data_7HMM
# 
_entry.id   7HMM 
# 
_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   7HMM         pdb_00007hmm 10.2210/pdb7hmm/pdb 
WWPDB D_1001407664 ?            ?                   
# 
_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                        7HMM 
_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-methyl-4-sulfamoylbenzamide        214.242   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    144 ?        ? ? ? 
# 
_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-methyl-4-sulfamoylbenzamide W0Y 
3 1,2-ETHANEDIOL                EDO 
4 'SULFATE ION'                 SO4 
5 water                         HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   HIS n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   MET n 
1 9   VAL n 
1 10  HIS n 
1 11  ILE n 
1 12  THR n 
1 13  LEU n 
1 14  ASP n 
1 15  ARG n 
1 16  ASN n 
1 17  THR n 
1 18  ALA n 
1 19  ASN n 
1 20  SER n 
1 21  TRP n 
1 22  LEU n 
1 23  ILE n 
1 24  ILE n 
1 25  SER n 
1 26  LYS n 
1 27  ASP n 
1 28  ARG n 
1 29  ARG n 
1 30  GLN n 
1 31  VAL n 
1 32  ARG n 
1 33  MET n 
1 34  GLY n 
1 35  ASP n 
1 36  THR n 
1 37  HIS n 
1 38  GLN n 
1 39  ASN n 
1 40  VAL n 
1 41  SER n 
1 42  ASP n 
1 43  ASN n 
1 44  LYS n 
1 45  GLU n 
1 46  ARG n 
1 47  PHE n 
1 48  SER n 
1 49  ASN n 
1 50  TYR n 
1 51  PRO n 
1 52  MET n 
1 53  VAL n 
1 54  LEU n 
1 55  GLY n 
1 56  ALA n 
1 57  GLN n 
1 58  ARG n 
1 59  PHE n 
1 60  SER n 
1 61  SER n 
1 62  GLY n 
1 63  LYS n 
1 64  MET n 
1 65  TYR n 
1 66  TRP n 
1 67  GLU n 
1 68  VAL n 
1 69  ASP n 
1 70  VAL n 
1 71  THR n 
1 72  GLN n 
1 73  LYS n 
1 74  GLU n 
1 75  ALA n 
1 76  TRP n 
1 77  ASP n 
1 78  LEU n 
1 79  GLY n 
1 80  VAL n 
1 81  CYS n 
1 82  ARG n 
1 83  ASP n 
1 84  SER n 
1 85  VAL n 
1 86  GLN n 
1 87  ARG n 
1 88  LYS n 
1 89  GLY n 
1 90  GLN n 
1 91  PHE n 
1 92  SER n 
1 93  LEU n 
1 94  SER n 
1 95  PRO n 
1 96  GLU n 
1 97  ASN n 
1 98  GLY n 
1 99  PHE n 
1 100 TRP n 
1 101 THR n 
1 102 ILE n 
1 103 TRP n 
1 104 LEU n 
1 105 TRP n 
1 106 GLN n 
1 107 ASP n 
1 108 SER n 
1 109 TYR n 
1 110 GLU n 
1 111 ALA n 
1 112 GLY n 
1 113 THR n 
1 114 SER n 
1 115 PRO n 
1 116 GLN n 
1 117 THR n 
1 118 THR n 
1 119 LEU n 
1 120 HIS n 
1 121 ILE n 
1 122 GLN n 
1 123 VAL n 
1 124 PRO n 
1 125 PRO n 
1 126 CYS n 
1 127 GLN n 
1 128 ILE n 
1 129 GLY n 
1 130 ILE n 
1 131 PHE n 
1 132 VAL n 
1 133 ASP n 
1 134 TYR n 
1 135 GLU n 
1 136 ALA n 
1 137 GLY n 
1 138 VAL n 
1 139 VAL n 
1 140 SER n 
1 141 PHE n 
1 142 TYR n 
1 143 ASN n 
1 144 ILE n 
1 145 THR n 
1 146 ASP n 
1 147 HIS n 
1 148 GLY n 
1 149 SER n 
1 150 LEU n 
1 151 ILE n 
1 152 TYR n 
1 153 THR n 
1 154 PHE n 
1 155 SER n 
1 156 GLU n 
1 157 CYS n 
1 158 VAL n 
1 159 PHE n 
1 160 ALA n 
1 161 GLY n 
1 162 PRO n 
1 163 LEU n 
1 164 ARG n 
1 165 PRO n 
1 166 PHE n 
1 167 PHE n 
1 168 ASN n 
1 169 VAL n 
1 170 GLY n 
1 171 PHE n 
1 172 ASN n 
1 173 TYR n 
1 174 SER n 
1 175 GLY n 
1 176 GLY n 
1 177 ASN n 
1 178 ALA n 
1 179 ALA n 
1 180 PRO n 
1 181 LEU n 
1 182 LYS n 
1 183 LEU n 
1 184 CYS n 
1 185 PRO n 
1 186 LEU n 
1 187 LYS n 
1 188 MET n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   188 
_entity_src_gen.gene_src_common_name               'house mouse' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'Trim21, Ro52, Ssa1' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE                       ?                 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE                      ?                 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE                    ?                 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'               ?                 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE                      ?                 'C3 H7 N O2 S'   121.158 
EDO non-polymer         . 1,2-ETHANEDIOL                'ETHYLENE GLYCOL' 'C2 H6 O2'       62.068  
GLN 'L-peptide linking' y GLUTAMINE                     ?                 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'               ?                 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE                       ?                 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE                     ?                 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER                         ?                 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE                    ?                 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE                       ?                 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE                        ?                 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE                    ?                 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE                 ?                 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE                       ?                 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE                        ?                 'C3 H7 N O3'     105.093 
SO4 non-polymer         . 'SULFATE ION'                 ?                 'O4 S -2'        96.063  
THR 'L-peptide linking' y THREONINE                     ?                 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                    ?                 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE                      ?                 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE                        ?                 'C5 H11 N O2'    117.146 
W0Y non-polymer         . N-methyl-4-sulfamoylbenzamide ?                 'C8 H10 N2 O3 S' 214.242 
# 
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        W0Y 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   W0Y 
_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 W0Y 1   201 302 W0Y LIG B . 
C 3 EDO 1   202 305 EDO EDO B . 
D 4 SO4 1   203 1   SO4 SO4 B . 
E 5 HOH 1   301 29  HOH HOH B . 
E 5 HOH 2   302 107 HOH HOH B . 
E 5 HOH 3   303 2   HOH HOH B . 
E 5 HOH 4   304 12  HOH HOH B . 
E 5 HOH 5   305 9   HOH HOH B . 
E 5 HOH 6   306 11  HOH HOH B . 
E 5 HOH 7   307 51  HOH HOH B . 
E 5 HOH 8   308 99  HOH HOH B . 
E 5 HOH 9   309 40  HOH HOH B . 
E 5 HOH 10  310 63  HOH HOH B . 
E 5 HOH 11  311 133 HOH HOH B . 
E 5 HOH 12  312 33  HOH HOH B . 
E 5 HOH 13  313 1   HOH HOH B . 
E 5 HOH 14  314 21  HOH HOH B . 
E 5 HOH 15  315 26  HOH HOH B . 
E 5 HOH 16  316 16  HOH HOH B . 
E 5 HOH 17  317 184 HOH HOH B . 
E 5 HOH 18  318 129 HOH HOH B . 
E 5 HOH 19  319 27  HOH HOH B . 
E 5 HOH 20  320 90  HOH HOH B . 
E 5 HOH 21  321 25  HOH HOH B . 
E 5 HOH 22  322 16  HOH HOH B . 
E 5 HOH 23  323 102 HOH HOH B . 
E 5 HOH 24  324 95  HOH HOH B . 
E 5 HOH 25  325 100 HOH HOH B . 
E 5 HOH 26  326 31  HOH HOH B . 
E 5 HOH 27  327 5   HOH HOH B . 
E 5 HOH 28  328 11  HOH HOH B . 
E 5 HOH 29  329 10  HOH HOH B . 
E 5 HOH 30  330 4   HOH HOH B . 
E 5 HOH 31  331 34  HOH HOH B . 
E 5 HOH 32  332 18  HOH HOH B . 
E 5 HOH 33  333 39  HOH HOH B . 
E 5 HOH 34  334 2   HOH HOH B . 
E 5 HOH 35  335 55  HOH HOH B . 
E 5 HOH 36  336 27  HOH HOH B . 
E 5 HOH 37  337 19  HOH HOH B . 
E 5 HOH 38  338 68  HOH HOH B . 
E 5 HOH 39  339 7   HOH HOH B . 
E 5 HOH 40  340 36  HOH HOH B . 
E 5 HOH 41  341 80  HOH HOH B . 
E 5 HOH 42  342 58  HOH HOH B . 
E 5 HOH 43  343 22  HOH HOH B . 
E 5 HOH 44  344 62  HOH HOH B . 
E 5 HOH 45  345 26  HOH HOH B . 
E 5 HOH 46  346 70  HOH HOH B . 
E 5 HOH 47  347 43  HOH HOH B . 
E 5 HOH 48  348 29  HOH HOH B . 
E 5 HOH 49  349 20  HOH HOH B . 
E 5 HOH 50  350 126 HOH HOH B . 
E 5 HOH 51  351 66  HOH HOH B . 
E 5 HOH 52  352 86  HOH HOH B . 
E 5 HOH 53  353 157 HOH HOH B . 
E 5 HOH 54  354 72  HOH HOH B . 
E 5 HOH 55  355 89  HOH HOH B . 
E 5 HOH 56  356 50  HOH HOH B . 
E 5 HOH 57  357 267 HOH HOH B . 
E 5 HOH 58  358 10  HOH HOH B . 
E 5 HOH 59  359 73  HOH HOH B . 
E 5 HOH 60  360 33  HOH HOH B . 
E 5 HOH 61  361 6   HOH HOH B . 
E 5 HOH 62  362 76  HOH HOH B . 
E 5 HOH 63  363 32  HOH HOH B . 
E 5 HOH 64  364 211 HOH HOH B . 
E 5 HOH 65  365 137 HOH HOH B . 
E 5 HOH 66  366 61  HOH HOH B . 
E 5 HOH 67  367 1   HOH HOH B . 
E 5 HOH 68  368 81  HOH HOH B . 
E 5 HOH 69  369 47  HOH HOH B . 
E 5 HOH 70  370 263 HOH HOH B . 
E 5 HOH 71  371 4   HOH HOH B . 
E 5 HOH 72  372 172 HOH HOH B . 
E 5 HOH 73  373 304 HOH HOH B . 
E 5 HOH 74  374 71  HOH HOH B . 
E 5 HOH 75  375 15  HOH HOH B . 
E 5 HOH 76  376 32  HOH HOH B . 
E 5 HOH 77  377 8   HOH HOH B . 
E 5 HOH 78  378 59  HOH HOH B . 
E 5 HOH 79  379 24  HOH HOH B . 
E 5 HOH 80  380 156 HOH HOH B . 
E 5 HOH 81  381 28  HOH HOH B . 
E 5 HOH 82  382 60  HOH HOH B . 
E 5 HOH 83  383 3   HOH HOH B . 
E 5 HOH 84  384 25  HOH HOH B . 
E 5 HOH 85  385 14  HOH HOH B . 
E 5 HOH 86  386 214 HOH HOH B . 
