .   ? -19.932 1.824   -30.608 1.00 36.62 ? 341 HOH B O   1 
HETATM 1622 O O   . HOH E 5 .   ? -26.547 -25.754 -16.366 1.00 18.92 ? 342 HOH B O   1 
HETATM 1623 O O   . HOH E 5 .   ? -32.880 -18.148 -37.242 1.00 37.85 ? 343 HOH B O   1 
HETATM 1624 O O   . HOH E 5 .   ? -38.602 -7.673  -10.832 1.00 19.16 ? 344 HOH B O   1 
HETATM 1625 O O   . HOH E 5 .   ? -30.847 -20.367 -21.355 1.00 14.66 ? 345 HOH B O   1 
HETATM 1626 O O   . HOH E 5 .   ? -37.359 -25.357 -11.307 1.00 46.60 ? 346 HOH B O   1 
HETATM 1627 O O   . HOH E 5 .   ? -27.220 -20.305 -6.974  1.00 20.03 ? 347 HOH B O   1 
HETATM 1628 O O   . HOH E 5 .   ? -47.180 -17.091 -31.566 1.00 22.51 ? 348 HOH B O   1 
HETATM 1629 O O   . HOH E 5 .   ? -30.251 -23.975 -34.070 1.00 24.75 ? 349 HOH B O   1 
HETATM 1630 O O   . HOH E 5 .   ? -9.003  -13.507 -25.256 1.00 37.49 ? 350 HOH B O   1 
HETATM 1631 O O   . HOH E 5 .   ? -45.799 -14.660 -27.646 1.00 40.30 ? 351 HOH B O   1 
HETATM 1632 O O   . HOH E 5 .   ? -16.768 -5.635  -9.455  1.00 36.78 ? 352 HOH B O   1 
HETATM 1633 O O   . HOH E 5 .   ? -34.159 -22.079 -31.391 1.00 20.52 ? 353 HOH B O   1 
HETATM 1634 O O   . HOH E 5 .   ? -32.303 4.678   -33.172 1.00 25.82 ? 354 HOH B O   1 
HETATM 1635 O O   . HOH E 5 .   ? -36.475 -22.974 -30.779 1.00 40.24 ? 355 HOH B O   1 
HETATM 1636 O O   . HOH E 5 .   ? -19.403 -4.332  -22.134 1.00 20.74 ? 356 HOH B O   1 
HETATM 1637 O O   . HOH E 5 .   ? -25.735 -14.182 -3.129  1.00 35.62 ? 357 HOH B O   1 
HETATM 1638 O O   . HOH E 5 .   ? -23.092 2.358   -23.141 1.00 33.31 ? 358 HOH B O   1 
HETATM 1639 O O   . HOH E 5 .   ? -18.548 -4.650  -24.777 1.00 19.75 ? 359 HOH B O   1 
HETATM 1640 O O   . HOH E 5 .   ? -28.396 -21.577 -8.933  1.00 21.12 ? 360 HOH B O   1 
HETATM 1641 O O   . HOH E 5 .   ? -26.755 -17.685 -7.779  1.00 21.02 ? 361 HOH B O   1 
HETATM 1642 O O   . HOH E 5 .   ? -36.320 -1.891  -33.939 1.00 22.36 ? 362 HOH B O   1 
HETATM 1643 O O   . HOH E 5 .   ? -42.343 -4.040  -39.503 1.00 26.78 ? 363 HOH B O   1 
HETATM 1644 O O   . HOH E 5 .   ? -17.959 -19.888 -37.570 1.00 32.95 ? 364 HOH B O   1 
HETATM 1645 O O   . HOH E 5 .   ? -15.014 -19.742 -37.588 1.00 29.48 ? 365 HOH B O   1 
HETATM 1646 O O   . HOH E 5 .   ? -49.934 -2.535  -19.487 1.00 41.79 ? 366 HOH B O   1 
HETATM 1647 O O   . HOH E 5 .   ? -10.262 -23.520 -21.872 1.00 30.87 ? 367 HOH B O   1 
HETATM 1648 O O   . HOH E 5 .   ? -35.619 -4.839  -42.285 1.00 24.34 ? 368 HOH B O   1 
HETATM 1649 O O   . HOH E 5 .   ? -42.566 -5.896  -12.352 1.00 24.45 ? 369 HOH B O   1 
HETATM 1650 O O   . HOH E 5 .   ? -20.965 -16.382 -5.572  1.00 18.99 ? 370 HOH B O   1 
HETATM 1651 O O   . HOH E 5 .   ? -40.409 -14.440 -31.364 1.00 17.36 ? 371 HOH B O   1 
HETATM 1652 O O   . HOH E 5 .   ? -24.056 -12.345 -6.616  1.00 19.65 ? 372 HOH B O   1 
HETATM 1653 O O   . HOH E 5 .   ? -37.842 -14.838 -21.243 1.00 38.88 ? 373 HOH B O   1 
HETATM 1654 O O   . HOH E 5 .   ? -32.365 -4.986  -13.004 1.00 16.84 ? 374 HOH B O   1 