E 5 HOH 87  387 85  HOH HOH B . 
E 5 HOH 88  388 23  HOH HOH B . 
E 5 HOH 89  389 3   HOH HOH B . 
E 5 HOH 90  390 97  HOH HOH B . 
E 5 HOH 91  391 154 HOH HOH B . 
E 5 HOH 92  392 303 HOH HOH B . 
E 5 HOH 93  393 30  HOH HOH B . 
E 5 HOH 94  394 64  HOH HOH B . 
E 5 HOH 95  395 281 HOH HOH B . 
E 5 HOH 96  396 8   HOH HOH B . 
E 5 HOH 97  397 46  HOH HOH B . 
E 5 HOH 98  398 42  HOH HOH B . 
E 5 HOH 99  399 13  HOH HOH B . 
E 5 HOH 100 400 48  HOH HOH B . 
E 5 HOH 101 401 12  HOH HOH B . 
E 5 HOH 102 402 49  HOH HOH B . 
E 5 HOH 103 403 45  HOH HOH B . 
E 5 HOH 104 404 197 HOH HOH B . 
E 5 HOH 105 405 93  HOH HOH B . 
E 5 HOH 106 406 20  HOH HOH B . 
E 5 HOH 107 407 56  HOH HOH B . 
E 5 HOH 108 408 17  HOH HOH B . 
E 5 HOH 109 409 7   HOH HOH B . 
E 5 HOH 110 410 120 HOH HOH B . 
E 5 HOH 111 411 125 HOH HOH B . 
E 5 HOH 112 412 15  HOH HOH B . 
E 5 HOH 113 413 114 HOH HOH B . 
E 5 HOH 114 414 257 HOH HOH B . 
E 5 HOH 115 415 69  HOH HOH B . 
E 5 HOH 116 416 82  HOH HOH B . 
E 5 HOH 117 417 57  HOH HOH B . 
E 5 HOH 118 418 41  HOH HOH B . 
E 5 HOH 119 419 53  HOH HOH B . 
E 5 HOH 120 420 54  HOH HOH B . 
E 5 HOH 121 421 38  HOH HOH B . 
E 5 HOH 122 422 44  HOH HOH B . 
E 5 HOH 123 423 22  HOH HOH B . 
E 5 HOH 124 424 140 HOH HOH B . 
E 5 HOH 125 425 5   HOH HOH B . 
E 5 HOH 126 426 103 HOH HOH B . 
E 5 HOH 127 427 112 HOH HOH B . 
E 5 HOH 128 428 18  HOH HOH B . 
E 5 HOH 129 429 19  HOH HOH B . 
E 5 HOH 130 430 30  HOH HOH B . 
E 5 HOH 131 431 266 HOH HOH B . 
E 5 HOH 132 432 115 HOH HOH B . 
E 5 HOH 133 433 21  HOH HOH B . 
E 5 HOH 134 434 23  HOH HOH B . 
E 5 HOH 135 435 98  HOH HOH B . 
E 5 HOH 136 436 13  HOH HOH B . 
E 5 HOH 137 437 104 HOH HOH B . 
E 5 HOH 138 438 166 HOH HOH B . 
E 5 HOH 139 439 205 HOH HOH B . 
E 5 HOH 140 440 127 HOH HOH B . 
E 5 HOH 141 441 14  HOH HOH B . 
E 5 HOH 142 442 131 HOH HOH B . 
E 5 HOH 143 443 270 HOH HOH B . 
E 5 HOH 144 444 259 HOH HOH B . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 B LEU 192 ? CG  ? A LEU 186 CG  
2 1 Y 1 B LEU 192 ? CD1 ? A LEU 186 CD1 
3 1 Y 1 B LEU 192 ? CD2 ? A LEU 186 CD2 
# 
loop_
_software.pdbx_ordinal 
_software.name 
_software.version 
_software.date 
_software.type 
_software.contact_author 
_software.contact_author_email 
_software.classification 
_software.location 
_software.language 
_software.citation_id 
1 REFMAC      5.8.0267 ?               program 'Garib N. Murshudov' garib@ysbl.york.ac.uk    refinement        
http://www.ccp4.ac.uk/dist/html/refmac5.html        Fortran_77 ? 
2 Aimless     0.7.7    23/04/21        program 'Phil Evans'         ?                        'data scaling'    
http://www.mrc-lmb.cam.ac.uk/harry/pre/aimless.html ?          ? 
3 PDB_EXTRACT 3.23     'SEP. 23, 2016' package PDB                  deposit@deposit.rcsb.org 'data extraction' 
http://sw-tools.pdb.org/apps/PDB_EXTRACT/           C++        ? 
4 XDS         .        ?               program ?                    ?                        'data reduction'  ? ?          ? 
5 REFMAC      .        ?               program ?                    ?                        phasing           ? ?          ? 
# 
_cell.entry_id           7HMM 
_cell.length_a           95.548 
_cell.length_b           95.548 
_cell.length_c           45.794 
_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                         7HMM 
_symmetry.space_group_name_H-M             'I 4' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                79 
# 
_exptl.crystals_number   1 
_exptl.entry_id          7HMM 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.42 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   49.17 
_exptl_crystal.size_max              ? 
_exptl_crystal.size_mid              ? 
_exptl_crystal.size_min              ? 
_exptl_crystal.size_rad              ? 
_exptl_crystal.description           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.pH              8 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.pdbx_details    '4 % PEG 400, 2 M AmmSO4, 0.1 M HEPES pH 8' 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           100 
_diffrn.crystal_id             1 
_diffrn.ambient_temp_details   ? 
# 
_diffrn_detector.detector               PIXEL 
_diffrn_detector.type                   'DECTRIS EIGER2 XE 9M' 
_diffrn_detector.pdbx_collection_date   2024-05-24 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.92124 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'DIAMOND BEAMLINE I04-1' 
_diffrn_source.pdbx_wavelength_list        0.92124 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HMM 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             67.550 
_reflns.d_resolution_high            1.280 
_reflns.number_obs                   52550 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         98.700 
_reflns.pdbx_Rmerge_I_obs            0.071 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        16.900 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              10.900 
_reflns.pdbx_Rrim_I_all              0.074 
_reflns.pdbx_Rpim_I_all              0.021 
_reflns.pdbx_CC_half                 0.999 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     571923 
_reflns.pdbx_scaling_rejects         0 
_reflns.pdbx_chi_squared             ? 
_reflns.Rmerge_F_all                 ? 
_reflns.Rmerge_F_obs                 ? 
_reflns.observed_criterion_F_max     ? 
_reflns.observed_criterion_F_min     ? 
_reflns.observed_criterion_I_max     ? 
_reflns.observed_criterion_I_min     ? 
_reflns.pdbx_d_res_high_opt          ? 
_reflns.pdbx_d_res_low_opt           ? 
_reflns.details                      ? 
# 
loop_
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_ordinal 
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.number_measured_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_unique_obs 
_reflns_shell.pdbx_rejects 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_redundancy 
_reflns_shell.percent_possible_obs 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.Rmerge_I_all 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.percent_possible_all 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_CC_half 
1 1 1.280 1.300  ? 7725 2255 ? 1.283 ? ? ? 3.400  ? 0.500  ? ? ? ? ? ? 86.600 1.530 0.811 0.289 
1 2 7.010 67.550 ? 4394 357  ? 0.045 ? ? ? 12.300 ? 93.200 ? ? ? ? ? ? 99.900 0.048 0.014 0.995 
# 
_refine.entry_id                                 7HMM 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.2800 
_refine.ls_d_res_low                             67.5600 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    98.3500 
_refine.ls_number_reflns_obs                     49892 
_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                          0.1817 
_refine.ls_R_factor_R_work                       0.1808 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.1985 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.9000 
_refine.ls_number_reflns_R_free                  2551 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               17.4860 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.1300 
_refine.aniso_B[2][2]                            0.1300 
_refine.aniso_B[3][3]                            -0.2700 
_refine.aniso_B[1][2]                            -0.0000 
_refine.aniso_B[1][3]                            -0.0000 
_refine.aniso_B[2][3]                            0.0000 
_refine.correlation_coeff_Fo_to_Fc               0.9690 
_refine.correlation_coeff_Fo_to_Fc_free          0.9630 
_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                       0.0520 
_refine.pdbx_overall_ESU_R_Free                  0.0520 
_refine.overall_SU_ML                            0.0430 
_refine.overall_SU_B                             1.0940 
_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                                95.420 
_refine.B_iso_min                                8.420 
_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                       1.2800 
_refine_hist.d_res_low                        67.5600 
_refine_hist.pdbx_number_atoms_ligand         23 
_refine_hist.number_atoms_solvent             144 
_refine_hist.number_atoms_total               1660 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           40.02 
_refine_hist.pdbx_B_iso_mean_solvent          28.38 
_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       2130 0.013  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1665 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2628 1.837  1.639  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3839 1.457  1.582  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 247  7.676  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 115  27.698 21.217 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 297  12.129 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   20.863 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         231  0.092  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2350 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     520  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            1011 1.613  1.549  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         1005 1.605  1.535  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1183 2.659  2.309  ? ? 
# 
_refine_ls_shell.d_res_high                       1.2800 
_refine_ls_shell.d_res_low                        1.3130 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               84.2700 
_refine_ls_shell.number_reflns_R_work             3091 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3480 
_refine_ls_shell.R_factor_R_free                  0.3600 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             204 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                3295 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HMM 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z165170770' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HMM 
_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              7HMM 
_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 7HMM MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HMM HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HMM HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HMM HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HMM HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HMM HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HMM HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HMM MET B 8 ? UNP Q62191 ? ? 'expression tag'        14 8 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 4  ? MET A 8  ? HIS B 10  MET B 14  5 ? 5 
HELX_P HELX_P2 AA2 ASP A 14 ? ALA A 18 ? ASP B 20  ALA B 24  5 ? 5 
HELX_P HELX_P3 AA3 SER A 94 ? ASN A 97 ? SER B 100 ASN B 103 5 ? 4 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           114 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            120 
_struct_mon_prot_cis.auth_asym_id           B 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    115 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     121 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    B 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -1.03 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 7 ? 
AA2 ? 6 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 LEU A 22  ? ILE A 24  ? LEU B 28  ILE B 30  
AA1 2 GLN A 30  ? MET A 33  ? GLN B 36  MET B 39  
AA1 3 LEU A 181 ? LEU A 183 ? LEU B 187 LEU B 189 
AA1 4 LYS A 63  ? ASP A 69  ? LYS B 69  ASP B 75  
AA1 5 GLN A 127 ? ASP A 133 ? GLN B 133 ASP B 139 
AA1 6 VAL A 138 ? ASN A 143 ? VAL B 144 ASN B 149 
AA1 7 SER A 149 ? PHE A 154 ? SER B 155 PHE B 160 
AA2 1 MET A 52  ? LEU A 54  ? MET B 58  LEU B 60  
AA2 2 LEU A 163 ? ASN A 168 ? LEU B 169 ASN B 174 
AA2 3 TRP A 76  ? ARG A 82  ? TRP B 82  ARG B 88  
AA2 4 PHE A 99  ? TRP A 105 ? PHE B 105 TRP B 111 
AA2 5 SER A 108 ? ALA A 111 ? SER B 114 ALA B 117 
AA2 6 THR A 117 ? THR A 118 ? THR B 123 THR B 124 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N ILE A 23  ? N ILE B 29  O ARG A 32  ? O ARG B 38  
AA1 2 3 N VAL A 31  ? N VAL B 37  O LEU A 181 ? O LEU B 187 
AA1 3 4 O LYS A 182 ? O LYS B 188 N ASP A 69  ? N ASP B 75  
AA1 4 5 N TRP A 66  ? N TRP B 72  O ILE A 130 ? O ILE B 136 
AA1 5 6 N PHE A 131 ? N PHE B 137 O SER A 140 ? O SER B 146 
AA1 6 7 N PHE A 141 ? N PHE B 147 O ILE A 151 ? O ILE B 157 
AA2 1 2 N VAL A 53  ? N VAL B 59  O PHE A 167 ? O PHE B 173 
AA2 2 3 O ARG A 164 ? O ARG B 170 N CYS A 81  ? N CYS B 87  
AA2 3 4 N VAL A 80  ? N VAL B 86  O TRP A 100 ? O TRP B 106 
AA2 4 5 N TRP A 105 ? N TRP B 111 O SER A 108 ? O SER B 114 
AA2 5 6 N ALA A 111 ? N ALA B 117 O THR A 117 ? O THR B 123 
# 
_pdbx_entry_details.entry_id                   7HMM 
_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                126.78 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            14.98 
_pdbx_validate_rmsd_angle.angle_standard_deviation   2.10 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASN B 45  ? ? 77.49   37.43 
2 1 ASP B 152 ? ? -105.57 51.60 
# 
_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     413 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   E 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
_phasing.method   MR 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 B MET 7   ? A MET 1   
2 1 Y 1 B LYS 193 ? A LYS 187 
3 1 Y 1 B MET 194 ? A MET 188 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
EDO C1   C N N 88  
EDO O1   O N N 89  
EDO C2   C N N 90  
EDO O2   O N N 91  
EDO H11  H N N 92  
EDO H12  H N N 93  
EDO HO1  H N N 94  
EDO H21  H N N 95  
EDO H22  H N N 96  
EDO HO2  H N N 97  
GLN N    N N N 98  
GLN CA   C N S 99  
GLN C    C N N 100 
GLN O    O N N 101 
GLN CB   C N N 102 
GLN CG   C N N 103 
GLN CD   C N N 104 
GLN OE1  O N N 105 
GLN NE2  N N N 106 
GLN OXT  O N N 107 
GLN H    H N N 108 
GLN H2   H N N 109 
GLN HA   H N N 110 
GLN HB2  H N N 111 
GLN HB3  H N N 112 
GLN HG2  H N N 113 
GLN HG3  H N N 114 
GLN HE21 H N N 115 
GLN HE22 H N N 116 
GLN HXT  H N N 117 
GLU N    N N N 118 
GLU CA   C N S 119 
GLU C    C N N 120 
GLU O    O N N 121 
GLU CB   C N N 122 
GLU CG   C N N 123 
GLU CD   C N N 124 
GLU OE1  O N N 125 
GLU OE2  O N N 126 
GLU OXT  O N N 127 
GLU H    H N N 128 
GLU H2   H N N 129 
GLU HA   H N N 130 
GLU HB2  H N N 131 
GLU HB3  H N N 132 
GLU HG2  H N N 133 
GLU HG3  H N N 134 
GLU HE2  H N N 135 
GLU HXT  H N N 136 
GLY N    N N N 137 
GLY CA   C N N 138 
GLY C    C N N 139 
GLY O    O N N 140 
GLY OXT  O N N 141 
GLY H    H N N 142 
GLY H2   H N N 143 
GLY HA2  H N N 144 
GLY HA3  H N N 145 
GLY HXT  H N N 146 
HIS N    N N N 147 
HIS CA   C N S 148 
HIS C    C N N 149 
HIS O    O N N 150 
HIS CB   C N N 151 
HIS CG   C Y N 152 
HIS ND1  N Y N 153 
HIS CD2  C Y N 154 
HIS CE1  C Y N 155 
HIS NE2  N Y N 156 
HIS OXT  O N N 157 
HIS H    H N N 158 
HIS H2   H N N 159 
HIS HA   H N N 160 
HIS HB2  H N N 161 
HIS HB3  H N N 162 
HIS HD1  H N N 163 
HIS HD2  H N N 164 
HIS HE1  H N N 165 
HIS HE2  H N N 166 
HIS HXT  H N N 167 
HOH O    O N N 168 
HOH H1   H N N 169 
HOH H2   H N N 170 
ILE N    N N N 171 
ILE CA   C N S 172 
ILE C    C N N 173 
ILE O    O N N 174 
ILE CB   C N S 175 
ILE CG1  C N N 176 
ILE CG2  C N N 177 
ILE CD1  C N N 178 
ILE OXT  O N N 179 
ILE H    H N N 180 
ILE H2   H N N 181 
ILE HA   H N N 182 
ILE HB   H N N 183 
ILE HG12 H N N 184 
ILE HG13 H N N 185 
ILE HG21 H N N 186 
ILE HG22 H N N 187 
ILE HG23 H N N 188 
ILE HD11 H N N 189 
ILE HD12 H N N 190 
ILE HD13 H N N 191 
ILE HXT  H N N 192 
LEU N    N N N 193 
LEU CA   C N S 194 
LEU C    C N N 195 
LEU O    O N N 196 
LEU CB   C N N 197 
LEU CG   C N N 198 
LEU CD1  C N N 199 
LEU CD2  C N N 200 
LEU OXT  O N N 201 
LEU H    H N N 202 
LEU H2   H N N 203 
LEU HA   H N N 204 
LEU HB2  H N N 205 
LEU HB3  H N N 206 
LEU HG   H N N 207 
LEU HD11 H N N 208 
LEU HD12 H N N 209 
LEU HD13 H N N 210 
LEU HD21 H N N 211 
LEU HD22 H N N 212 
LEU HD23 H N N 213 
LEU HXT  H N N 214 
LYS N    N N N 215 
LYS CA   C N S 216 
LYS C    C N N 217 
LYS O    O N N 218 
LYS CB   C N N 219 
LYS CG   C N N 220 
LYS CD   C N N 221 
LYS CE   C N N 222 
LYS NZ   N N N 223 
LYS OXT  O N N 224 
LYS H    H N N 225 
LYS H2   H N N 226 
LYS HA   H N N 227 
LYS HB2  H N N 228 
LYS HB3  H N N 229 
LYS HG2  H N N 230 
LYS HG3  H N N 231 
LYS HD2  H N N 232 
LYS HD3  H N N 233 
LYS HE2  H N N 234 
LYS HE3  H N N 235 
LYS HZ1  H N N 236 
LYS HZ2  H N N 237 
LYS HZ3  H N N 238 
LYS HXT  H N N 239 
MET N    N N N 240 
MET CA   C N S 241 
MET C    C N N 242 
MET O    O N N 243 
MET CB   C N N 244 
MET CG   C N N 245 
MET SD   S N N 246 
MET CE   C N N 247 
MET OXT  O N N 248 
MET H    H N N 249 
MET H2   H N N 250 
MET HA   H N N 251 
MET HB2  H N N 252 
MET HB3  H N N 253 
MET HG2  H N N 254 
MET HG3  H N N 255 
MET HE1  H N N 256 
MET HE2  H N N 257 
MET HE3  H N N 258 
MET HXT  H N N 259 
PHE N    N N N 260 
PHE CA   C N S 261 
PHE C    C N N 262 
PHE O    O N N 263 
PHE CB   C N N 264 
PHE CG   C Y N 265 
PHE CD1  C Y N 266 
PHE CD2  C Y N 267 
PHE CE1  C Y N 268 
PHE CE2  C Y N 269 
PHE CZ   C Y N 270 
PHE OXT  O N N 271 
PHE H    H N N 272 
PHE H2   H N N 273 
PHE HA   H N N 274 
PHE HB2  H N N 275 
PHE HB3  H N N 276 
PHE HD1  H N N 277 
PHE HD2  H N N 278 
PHE HE1  H N N 279 
PHE HE2  H N N 280 
PHE HZ   H N N 281 
PHE HXT  H N N 282 
PRO N    N N N 283 
PRO CA   C N S 284 
PRO C    C N N 285 
PRO O    O N N 286 
PRO CB   C N N 287 
PRO CG   C N N 288 
PRO CD   C N N 289 
PRO OXT  O N N 290 
PRO H    H N N 291 
PRO HA   H N N 292 
PRO HB2  H N N 293 
PRO HB3  H N N 294 
PRO HG2  H N N 295 
PRO HG3  H N N 296 
PRO HD2  H N N 297 
PRO HD3  H N N 298 
PRO HXT  H N N 299 
SER N    N N N 300 
SER CA   C N S 301 
SER C    C N N 302 
SER O    O N N 303 
SER CB   C N N 304 
SER OG   O N N 305 
SER OXT  O N N 306 
SER H    H N N 307 
SER H2   H N N 308 
SER HA   H N N 309 
SER HB2  H N N 310 
SER HB3  H N N 311 
SER HG   H N N 312 
SER HXT  H N N 313 
SO4 S    S N N 314 
SO4 O1   O N N 315 
SO4 O2   O N N 316 
SO4 O3   O N N 317 
SO4 O4   O N N 318 
THR N    N N N 319 
THR CA   C N S 320 
THR C    C N N 321 
THR O    O N N 322 
THR CB   C N R 323 
THR OG1  O N N 324 
THR CG2  C N N 325 
THR OXT  O N N 326 
THR H    H N N 327 
THR H2   H N N 328 
THR HA   H N N 329 
THR HB   H N N 330 
THR HG1  H N N 331 
THR HG21 H N N 332 
THR HG22 H N N 333 
THR HG23 H N N 334 
THR HXT  H N N 335 
TRP N    N N N 336 
TRP CA   C N S 337 
TRP C    C N N 338 
TRP O    O N N 339 
TRP CB   C N N 340 
TRP CG   C Y N 341 
TRP CD1  C Y N 342 
TRP CD2  C Y N 343 
TRP NE1  N Y N 344 
TRP CE2  C Y N 345 
TRP CE3  C Y N 346 
TRP CZ2  C Y N 347 
TRP CZ3  C Y N 348 
TRP CH2  C Y N 349 
TRP OXT  O N N 350 
TRP H    H N N 351 
TRP H2   H N N 352 
TRP HA   H N N 353 
TRP HB2  H N N 354 
TRP HB3  H N N 355 
TRP HD1  H N N 356 
TRP HE1  H N N 357 
TRP HE3  H N N 358 
TRP HZ2  H N N 359 
TRP HZ3  H N N 360 
TRP HH2  H N N 361 
TRP HXT  H N N 362 
TYR N    N N N 363 
TYR CA   C N S 364 
TYR C    C N N 365 
TYR O    O N N 366 
TYR CB   C N N 367 
TYR CG   C Y N 368 
TYR CD1  C Y N 369 
TYR CD2  C Y N 370 
TYR CE1  C Y N 371 
TYR CE2  C Y N 372 
TYR CZ   C Y N 373 
TYR OH   O N N 374 
TYR OXT  O N N 375 
TYR H    H N N 376 
TYR H2   H N N 377 
TYR HA   H N N 378 
TYR HB2  H N N 379 
TYR HB3  H N N 380 
TYR HD1  H N N 381 
TYR HD2  H N N 382 
TYR HE1  H N N 383 
TYR HE2  H N N 384 
TYR HH   H N N 385 
TYR HXT  H N N 386 
VAL N    N N N 387 
VAL CA   C N S 388 
VAL C    C N N 389 
VAL O    O N N 390 
VAL CB   C N N 391 
VAL CG1  C N N 392 
VAL CG2  C N N 393 
VAL OXT  O N N 394 
VAL H    H N N 395 
VAL H2   H N N 396 
VAL HA   H N N 397 
VAL HB   H N N 398 
VAL HG11 H N N 399 
VAL HG12 H N N 400 
VAL HG13 H N N 401 
VAL HG21 H N N 402 
VAL HG22 H N N 403 
VAL HG23 H N N 404 
VAL HXT  H N N 405 
W0Y N1   N N N 406 
W0Y C4   C Y N 407 
W0Y C5   C Y N 408 
W0Y C6   C Y N 409 
W0Y C7   C Y N 410 
W0Y O2   O N N 411 
W0Y S    S N N 412 
W0Y O1   O N N 413 
W0Y C3   C Y N 414 
W0Y C2   C Y N 415 
W0Y C1   C N N 416 
W0Y O    O N N 417 
W0Y N    N N N 418 
W0Y C    C N N 419 
W0Y H1   H N N 420 
W0Y H2   H N N 421 
W0Y H3   H N N 422 
W0Y H4   H N N 423 
W0Y H5   H N N 424 
W0Y H6   H N N 425 
W0Y H7   H N N 426 
W0Y H8   H N N 427 
W0Y H9   H N N 428 
W0Y H10  H N N 429 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
EDO C1  O1   sing N N 83  
EDO C1  C2   sing N N 84  
EDO C1  H11  sing N N 85  
EDO C1  H12  sing N N 86  
EDO O1  HO1  sing N N 87  
EDO C2  O2   sing N N 88  
EDO C2  H21  sing N N 89  
EDO C2  H22  sing N N 90  
EDO O2  HO2  sing N N 91  
GLN N   CA   sing N N 92  
GLN N   H    sing N N 93  
GLN N   H2   sing N N 94  
GLN CA  C    sing N N 95  
GLN CA  CB   sing N N 96  
GLN CA  HA   sing N N 97  
GLN C   O    doub N N 98  
GLN C   OXT  sing N N 99  