HETATM 1655 O O   . HOH E 5 .   ? -18.007 -4.343  -5.792  1.00 46.20 ? 375 HOH B O   1 
HETATM 1656 O O   . HOH E 5 .   ? -9.517  -18.596 -30.167 1.00 53.14 ? 376 HOH B O   1 
HETATM 1657 O O   . HOH E 5 .   ? -9.468  -15.989 -26.590 1.00 30.50 ? 377 HOH B O   1 
HETATM 1658 O O   . HOH E 5 .   ? -41.193 -8.898  -19.432 1.00 25.06 ? 378 HOH B O   1 
HETATM 1659 O O   . HOH E 5 .   ? -14.548 -16.613 -33.116 1.00 32.02 ? 379 HOH B O   1 
HETATM 1660 O O   . HOH E 5 .   ? -41.146 -9.463  -36.727 1.00 36.17 ? 380 HOH B O   1 
HETATM 1661 O O   . HOH E 5 .   ? -25.370 -10.514 -23.681 1.00 15.18 ? 381 HOH B O   1 
HETATM 1662 O O   . HOH E 5 .   ? -25.779 -27.033 -23.951 1.00 19.48 ? 382 HOH B O   1 
HETATM 1663 O O   . HOH E 5 .   ? -19.189 -29.238 -23.473 1.00 27.35 ? 383 HOH B O   1 
HETATM 1664 O O   . HOH E 5 .   ? -41.182 -6.104  -38.059 1.00 34.86 ? 384 HOH B O   1 
HETATM 1665 O O   . HOH E 5 .   ? -38.611 3.854   -13.698 1.00 38.60 ? 385 HOH B O   1 
HETATM 1666 O O   . HOH E 5 .   ? -34.173 -21.889 -36.508 1.00 47.28 ? 386 HOH B O   1 
HETATM 1667 O O   . HOH E 5 .   ? -23.816 -21.092 -38.813 1.00 24.84 ? 387 HOH B O   1 
HETATM 1668 O O   . HOH E 5 .   ? -46.009 -4.267  -34.127 1.00 25.54 ? 388 HOH B O   1 
HETATM 1669 O O   . HOH E 5 .   ? -37.086 0.859   -15.618 1.00 20.17 ? 389 HOH B O   1 
HETATM 1670 O O   . HOH E 5 .   ? -36.422 -0.438  -42.210 1.00 41.57 ? 390 HOH B O   1 
HETATM 1671 O O   . HOH E 5 .   ? -41.375 -8.494  -13.450 1.00 25.11 ? 391 HOH B O   1 
HETATM 1672 O O   . HOH E 5 .   ? -45.869 -19.701 -31.582 1.00 30.94 ? 392 HOH B O   1 
HETATM 1673 O O   . HOH E 5 .   ? -18.407 -17.360 -36.426 1.00 29.68 ? 393 HOH B O   1 
HETATM 1674 O O   . HOH E 5 .   ? -33.393 -14.853 -7.005  1.00 23.16 ? 394 HOH B O   1 
HETATM 1675 O O   . HOH E 5 .   ? -28.857 7.732   -30.253 1.00 33.52 ? 395 HOH B O   1 
HETATM 1676 O O   . HOH E 5 .   ? -13.215 -6.210  -29.190 1.00 34.93 ? 396 HOH B O   1 
HETATM 1677 O O   . HOH E 5 .   ? -25.013 -11.066 -4.243  1.00 25.67 ? 397 HOH B O   1 
HETATM 1678 O O   . HOH E 5 .   ? -31.524 3.395   -26.988 1.00 25.70 ? 398 HOH B O   1 
HETATM 1679 O O   . HOH E 5 .   ? -18.110 -16.066 -6.172  1.00 24.60 ? 399 HOH B O   1 
HETATM 1680 O O   . HOH E 5 .   ? -16.023 -12.000 -5.635  1.00 47.92 ? 400 HOH B O   1 
HETATM 1681 O O   . HOH E 5 .   ? -24.456 -4.280  -36.856 1.00 43.14 ? 401 HOH B O   1 
HETATM 1682 O O   . HOH E 5 .   ? -24.906 -14.986 -6.876  1.00 18.04 ? 402 HOH B O   1 
HETATM 1683 O O   . HOH E 5 .   ? -33.512 -1.930  -38.478 1.00 26.72 ? 403 HOH B O   1 
HETATM 1684 O O   . HOH E 5 .   ? -35.798 -3.137  -10.085 1.00 54.03 ? 404 HOH B O   1 
HETATM 1685 O O   . HOH E 5 .   ? -34.283 -7.111  -7.970  1.00 31.68 ? 405 HOH B O   1 
HETATM 1686 O O   . HOH E 5 .   ? -41.274 5.435   -28.680 1.00 31.72 ? 406 HOH B O   1 
HETATM 1687 O O   . HOH E 5 .   ? -40.027 -11.291 -22.718 1.00 32.91 ? 407 HOH B O   1 
HETATM 1688 O O   . HOH E 5 .   ? -42.444 -5.240  -43.793 1.00 27.25 ? 408 HOH B O   1 
HETATM 1689 O O   . HOH E 5 .   ? -12.687 -18.542 -34.869 1.00 38.54 ? 409 HOH B O   1 
HETATM 1690 O O   . HOH E 5 .   ? -16.087 -14.703 -8.657  1.00 33.75 ? 410 HOH B O   1 
HETATM 1691 O O   . HOH E 5 .   ? -31.102 3.971   -24.459 1.00 26.64 ? 411 HOH B O   1 
HETATM 1692 O O   . HOH E 5 .   ? -40.457 -7.535  -34.753 1.00 24.43 ? 412 HOH B O   1 
HETATM 1693 O O   . HOH E 5 .   ? -39.882 2.686   -16.166 1.00 20.64 ? 413 HOH B O   1 
HETATM 1694 O O   . HOH E 5 .   ? -17.879 -11.116 -35.575 1.00 27.87 ? 414 HOH B O   1 
HETATM 1695 O O   . HOH E 5 .   ? -36.571 -1.025  -22.178 1.00 15.50 ? 415 HOH B O   1 
HETATM 1696 O O   . HOH E 5 .   ? -43.209 3.616   -18.854 1.00 25.31 ? 416 HOH B O   1 
HETATM 1697 O O   . HOH E 5 .   ? -34.714 -8.976  -6.103  1.00 44.37 ? 417 HOH B O   1 
HETATM 1698 O O   . HOH E 5 .   ? -25.254 6.922   -29.095 1.00 32.16 ? 418 HOH B O   1 
HETATM 1699 O O   . HOH E 5 .   ? -27.778 -28.079 -25.583 1.00 38.11 ? 419 HOH B O   1 
HETATM 1700 O O   . HOH E 5 .   ? -52.825 -14.022 -29.207 1.00 48.69 ? 420 HOH B O   1 
HETATM 1701 O O   . HOH E 5 .   ? -41.035 6.407   -33.197 1.00 35.41 ? 421 HOH B O   1 
HETATM 1702 O O   . HOH E 5 .   ? -30.672 -17.432 -42.873 1.00 38.75 ? 422 HOH B O   1 
HETATM 1703 O O   . HOH E 5 .   ? -19.774 2.427   -24.080 1.00 41.54 ? 423 HOH B O   1 
HETATM 1704 O O   . HOH E 5 .   ? -16.129 -7.397  -11.389 1.00 31.68 ? 424 HOH B O   1 
HETATM 1705 O O   . HOH E 5 .   ? -32.689 -23.600 -33.389 1.00 37.30 ? 425 HOH B O   1 
HETATM 1706 O O   . HOH E 5 .   ? -36.687 -6.627  -8.948  1.00 32.16 ? 426 HOH B O   1 
HETATM 1707 O O   . HOH E 5 .   ? -47.756 0.000   -33.072 0.50 25.67 ? 427 HOH B O   1 
HETATM 1708 O O   . HOH E 5 .   ? -36.660 1.860   -42.368 1.00 52.24 ? 428 HOH B O   1 
HETATM 1709 O O   . HOH E 5 .   ? -21.879 6.939   -32.391 1.00 38.59 ? 429 HOH B O   1 
HETATM 1710 O O   . HOH E 5 .   ? -26.232 -28.341 -21.426 1.00 40.80 ? 430 HOH B O   1 
HETATM 1711 O O   . HOH E 5 .   ? -41.697 -9.926  -43.919 1.00 36.77 ? 431 HOH B O   1 
HETATM 1712 O O   . HOH E 5 .   ? -8.295  -23.329 -30.192 1.00 34.75 ? 432 HOH B O   1 
HETATM 1713 O O   . HOH E 5 .   ? -22.908 3.288   -20.758 1.00 40.09 ? 433 HOH B O   1 
HETATM 1714 O O   . HOH E 5 .   ? -38.816 -16.467 -40.879 1.00 44.45 ? 434 HOH B O   1 
HETATM 1715 O O   . HOH E 5 .   ? -16.022 -22.203 -14.599 1.00 34.14 ? 435 HOH B O   1 
HETATM 1716 O O   . HOH E 5 .   ? -40.066 5.180   -22.020 1.00 37.39 ? 436 HOH B O   1 
HETATM 1717 O O   . HOH E 5 .   ? -28.347 -27.726 -16.803 1.00 27.08 ? 437 HOH B O   1 
HETATM 1718 O O   . HOH E 5 .   ? -26.356 -31.260 -23.979 1.00 32.16 ? 438 HOH B O   1 
HETATM 1719 O O   . HOH E 5 .   ? -16.049 -26.968 -17.137 1.00 37.87 ? 439 HOH B O   1 
HETATM 1720 O O   . HOH E 5 .   ? -42.107 -13.196 -22.509 1.00 49.27 ? 440 HOH B O   1 
# 