GLN CB  CG   sing N N 100 
GLN CB  HB2  sing N N 101 
GLN CB  HB3  sing N N 102 
GLN CG  CD   sing N N 103 
GLN CG  HG2  sing N N 104 
GLN CG  HG3  sing N N 105 
GLN CD  OE1  doub N N 106 
GLN CD  NE2  sing N N 107 
GLN NE2 HE21 sing N N 108 
GLN NE2 HE22 sing N N 109 
GLN OXT HXT  sing N N 110 
GLU N   CA   sing N N 111 
GLU N   H    sing N N 112 
GLU N   H2   sing N N 113 
GLU CA  C    sing N N 114 
GLU CA  CB   sing N N 115 
GLU CA  HA   sing N N 116 
GLU C   O    doub N N 117 
GLU C   OXT  sing N N 118 
GLU CB  CG   sing N N 119 
GLU CB  HB2  sing N N 120 
GLU CB  HB3  sing N N 121 
GLU CG  CD   sing N N 122 
GLU CG  HG2  sing N N 123 
GLU CG  HG3  sing N N 124 
GLU CD  OE1  doub N N 125 
GLU CD  OE2  sing N N 126 
GLU OE2 HE2  sing N N 127 
GLU OXT HXT  sing N N 128 
GLY N   CA   sing N N 129 
GLY N   H    sing N N 130 
GLY N   H2   sing N N 131 
GLY CA  C    sing N N 132 
GLY CA  HA2  sing N N 133 
GLY CA  HA3  sing N N 134 
GLY C   O    doub N N 135 
GLY C   OXT  sing N N 136 
GLY OXT HXT  sing N N 137 
HIS N   CA   sing N N 138 
HIS N   H    sing N N 139 
HIS N   H2   sing N N 140 
HIS CA  C    sing N N 141 
HIS CA  CB   sing N N 142 
HIS CA  HA   sing N N 143 
HIS C   O    doub N N 144 
HIS C   OXT  sing N N 145 
HIS CB  CG   sing N N 146 
HIS CB  HB2  sing N N 147 
HIS CB  HB3  sing N N 148 
HIS CG  ND1  sing Y N 149 
HIS CG  CD2  doub Y N 150 
HIS ND1 CE1  doub Y N 151 
HIS ND1 HD1  sing N N 152 
HIS CD2 NE2  sing Y N 153 
HIS CD2 HD2  sing N N 154 
HIS CE1 NE2  sing Y N 155 
HIS CE1 HE1  sing N N 156 
HIS NE2 HE2  sing N N 157 
HIS OXT HXT  sing N N 158 
HOH O   H1   sing N N 159 
HOH O   H2   sing N N 160 
ILE N   CA   sing N N 161 
ILE N   H    sing N N 162 
ILE N   H2   sing N N 163 
ILE CA  C    sing N N 164 
ILE CA  CB   sing N N 165 
ILE CA  HA   sing N N 166 
ILE C   O    doub N N 167 
ILE C   OXT  sing N N 168 
ILE CB  CG1  sing N N 169 
ILE CB  CG2  sing N N 170 
ILE CB  HB   sing N N 171 
ILE CG1 CD1  sing N N 172 
ILE CG1 HG12 sing N N 173 
ILE CG1 HG13 sing N N 174 
ILE CG2 HG21 sing N N 175 
ILE CG2 HG22 sing N N 176 
ILE CG2 HG23 sing N N 177 
ILE CD1 HD11 sing N N 178 
ILE CD1 HD12 sing N N 179 
ILE CD1 HD13 sing N N 180 
ILE OXT HXT  sing N N 181 
LEU N   CA   sing N N 182 
LEU N   H    sing N N 183 
LEU N   H2   sing N N 184 
LEU CA  C    sing N N 185 
LEU CA  CB   sing N N 186 
LEU CA  HA   sing N N 187 
LEU C   O    doub N N 188 
LEU C   OXT  sing N N 189 
LEU CB  CG   sing N N 190 
LEU CB  HB2  sing N N 191 
LEU CB  HB3  sing N N 192 
LEU CG  CD1  sing N N 193 
LEU CG  CD2  sing N N 194 
LEU CG  HG   sing N N 195 
LEU CD1 HD11 sing N N 196 
LEU CD1 HD12 sing N N 197 
LEU CD1 HD13 sing N N 198 
LEU CD2 HD21 sing N N 199 
LEU CD2 HD22 sing N N 200 
LEU CD2 HD23 sing N N 201 
LEU OXT HXT  sing N N 202 
LYS N   CA   sing N N 203 
LYS N   H    sing N N 204 
LYS N   H2   sing N N 205 
LYS CA  C    sing N N 206 
LYS CA  CB   sing N N 207 
LYS CA  HA   sing N N 208 
LYS C   O    doub N N 209 
LYS C   OXT  sing N N 210 
LYS CB  CG   sing N N 211 
LYS CB  HB2  sing N N 212 
LYS CB  HB3  sing N N 213 
LYS CG  CD   sing N N 214 
LYS CG  HG2  sing N N 215 
LYS CG  HG3  sing N N 216 
LYS CD  CE   sing N N 217 
LYS CD  HD2  sing N N 218 
LYS CD  HD3  sing N N 219 
LYS CE  NZ   sing N N 220 
LYS CE  HE2  sing N N 221 
LYS CE  HE3  sing N N 222 
LYS NZ  HZ1  sing N N 223 
LYS NZ  HZ2  sing N N 224 
LYS NZ  HZ3  sing N N 225 
LYS OXT HXT  sing N N 226 
MET N   CA   sing N N 227 
MET N   H    sing N N 228 
MET N   H2   sing N N 229 
MET CA  C    sing N N 230 
MET CA  CB   sing N N 231 
MET CA  HA   sing N N 232 
MET C   O    doub N N 233 
MET C   OXT  sing N N 234 
MET CB  CG   sing N N 235 
MET CB  HB2  sing N N 236 
MET CB  HB3  sing N N 237 
MET CG  SD   sing N N 238 
MET CG  HG2  sing N N 239 
MET CG  HG3  sing N N 240 
MET SD  CE   sing N N 241 
MET CE  HE1  sing N N 242 
MET CE  HE2  sing N N 243 
MET CE  HE3  sing N N 244 
MET OXT HXT  sing N N 245 
PHE N   CA   sing N N 246 
PHE N   H    sing N N 247 
PHE N   H2   sing N N 248 
PHE CA  C    sing N N 249 
PHE CA  CB   sing N N 250 
PHE CA  HA   sing N N 251 
PHE C   O    doub N N 252 
PHE C   OXT  sing N N 253 
PHE CB  CG   sing N N 254 
PHE CB  HB2  sing N N 255 
PHE CB  HB3  sing N N 256 
PHE CG  CD1  doub Y N 257 
PHE CG  CD2  sing Y N 258 
PHE CD1 CE1  sing Y N 259 
PHE CD1 HD1  sing N N 260 
PHE CD2 CE2  doub Y N 261 
PHE CD2 HD2  sing N N 262 
PHE CE1 CZ   doub Y N 263 
PHE CE1 HE1  sing N N 264 
PHE CE2 CZ   sing Y N 265 
PHE CE2 HE2  sing N N 266 
PHE CZ  HZ   sing N N 267 
PHE OXT HXT  sing N N 268 
PRO N   CA   sing N N 269 
PRO N   CD   sing N N 270 
PRO N   H    sing N N 271 
PRO CA  C    sing N N 272 
PRO CA  CB   sing N N 273 
PRO CA  HA   sing N N 274 
PRO C   O    doub N N 275 
PRO C   OXT  sing N N 276 
PRO CB  CG   sing N N 277 
PRO CB  HB2  sing N N 278 
PRO CB  HB3  sing N N 279 
PRO CG  CD   sing N N 280 
PRO CG  HG2  sing N N 281 
PRO CG  HG3  sing N N 282 
PRO CD  HD2  sing N N 283 
PRO CD  HD3  sing N N 284 
PRO OXT HXT  sing N N 285 
SER N   CA   sing N N 286 
SER N   H    sing N N 287 
SER N   H2   sing N N 288 
SER CA  C    sing N N 289 
SER CA  CB   sing N N 290 
SER CA  HA   sing N N 291 
SER C   O    doub N N 292 
SER C   OXT  sing N N 293 
SER CB  OG   sing N N 294 
SER CB  HB2  sing N N 295 
SER CB  HB3  sing N N 296 
SER OG  HG   sing N N 297 
SER OXT HXT  sing N N 298 
SO4 S   O1   doub N N 299 
SO4 S   O2   doub N N 300 
SO4 S   O3   sing N N 301 
SO4 S   O4   sing N N 302 
THR N   CA   sing N N 303 
THR N   H    sing N N 304 
THR N   H2   sing N N 305 
THR CA  C    sing N N 306 
THR CA  CB   sing N N 307 
THR CA  HA   sing N N 308 
THR C   O    doub N N 309 
THR C   OXT  sing N N 310 
THR CB  OG1  sing N N 311 
THR CB  CG2  sing N N 312 
THR CB  HB   sing N N 313 
THR OG1 HG1  sing N N 314 
THR CG2 HG21 sing N N 315 
THR CG2 HG22 sing N N 316 
THR CG2 HG23 sing N N 317 
THR OXT HXT  sing N N 318 
TRP N   CA   sing N N 319 
TRP N   H    sing N N 320 
TRP N   H2   sing N N 321 
TRP CA  C    sing N N 322 
TRP CA  CB   sing N N 323 
TRP CA  HA   sing N N 324 
TRP C   O    doub N N 325 
TRP C   OXT  sing N N 326 
TRP CB  CG   sing N N 327 
TRP CB  HB2  sing N N 328 
TRP CB  HB3  sing N N 329 
TRP CG  CD1  doub Y N 330 
TRP CG  CD2  sing Y N 331 
TRP CD1 NE1  sing Y N 332 
TRP CD1 HD1  sing N N 333 
TRP CD2 CE2  doub Y N 334 
TRP CD2 CE3  sing Y N 335 
TRP NE1 CE2  sing Y N 336 
TRP NE1 HE1  sing N N 337 
TRP CE2 CZ2  sing Y N 338 
TRP CE3 CZ3  doub Y N 339 
TRP CE3 HE3  sing N N 340 
TRP CZ2 CH2  doub Y N 341 
TRP CZ2 HZ2  sing N N 342 
TRP CZ3 CH2  sing Y N 343 
TRP CZ3 HZ3  sing N N 344 
TRP CH2 HH2  sing N N 345 
TRP OXT HXT  sing N N 346 
TYR N   CA   sing N N 347 
TYR N   H    sing N N 348 
TYR N   H2   sing N N 349 
TYR CA  C    sing N N 350 
TYR CA  CB   sing N N 351 
TYR CA  HA   sing N N 352 
TYR C   O    doub N N 353 
TYR C   OXT  sing N N 354 
TYR CB  CG   sing N N 355 
TYR CB  HB2  sing N N 356 
TYR CB  HB3  sing N N 357 
TYR CG  CD1  doub Y N 358 
TYR CG  CD2  sing Y N 359 
TYR CD1 CE1  sing Y N 360 
TYR CD1 HD1  sing N N 361 
TYR CD2 CE2  doub Y N 362 
TYR CD2 HD2  sing N N 363 
TYR CE1 CZ   doub Y N 364 
TYR CE1 HE1  sing N N 365 
TYR CE2 CZ   sing Y N 366 
TYR CE2 HE2  sing N N 367 
TYR CZ  OH   sing N N 368 
TYR OH  HH   sing N N 369 
TYR OXT HXT  sing N N 370 
VAL N   CA   sing N N 371 
VAL N   H    sing N N 372 
VAL N   H2   sing N N 373 
VAL CA  C    sing N N 374 
VAL CA  CB   sing N N 375 
VAL CA  HA   sing N N 376 
VAL C   O    doub N N 377 
VAL C   OXT  sing N N 378 
VAL CB  CG1  sing N N 379 
VAL CB  CG2  sing N N 380 
VAL CB  HB   sing N N 381 
VAL CG1 HG11 sing N N 382 
VAL CG1 HG12 sing N N 383 
VAL CG1 HG13 sing N N 384 
VAL CG2 HG21 sing N N 385 
VAL CG2 HG22 sing N N 386 
VAL CG2 HG23 sing N N 387 
VAL OXT HXT  sing N N 388 
W0Y O2  S    doub N N 389 
W0Y O1  S    doub N N 390 
W0Y S   N1   sing N N 391 
W0Y S   C5   sing N N 392 
W0Y C4  C5   doub Y N 393 
W0Y C4  C3   sing Y N 394 
W0Y C5  C6   sing Y N 395 
W0Y C3  C2   doub Y N 396 
W0Y C6  C7   doub Y N 397 
W0Y C2  C7   sing Y N 398 
W0Y C2  C1   sing N N 399 
W0Y O   C1   doub N N 400 
W0Y C1  N    sing N N 401 
W0Y N   C    sing N N 402 
W0Y N1  H1   sing N N 403 
W0Y N1  H2   sing N N 404 
W0Y C4  H3   sing N N 405 
W0Y C6  H4   sing N N 406 
W0Y C7  H5   sing N N 407 
W0Y C3  H6   sing N N 408 
W0Y N   H7   sing N N 409 
W0Y C   H8   sing N N 410 
W0Y C   H9   sing N N 411 
W0Y C   H10  sing N N 412 
# 
_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                    7HMM 
_atom_sites.fract_transf_matrix[1][1]   0.010466 
_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]   0.010466 
_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]   0.021837 
_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   ? -13.106 -13.154 -10.098 1.00 91.88 ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.695 -13.626 -11.460 1.00 84.51 ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.643 -12.674 -12.050 1.00 84.96 ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.663 -11.468 -11.702 1.00 90.03 ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -13.924 -13.779 -12.376 1.00 77.05 ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.547 -12.490 -12.808 1.00 71.30 ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -14.136 -11.811 -13.942 1.00 69.08 ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.554 -11.760 -12.279 1.00 67.61 ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.850 -10.714 -14.080 1.00 68.14 ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.732 -10.660 -13.079 1.00 65.84 ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -10.775 -13.202 -12.919 1.00 82.21 ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.740  -12.452 -13.685 1.00 79.62 ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -10.021 -12.589 -15.191 1.00 68.31 ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -9.057  -12.811 -15.954 1.00 67.50 ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.337  -12.926 -13.259 1.00 85.80 ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -8.095  -12.817 -11.786 1.00 92.82 ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -7.947  -11.596 -11.145 1.00 93.83 ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -7.991  -13.760 -10.824 1.00 95.42 ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -7.755  -11.794 -9.856  1.00 93.50 ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -7.775  -13.114 -9.633  1.00 95.06 ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.297 -12.445 -15.591 1.00 56.04 ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.821 -12.623 -16.979 1.00 45.20 ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.821 -11.285 -17.728 1.00 43.03 ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.888 -11.311 -18.976 1.00 37.46 ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.240 -13.221 -16.957 1.00 40.82 ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.310 -14.605 -16.401 1.00 39.54 ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.385 -15.600 -16.729 1.00 38.25 ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.186 -15.177 -15.551 1.00 38.12 ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.702 -16.717 -16.107 1.00 43.85 ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.806 -16.486 -15.386 1.00 41.80 ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.736 -10.166 -16.993 1.00 44.77 ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.777 -8.770  -17.521 1.00 50.76 ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.857 -8.600  -18.746 1.00 48.27 ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.253 -7.839  -19.665 1.00 46.56 ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.419 -7.736  -16.435 1.00 59.98 ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -12.188 -7.867  -15.162 1.00 73.85 ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.622 -8.395  -14.007 1.00 86.45 ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.461 -7.539  -14.844 1.00 81.02 ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.519 -8.392  -13.037 1.00 87.59 ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.657 -7.870  -13.525 1.00 85.70 ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.691  -9.274  -18.780 1.00 44.98 ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.650  -9.132  -19.841 1.00 43.04 ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -9.039  -9.826  -21.157 1.00 38.79 ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.299  -9.646  -22.131 1.00 39.87 ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.279  -9.614  -19.340 1.00 52.55 ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.130  -11.092 -19.206 1.00 54.46 ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.572  -11.877 -20.201 1.00 62.87 ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.423  -11.929 -18.187 1.00 60.30 ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.543  -13.136 -19.805 1.00 57.07 ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.058  -13.196 -18.574 1.00 61.39 ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.128 -10.611 -21.201 1.00 29.49 ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.744 -11.141 -22.456 1.00 25.49 ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.880 -10.234 -22.905 1.00 23.34 ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.748 -10.708 -23.651 1.00 19.41 ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.273 -12.554 -22.245 1.00 23.78 ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.191 -13.487 -21.816 1.00 25.26 ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.158  -13.823 -22.673 1.00 25.53 ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -10.008 -14.153 -20.659 1.00 27.25 ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.346  -14.659 -22.035 1.00 25.24 ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -8.832  -14.879 -20.799 1.00 29.18 ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -11.900 -9.003  -22.419 1.00 23.20 ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -12.961 -8.015  -22.722 1.00 26.38 ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -13.074 -7.847  -24.239 1.00 24.36 ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -12.038 -7.755  -24.958 1.00 27.29 ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.641 -6.668  -22.067 1.00 31.83 ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.654 -5.559  -22.357 1.00 39.45 ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.276 -5.762  -21.528 1.00 49.46 ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -14.894 -5.172  -19.881 1.00 38.51 ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.304 -7.810  -24.745 1.00 19.58 ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.620 -7.610  -26.182 1.00 21.01 ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.609 -6.431  -26.262 1.00 20.97 ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.457 -6.253  -25.337 1.00 20.78 ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.147 -8.876  -26.886 1.00 21.82 ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -14.042 -9.921  -26.999 1.00 24.08 ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.362 -9.492  -26.206 1.00 22.54 ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.541 -5.666  -27.352 1.00 20.97 ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.427 -4.506  -27.603 1.00 20.26 ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.657 -5.025  -28.347 1.00 20.34 ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.573 -5.398  -29.527 1.00 23.84 ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.706 -3.412  -28.393 1.00 21.13 ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.486 -2.154  -28.613 1.00 27.17 ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.604 -1.181  -27.641 1.00 31.21 ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.171 -1.708  -29.696 1.00 31.28 ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.329 -0.170  -28.110 1.00 28.08 ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.715 -0.484  -29.376 1.00 32.22 ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.764 -5.131  -27.634 1.00 15.71 ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -20.006 -5.639  -28.248 1.00 17.10 ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.840 -4.451  -28.764 1.00 16.30 ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.874 -3.428  -28.110 1.00 16.56 ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.791 -6.464  -27.212 1.00 16.05 ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -19.970 -7.671  -26.728 1.00 16.69 ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.133 -6.884  -27.789 1.00 15.70 ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.442 -8.597  -27.833 1.00 16.65 ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.436 -4.639  -29.925 1.00 15.17 ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.438 -3.674  -30.458 1.00 16.18 ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.685 -4.444  -30.862 1.00 15.77 ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.645 -5.663  -31.124 1.00 17.25 ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.864 -2.865  -31.626 1.00 18.97 ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.502 -3.747  -32.660 1.00 19.94 ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.698 -1.967  -31.241 1.00 20.86 ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.827 -3.747  -30.809 1.00 14.28 ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -26.120 -4.381  -31.117 1.00 15.03 ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.400 -4.367  -32.615 1.00 13.90 ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -26.091 -3.318  -33.276 1.00 16.29 ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.192 -3.631  -30.350 1.00 14.78 ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -26.992 -3.687  -28.839 1.00 15.77 ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -27.932 -2.763  -28.067 1.00 17.22 ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -27.101 -5.130  -28.333 1.00 17.12 ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -27.015 -5.392  -33.109 1.00 13.61 ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.395 -5.560  -34.538 1.00 14.20 ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -28.891 -5.170  -34.699 1.00 15.12 ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.773 -5.978  -34.401 1.00 14.20 ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -27.090 -6.970  -35.065 1.00 14.45 ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.421 -7.238  -36.522 1.00 20.63 ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -28.078 -6.360  -37.105 1.00 18.81 ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -27.145 -8.358  -37.032 1.00 18.92 ? 20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -29.121 -3.927  -35.152 0.25 16.25 ? 21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -29.146 -3.939  -35.158 0.25 16.54 ? 21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.450 -3.312  -35.457 0.25 17.66 ? 21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.513 -3.368  -35.335 0.25 17.89 ? 21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.372 -4.254  -36.231 0.25 16.74 ? 21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.391 -4.240  -36.245 0.25 16.77 ? 21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.619 -4.188  -36.033 0.25 17.30 ? 21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.641 -4.140  -36.131 0.25 16.14 ? 21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.286 -2.096  -36.381 0.25 18.88 ? 21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.437 -1.968  -35.964 0.25 20.33 ? 21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.300 -1.052  -35.888 0.25 21.03 ? 21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.869 -0.887  -35.060 0.25 22.68 ? 21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.396 0.264   -36.648 0.25 20.96 ? 21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.448 -0.493  -35.433 0.25 26.08 ? 21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -28.859 1.312   -35.802 0.25 20.71 ? 21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -28.330 0.575   -36.432 0.25 28.06 ? 21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.554 1.858   -34.829 0.25 19.61 ? 21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -27.915 0.419   -37.690 0.25 30.89 ? 21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.807 1.484   -34.664 0.25 20.89 ? 21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -27.577 -0.770  -38.156 0.25 32.29 ? 21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -29.024 2.779   -34.053 0.25 20.98 ? 21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -27.845 1.467   -38.489 0.25 33.04 ? 21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.799 -5.023  -37.161 1.00 16.46 ? 22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.582 -5.849  -38.093 1.00 17.58 ? 22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.251 -7.017  -37.394 1.00 16.07 ? 22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.229 -7.513  -37.899 1.00 15.78 ? 22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.717 -6.252  -39.287 1.00 21.48 ? 22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.505 -5.083  -40.230 1.00 27.74 ? 22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -31.261 -4.102  -40.230 1.00 35.08 ? 22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.448 -5.171  -41.016 1.00 38.25 ? 22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.708 -7.446  -36.231 1.00 13.65 ? 23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.244 -8.567  -35.456 1.00 13.52 ? 23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.268 -8.086  -34.428 1.00 12.43 ? 23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -33.944 -8.936  -33.833 1.00 12.67 ? 23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -31.146 -9.358  -34.720 1.00 13.30 ? 23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.579 -8.550  -33.678 1.00 13.43 ? 23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -30.123 -9.891  -35.716 1.00 13.94 ? 23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.374 -6.778  -34.212 1.00 12.58 ? 24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -34.189 -6.235  -33.100 1.00 12.45 ? 24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.671 -6.448  -33.363 1.00 12.99 ? 24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -36.160 -6.167  -34.474 1.00 13.56 ? 24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -33.886 -4.786  -32.906 1.00 12.84 ? 24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.423 -6.771  -32.333 1.00 12.72 ? 25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -37.889 -6.568  -32.334 1.00 12.38 ? 25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -38.161 -5.133  -32.806 1.00 12.36 ? 25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.442 -4.186  -32.458 1.00 11.86 ? 25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.398 -6.902  -30.943 1.00 12.89 ? 25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -39.877 -6.657  -30.844 1.00 14.74 ? 25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.320 -5.533  -30.650 1.00 14.87 ? 25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.616 -7.718  -30.955 1.00 20.24 ? 25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.229 -4.964  -33.569 1.00 12.61 ? 26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.583 -3.683  -34.217 1.00 13.24 ? 26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -39.984 -2.609  -33.216 1.00 13.12 ? 26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -40.076 -1.463  -33.671 1.00 13.62 ? 26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.684 -3.896  -35.224 1.00 14.73 ? 26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.824 -4.390  -34.555 1.00 18.16 ? 26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -40.164 -2.882  -31.937 1.00 11.87 ? 27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.455 -1.838  -30.926 1.00 12.18 ? 27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.202 -1.336  -30.231 1.00 13.19 ? 27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.325 -0.422  -29.436 1.00 13.37 ? 27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.434 -2.370  -29.920 1.00 13.16 ? 27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.829 -2.473  -30.477 1.00 14.84 ? 27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.228 -3.018  -31.666 1.00 16.16 ? 27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -44.011 -2.000  -29.826 1.00 16.48 ? 27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.602 -2.919  -31.789 1.00 18.83 ? 27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -45.098 -2.341  -30.662 1.00 17.35 ? 27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -44.253 -1.346  -28.613 1.00 17.83 ? 27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.416 -2.015  -30.314 1.00 20.61 ? 27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.559 -1.015  -28.281 1.00 20.49 ? 27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.617 -1.410  -29.095 1.00 22.12 ? 27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -38.035 -1.940  -30.530 1.00 12.29 ? 28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.821 -1.520  -29.802 1.00 12.73 ? 28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.209 -0.281  -30.451 1.00 12.58 ? 28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.211 -0.123  -31.662 1.00 13.04 ? 28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.806 -2.664  -29.781 1.00 11.31 ? 28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.243 -3.929  -29.044 1.00 12.92 ? 28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -35.134 -4.974  -29.033 1.00 12.90 ? 28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.669 -3.632  -27.653 1.00 14.02 ? 28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.569 0.491   -29.596 1.00 11.72 ? 29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.775 1.683   -29.983 1.00 13.53 ? 29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.335 1.456   -29.547 1.00 13.72 ? 29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -33.068 1.384   -28.323 1.00 14.15 ? 29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.327 2.948   -29.382 1.00 14.09 ? 29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.801 3.222   -29.783 1.00 15.51 ? 29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.435 4.146   -29.789 1.00 15.58 ? 29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.435 4.304   -29.038 1.00 17.47 ? 29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.491 1.319   -30.555 1.00 15.22 ? 30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -31.030 1.126   -30.355 1.00 15.48 ? 30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.349 2.470   -30.529 1.00 18.05 ? 30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.585 3.163   -31.573 1.00 18.95 ? 30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.488 0.043   -31.277 1.00 17.16 ? 30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -31.005 -1.333  -30.884 1.00 20.36 ? 30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -28.961 0.037   -31.254 1.00 17.46 ? 30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -30.813 -2.312  -31.874 1.00 24.06 ? 30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.478 2.845   -29.617 1.00 16.77 ? 31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.763 4.130   -29.676 1.00 16.87 ? 31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -27.842 4.201   -30.911 1.00 15.37 ? 31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.492 3.209   -31.492 1.00 16.52 ? 31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -28.031 4.305   -28.407 1.00 18.13 ? 31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -27.018 3.311   -28.278 1.00 17.72 ? 31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.475 5.446   -31.280 1.00 19.70 ? 32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.582 5.710   -32.435 1.00 20.33 ? 32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.289 4.893   -32.328 1.00 17.98 ? 32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -24.860 4.356   -33.349 1.00 21.90 ? 32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -26.227 7.201   -32.456 1.00 24.20 ? 32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -25.348 7.589   -33.620 1.00 29.34 ? 32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.447 9.072   -33.863 1.00 29.13 ? 32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -25.283 9.902   -32.616 1.00 34.87 ? 32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.326 11.324  -33.000 1.00 37.00 ? 32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.740 4.815   -31.115 1.00 19.12 ? 33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.450 4.106   -30.888 1.00 18.57 ? 33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.656 2.580   -30.840 1.00 16.78 ? 33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.640 1.848   -30.735 1.00 17.33 ? 33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.715 4.614   -29.655 1.00 20.00 ? 33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.374 4.349   -28.321 1.00 20.89 ? 33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.477 3.697   -28.302 1.00 20.49 ? 33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.769 4.774   -27.324 1.00 24.84 ? 33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -24.888 2.104   -30.934 1.00 16.31 ? 34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.235 0.665   -30.940 1.00 15.91 ? 34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.785 0.028   -29.603 1.00 13.12 ? 34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.625 -1.213  -29.597 1.00 14.32 ? 34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.713 -0.039  -32.195 1.00 19.68 ? 34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.302 0.568   -33.469 1.00 23.55 ? 34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -24.838 -0.013  -34.769 1.00 31.37 ? 34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.404 -0.118  -34.905 1.00 40.40 ? 34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.692 -1.250  -34.809 1.00 53.47 ? 34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.277 -2.426  -34.567 1.00 53.52 ? 34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.376 -1.195  -34.972 1.00 57.63 ? 34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.752 0.772   -28.529 1.00 12.72 ? 35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.370 0.248   -27.199 1.00 13.99 ? 35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.518 0.259   -26.194 1.00 14.31 ? 35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.328 -0.285  -25.097 1.00 15.27 ? 35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.170 1.007   -26.627 1.00 15.19 ? 35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -21.938 0.896   -27.510 1.00 18.11 ? 35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -21.098 -0.314  -27.252 1.00 19.51 ? 35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.327 -0.109  -26.027 1.00 20.49 ? 35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.580 -1.046  -25.454 1.00 19.95 ? 35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.499 -2.223  -26.017 1.00 21.52 ? 35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -18.937 -0.786  -24.337 1.00 20.98 ? 35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.689 0.822   -26.490 1.00 13.44 ? 36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -27.845 0.848   -25.581 1.00 14.39 ? 36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -29.100 0.460   -26.344 1.00 13.02 ? 36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.211 0.699   -27.583 1.00 14.00 ? 36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -28.081 2.229   -24.982 1.00 17.29 ? 36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -26.832 2.854   -24.416 1.00 20.12 ? 36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -27.213 4.084   -23.626 1.00 23.20 ? 36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.377 4.310   -23.253 1.00 24.96 ? 36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -26.211 4.890   -23.365 1.00 28.68 ? 36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -30.023 -0.176  -25.639 1.00 12.15 ? 37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.324 -0.543  -26.245 1.00 12.13 ? 37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.400 -0.350  -25.199 1.00 12.67 ? 37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.218 -0.750  -24.049 1.00 11.94 ? 37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.270 -1.944  -26.853 1.00 11.34 ? 37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -30.865 -3.005  -25.823 1.00 11.35 ? 37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.591 -2.317  -27.512 1.00 13.09 ? 37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.558 0.128   -25.625 1.00 12.56 ? 38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.725 0.213   -24.731 1.00 13.18 ? 38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -35.988 -0.093  -25.542 1.00 13.36 ? 38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -35.988 -0.012  -26.770 1.00 11.91 ? 38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.811 1.584   -24.079 1.00 14.53 ? 38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -35.144 2.701   -25.051 1.00 17.16 ? 38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -35.093 4.027   -24.288 1.00 20.58 ? 38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -35.388 5.127   -25.176 1.00 25.21 ? 38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -36.579 5.602   -25.459 1.00 22.23 ? 38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -37.684 5.075   -24.977 1.00 27.66 ? 38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -36.646 6.632   -26.311 1.00 28.62 ? 38  ARG B NH2 1 
ATOM   283  N N   A MET A 1 33  ? -37.043 -0.406  -24.800 0.26 13.08 ? 39  MET B N   1 
ATOM   284  N N   B MET A 1 33  ? -37.068 -0.485  -24.867 0.18 13.56 ? 39  MET B N   1 
ATOM   285  C CA  A MET A 1 33  ? -38.411 -0.617  -25.326 0.26 15.01 ? 39  MET B CA  1 
ATOM   286  C CA  B MET A 1 33  ? -38.349 -0.773  -25.569 0.18 15.06 ? 39  MET B CA  1 
ATOM   287  C C   A MET A 1 33  ? -38.999 0.744   -25.724 0.26 14.53 ? 39  MET B C   1 
ATOM   288  C C   B MET A 1 33  ? -39.145 0.527   -25.698 0.18 14.70 ? 39  MET B C   1 
ATOM   289  O O   A MET A 1 33  ? -38.964 1.702   -24.929 0.26 14.93 ? 39  MET B O   1 
ATOM   290  O O   B MET A 1 33  ? -39.485 1.127   -24.629 0.18 13.65 ? 39  MET B O   1 
ATOM   291  C CB  A MET A 1 33  ? -39.265 -1.307  -24.256 0.26 16.00 ? 39  MET B CB  1 
ATOM   292  C CB  B MET A 1 33  ? -39.217 -1.818  -24.862 0.18 16.41 ? 39  MET B CB  1 
ATOM   293  C CG  A MET A 1 33  ? -40.645 -1.752  -24.729 0.26 18.42 ? 39  MET B CG  1 
ATOM   294  C CG  B MET A 1 33  ? -40.567 -2.044  -25.587 0.18 18.83 ? 39  MET B CG  1 
ATOM   295  S SD  A MET A 1 33  ? -40.555 -2.832  -26.215 0.26 20.41 ? 39  MET B SD  1 
ATOM   296  S SD  B MET A 1 33  ? -41.317 -3.603  -25.076 0.18 21.15 ? 39  MET B SD  1 
ATOM   297  C CE  A MET A 1 33  ? -42.154 -3.641  -26.172 0.26 20.48 ? 39  MET B CE  1 
ATOM   298  C CE  B MET A 1 33  ? -42.457 -3.847  -26.436 0.18 21.06 ? 39  MET B CE  1 
ATOM   299  N N   . GLY A 1 34  ? -39.463 0.862   -26.958 1.00 14.84 ? 40  GLY B N   1 
ATOM   300  C CA  . GLY A 1 34  ? -40.240 2.048   -27.356 1.00 16.49 ? 40  GLY B CA  1 
ATOM   301  C C   . GLY A 1 34  ? -41.693 1.877   -26.954 1.00 17.52 ? 40  GLY B C   1 
ATOM   302  O O   . GLY A 1 34  ? -42.136 0.780   -26.524 1.00 18.04 ? 40  GLY B O   1 
ATOM   303  N N   . ASP A 1 35  ? -42.431 2.994   -27.028 1.00 22.84 ? 41  ASP B N   1 
ATOM   304  C CA  . ASP A 1 35  ? -43.863 2.933   -26.633 1.00 24.56 ? 41  ASP B CA  1 
ATOM   305  C C   . ASP A 1 35  ? -44.744 2.525   -27.840 1.00 23.80 ? 41  ASP B C   1 
ATOM   306  O O   . ASP A 1 35  ? -45.989 2.396   -27.651 1.00 26.70 ? 41  ASP B O   1 
ATOM   307  C CB  . ASP A 1 35  ? -44.316 4.218   -25.903 1.00 32.59 ? 41  ASP B CB  1 
ATOM   308  C CG  . ASP A 1 35  ? -43.995 4.307   -24.397 1.00 44.37 ? 41  ASP B CG  1 
ATOM   309  O OD1 . ASP A 1 35  ? -43.935 3.248   -23.704 1.00 45.78 ? 41  ASP B OD1 1 
ATOM   310  O OD2 . ASP A 1 35  ? -43.831 5.445   -23.888 1.00 47.35 ? 41  ASP B OD2 1 
ATOM   311  N N   . THR A 1 36  ? -44.165 2.394   -29.034 0.50 21.90 ? 42  THR B N   1 
ATOM   312  C CA  . THR A 1 36  ? -44.879 1.909   -30.249 0.50 21.59 ? 42  THR B CA  1 
ATOM   313  C C   . THR A 1 36  ? -43.924 1.042   -31.075 0.50 20.52 ? 42  THR B C   1 
ATOM   314  O O   . THR A 1 36  ? -42.726 0.849   -30.653 0.50 17.19 ? 42  THR B O   1 
ATOM   315  C CB  . THR A 1 36  ? -45.432 3.064   -31.098 0.50 22.12 ? 42  THR B CB  1 
ATOM   316  O OG1 . THR A 1 36  ? -46.255 2.500   -32.121 0.50 23.53 ? 42  THR B OG1 1 
ATOM   317  C CG2 . THR A 1 36  ? -44.346 3.895   -31.745 0.50 22.14 ? 42  THR B CG2 1 
ATOM   318  N N   . HIS A 1 37  ? -44.449 0.478   -32.168 0.50 21.36 ? 43  HIS B N   1 
ATOM   319  C CA  . HIS A 1 37  ? -43.669 0.050   -33.359 0.50 22.37 ? 43  HIS B CA  1 
ATOM   320  C C   . HIS A 1 37  ? -42.757 1.215   -33.779 0.50 21.51 ? 43  HIS B C   1 
ATOM   321  O O   . HIS A 1 37  ? -43.217 2.380   -33.663 0.50 22.80 ? 43  HIS B O   1 
ATOM   322  C CB  . HIS A 1 37  ? -44.676 -0.397  -34.430 0.50 24.26 ? 43  HIS B CB  1 
ATOM   323  C CG  . HIS A 1 37  ? -44.199 -1.442  -35.379 0.50 25.34 ? 43  HIS B CG  1 
ATOM   324  N ND1 . HIS A 1 37  ? -43.488 -1.132  -36.518 0.50 26.62 ? 43  HIS B ND1 1 
ATOM   325  C CD2 . HIS A 1 37  ? -44.380 -2.780  -35.397 0.50 27.02 ? 43  HIS B CD2 1 
ATOM   326  C CE1 . HIS A 1 37  ? -43.235 -2.239  -37.184 0.50 26.55 ? 43  HIS B CE1 1 
ATOM   327  N NE2 . HIS A 1 37  ? -43.767 -3.266  -36.517 0.50 26.98 ? 43  HIS B NE2 1 
ATOM   328  N N   . GLN A 1 38  ? -41.523 0.939   -34.242 0.50 19.16 ? 44  GLN B N   1 
ATOM   329  C CA  . GLN A 1 38  ? -40.450 1.960   -34.444 0.50 17.86 ? 44  GLN B CA  1 
ATOM   330  C C   . GLN A 1 38  ? -40.247 2.426   -35.897 0.50 17.81 ? 44  GLN B C   1 
ATOM   331  O O   . GLN A 1 38  ? -39.260 3.170   -36.145 0.50 18.16 ? 44  GLN B O   1 
ATOM   332  C CB  . GLN A 1 38  ? -39.109 1.415   -33.972 0.50 17.78 ? 44  GLN B CB  1 
ATOM   333  C CG  . GLN A 1 38  ? -38.927 1.582   -32.484 0.50 16.96 ? 44  GLN B CG  1 
ATOM   334  C CD  . GLN A 1 38  ? -39.494 2.896   -32.014 0.50 16.64 ? 44  GLN B CD  1 
ATOM   335  O OE1 . GLN A 1 38  ? -40.427 2.943   -31.216 0.50 19.87 ? 44  GLN B OE1 1 
ATOM   336  N NE2 . GLN A 1 38  ? -38.961 3.977   -32.554 0.50 15.44 ? 44  GLN B NE2 1 
ATOM   337  N N   . ASN A 1 39  ? -41.110 1.997   -36.815 1.00 16.01 ? 45  ASN B N   1 
ATOM   338  C CA  . ASN A 1 39  ? -41.168 2.483   -38.233 1.00 14.21 ? 45  ASN B CA  1 
ATOM   339  C C   . ASN A 1 39  ? -40.063 1.861   -39.071 1.00 16.03 ? 45  ASN B C   1 
ATOM   340  O O   . ASN A 1 39  ? -39.557 2.476   -40.005 1.00 18.58 ? 45  ASN B O   1 
ATOM   341  C CB  . ASN A 1 39  ? -41.263 4.032   -38.343 1.00 14.87 ? 45  ASN B CB  1 
ATOM   342  C CG  . ASN A 1 39  ? -41.858 4.458   -39.677 1.00 15.51 ? 45  ASN B CG  1 
ATOM   343  O OD1 . ASN A 1 39  ? -42.705 3.762   -40.231 1.00 14.72 ? 45  ASN B OD1 1 
ATOM   344  N ND2 . ASN A 1 39  ? -41.408 5.580   -40.253 1.00 14.83 ? 45  ASN B ND2 1 
ATOM   345  N N   . VAL A 1 40  ? -39.762 0.592   -38.816 1.00 17.36 ? 46  VAL B N   1 
ATOM   346  C CA  . VAL A 1 40  ? -38.797 -0.239  -39.583 1.00 17.59 ? 46  VAL B CA  1 
ATOM   347  C C   . VAL A 1 40  ? -39.554 -1.286  -40.414 1.00 16.37 ? 46  VAL B C   1 
ATOM   348  O O   . VAL A 1 40  ? -40.627 -1.709  -39.981 1.00 17.36 ? 46  VAL B O   1 
ATOM   349  C CB  . VAL A 1 40  ? -37.780 -0.913  -38.645 1.00 18.98 ? 46  VAL B CB  1 
ATOM   350  C CG1 . VAL A 1 40  ? -36.893 0.131   -37.984 1.00 21.81 ? 46  VAL B CG1 1 
ATOM   351  C CG2 . VAL A 1 40  ? -38.449 -1.783  -37.592 1.00 19.16 ? 46  VAL B CG2 1 
ATOM   352  N N   . SER A 1 41  ? -38.969 -1.748  -41.508 1.00 18.63 ? 47  SER B N   1 
ATOM   353  C CA  . SER A 1 41  ? -39.516 -2.893  -42.260 1.00 19.86 ? 47  SER B CA  1 
ATOM   354  C C   . SER A 1 41  ? -39.325 -4.201  -41.482 1.00 19.97 ? 47  SER B C   1 
ATOM   355  O O   . SER A 1 41  ? -38.374 -4.320  -40.683 1.00 18.34 ? 47  SER B O   1 
ATOM   356  C CB  . SER A 1 41  ? -38.925 -2.973  -43.646 1.00 22.80 ? 47  SER B CB  1 
ATOM   357  O OG  . SER A 1 41  ? -37.517 -3.131  -43.585 1.00 25.73 ? 47  SER B OG  1 
ATOM   358  N N   . ASP A 1 42  ? -40.166 -5.188  -41.726 1.00 19.16 ? 48  ASP B N   1 
ATOM   359  C CA  . ASP A 1 42  ? -40.020 -6.537  -41.153 1.00 19.27 ? 48  ASP B CA  1 
ATOM   360  C C   . ASP A 1 42  ? -38.964 -7.276  -41.961 1.00 20.87 ? 48  ASP B C   1 
ATOM   361  O O   . ASP A 1 42  ? -38.692 -6.926  -43.140 1.00 20.45 ? 48  ASP B O   1 
ATOM   362  C CB  . ASP A 1 42  ? -41.354 -7.251  -41.116 1.00 21.57 ? 48  ASP B CB  1 
ATOM   363  C CG  . ASP A 1 42  ? -41.236 -8.524  -40.313 1.00 26.73 ? 48  ASP B CG  1 
ATOM   364  O OD1 . ASP A 1 42  ? -40.507 -8.525  -39.228 1.00 20.02 ? 48  ASP B OD1 1 
ATOM   365  O OD2 . ASP A 1 42  ? -41.733 -9.547  -40.868 1.00 33.02 ? 48  ASP B OD2 1 
ATOM   366  N N   . ASN A 1 43  ? -38.338 -8.274  -41.331 1.00 18.27 ? 49  ASN B N   1 
ATOM   367  C CA  . ASN A 1 43  ? -37.363 -9.156  -42.002 1.00 19.69 ? 49  ASN B CA  1 
ATOM   368  C C   . ASN A 1 43  ? -37.301 -10.458 -41.212 1.00 20.43 ? 49  ASN B C   1 
ATOM   369  O O   . ASN A 1 43  ? -37.875 -10.538 -40.103 1.00 20.04 ? 49  ASN B O   1 
ATOM   370  C CB  . ASN A 1 43  ? -36.030 -8.482  -42.186 1.00 17.63 ? 49  ASN B CB  1 
ATOM   371  C CG  . ASN A 1 43  ? -35.277 -8.285  -40.883 1.00 19.03 ? 49  ASN B CG  1 
ATOM   372  O OD1 . ASN A 1 43  ? -35.098 -9.236  -40.131 1.00 20.50 ? 49  ASN B OD1 1 
ATOM   373  N ND2 . ASN A 1 43  ? -34.865 -7.102  -40.580 1.00 17.93 ? 49  ASN B ND2 1 
ATOM   374  N N   . LYS A 1 44  ? -36.668 -11.465 -41.785 1.00 20.64 ? 50  LYS B N   1 
ATOM   375  C CA  . LYS A 1 44  ? -36.707 -12.824 -41.212 1.00 22.14 ? 50  LYS B CA  1 
ATOM   376  C C   . LYS A 1 44  ? -35.808 -12.911 -39.956 1.00 18.30 ? 50  LYS B C   1 
ATOM   377  O O   . LYS A 1 44  ? -35.992 -13.881 -39.190 1.00 20.14 ? 50  LYS B O   1 
ATOM   378  C CB  . LYS A 1 44  ? -36.200 -13.828 -42.261 1.00 24.75 ? 50  LYS B CB  1 
ATOM   379  C CG  . LYS A 1 44  ? -34.737 -13.635 -42.608 1.00 30.00 ? 50  LYS B CG  1 
ATOM   380  C CD  . LYS A 1 44  ? -34.328 -14.086 -44.008 1.00 39.28 ? 50  LYS B CD  1 
ATOM   381  C CE  . LYS A 1 44  ? -32.917 -14.634 -44.017 1.00 43.58 ? 50  LYS B CE  1 
ATOM   382  N NZ  . LYS A 1 44  ? -32.864 -15.949 -43.328 1.00 47.55 ? 50  LYS B NZ  1 
ATOM   383  N N   . GLU A 1 45  ? -34.910 -11.954 -39.761 1.00 17.89 ? 51  GLU B N   1 
ATOM   384  C CA  . GLU A 1 45  ? -33.997 -11.962 -38.570 1.00 17.64 ? 51  GLU B CA  1 
ATOM   385  C C   . GLU A 1 45  ? -34.715 -11.434 -37.321 1.00 17.25 ? 51  GLU B C   1 
ATOM   386  O O   . GLU A 1 45  ? -34.269 -11.747 -36.192 1.00 16.81 ? 51  GLU B O   1 
ATOM   387  C CB  . GLU A 1 45  ? -32.785 -11.094 -38.843 1.00 20.85 ? 51  GLU B CB  1 
ATOM   388  C CG  . GLU A 1 45  ? -31.928 -11.557 -40.024 1.00 26.47 ? 51  GLU B CG  1 
ATOM   389  C CD  . GLU A 1 45  ? -30.744 -10.625 -40.250 1.00 36.05 ? 51  GLU B CD  1 
ATOM   390  O OE1 . GLU A 1 45  ? -30.726 -9.944  -41.306 1.00 48.88 ? 51  GLU B OE1 1 
ATOM   391  O OE2 . GLU A 1 45  ? -29.861 -10.527 -39.361 1.00 42.38 ? 51  GLU B OE2 1 
ATOM   392  N N   . ARG A 1 46  ? -35.745 -10.602 -37.444 1.00 15.17 ? 52  ARG B N   1 
ATOM   393  C CA  . ARG A 1 46  ? -36.260 -9.892  -36.239 1.00 14.39 ? 52  ARG B CA  1 
ATOM   394  C C   . ARG A 1 46  ? -36.976 -10.830 -35.290 1.00 14.43 ? 52  ARG B C   1 
ATOM   395  O O   . ARG A 1 46  ? -37.833 -11.647 -35.693 1.00 15.77 ? 52  ARG B O   1 
ATOM   396  C CB  . ARG A 1 46  ? -37.257 -8.790  -36.622 1.00 13.71 ? 52  ARG B CB  1 
ATOM   397  C CG  . ARG A 1 46  ? -36.689 -7.648  -37.418 1.00 15.55 ? 52  ARG B CG  1 
ATOM   398  C CD  . ARG A 1 46  ? -37.609 -6.404  -37.365 1.00 14.37 ? 52  ARG B CD  1 
ATOM   399  N NE  . ARG A 1 46  ? -37.090 -5.394  -38.250 1.00 16.28 ? 52  ARG B NE  1 
ATOM   400  C CZ  . ARG A 1 46  ? -36.025 -4.648  -38.034 1.00 15.67 ? 52  ARG B CZ  1 
ATOM   401  N NH1 . ARG A 1 46  ? -35.360 -4.703  -36.872 1.00 14.92 ? 52  ARG B NH1 1 
ATOM   402  N NH2 . ARG A 1 46  ? -35.566 -3.830  -38.972 1.00 19.12 ? 52  ARG B NH2 1 
ATOM   403  N N   . PHE A 1 47  ? -36.678 -10.759 -34.000 1.00 12.89 ? 53  PHE B N   1 
ATOM   404  C CA  . PHE A 1 47  ? -37.484 -11.462 -33.004 1.00 12.42 ? 53  PHE B CA  1 
ATOM   405  C C   . PHE A 1 47  ? -38.912 -10.866 -33.021 1.00 14.60 ? 53  PHE B C   1 
ATOM   406  O O   . PHE A 1 47  ? -39.052 -9.653  -32.766 1.00 14.95 ? 53  PHE B O   1 
ATOM   407  C CB  . PHE A 1 47  ? -36.870 -11.354 -31.611 1.00 12.10 ? 53  PHE B CB  1 
ATOM   408  C CG  . PHE A 1 47  ? -35.625 -12.198 -31.466 1.00 11.60 ? 53  PHE B CG  1 
ATOM   409  C CD1 . PHE A 1 47  ? -35.730 -13.558 -31.219 1.00 11.57 ? 53  PHE B CD1 1 
ATOM   410  C CD2 . PHE A 1 47  ? -34.361 -11.654 -31.541 1.00 12.89 ? 53  PHE B CD2 1 
ATOM   411  C CE1 . PHE A 1 47  ? -34.601 -14.361 -31.087 1.00 12.83 ? 53  PHE B CE1 1 
ATOM   412  C CE2 . PHE A 1 47  ? -33.235 -12.464 -31.403 1.00 12.86 ? 53  PHE B CE2 1 
ATOM   413  C CZ  . PHE A 1 47  ? -33.375 -13.819 -31.173 1.00 11.69 ? 53  PHE B CZ  1 
ATOM   414  N N   . SER A 1 48  ? -39.929 -11.670 -33.246 1.00 15.03 ? 54  SER B N   1 
ATOM   415  C CA  . SER A 1 48  ? -41.316 -11.153 -33.430 1.00 16.96 ? 54  SER B CA  1 
ATOM   416  C C   . SER A 1 48  ? -42.050 -11.043 -32.102 1.00 15.99 ? 54  SER B C   1 
ATOM   417  O O   . SER A 1 48  ? -42.835 -10.066 -31.945 1.00 19.33 ? 54  SER B O   1 
ATOM   418  C CB  . SER A 1 48  ? -42.046 -12.037 -34.430 1.00 16.03 ? 54  SER B CB  1 
ATOM   419  O OG  . SER A 1 48  ? -42.194 -13.347 -33.983 1.00 16.69 ? 54  SER B OG  1 
ATOM   420  N N   . ASN A 1 49  ? -41.936 -11.983 -31.199 1.00 15.57 ? 55  ASN B N   1 
ATOM   421  C CA  . ASN A 1 49  ? -42.853 -12.149 -30.047 1.00 16.13 ? 55  ASN B CA  1 
ATOM   422  C C   . ASN A 1 49  ? -42.355 -11.396 -28.810 1.00 15.47 ? 55  ASN B C   1 
ATOM   423  O O   . ASN A 1 49  ? -43.138 -11.242 -27.849 1.00 16.88 ? 55  ASN B O   1 
ATOM   424  C CB  . ASN A 1 49  ? -43.151 -13.605 -29.689 1.00 17.03 ? 55  ASN B CB  1 
ATOM   425  C CG  . ASN A 1 49  ? -44.064 -14.306 -30.687 1.00 20.69 ? 55  ASN B CG  1 
ATOM   426  O OD1 . ASN A 1 49  ? -43.901 -14.135 -31.890 1.00 22.72 ? 55  ASN B OD1 1 
ATOM   427  N ND2 . ASN A 1 49  ? -44.971 -15.123 -30.155 1.00 23.31 ? 55  ASN B ND2 1 
ATOM   428  N N   . TYR A 1 50  ? -41.046 -11.117 -28.717 1.00 13.43 ? 56  TYR B N   1 
ATOM   429  C CA  . TYR A 1 50  ? -40.441 -10.649 -27.455 1.00 12.98 ? 56  TYR B CA  1 
ATOM   430  C C   . TYR A 1 50  ? -39.477 -9.503  -27.766 1.00 11.67 ? 56  TYR B C   1 
ATOM   431  O O   . TYR A 1 50  ? -38.933 -9.419  -28.861 1.00 12.37 ? 56  TYR B O   1 
ATOM   432  C CB  . TYR A 1 50  ? -39.643 -11.787 -26.813 1.00 13.01 ? 56  TYR B CB  1 
ATOM   433  C CG  . TYR A 1 50  ? -40.351 -13.120 -26.741 1.00 14.18 ? 56  TYR B CG  1 
ATOM   434  C CD1 . TYR A 1 50  ? -41.380 -13.293 -25.836 1.00 16.47 ? 56  TYR B CD1 1 
ATOM   435  C CD2 . TYR A 1 50  ? -40.042 -14.192 -27.567 1.00 14.69 ? 56  TYR B CD2 1 
ATOM   436  C CE1 . TYR A 1 50  ? -42.060 -14.507 -25.726 1.00 18.41 ? 56  TYR B CE1 1 
ATOM   437  C CE2 . TYR A 1 50  ? -40.749 -15.384 -27.524 1.00 16.71 ? 56  TYR B CE2 1 
ATOM   438  C CZ  . TYR A 1 50  ? -41.725 -15.554 -26.561 1.00 16.87 ? 56  TYR B CZ  1 
ATOM   439  O OH  . TYR A 1 50  ? -42.352 -16.781 -26.505 1.00 17.81 ? 56  TYR B OH  1 
ATOM   440  N N   . PRO A 1 51  ? -39.159 -8.638  -26.770 1.00 11.21 ? 57  PRO B N   1 
ATOM   441  C CA  . PRO A 1 51  ? -38.310 -7.471  -27.006 1.00 11.09 ? 57  PRO B CA  1 
ATOM   442  C C   . PRO A 1 51  ? -36.795 -7.789  -26.984 1.00 10.84 ? 57  PRO B C   1 
ATOM   443  O O   . PRO A 1 51  ? -36.034 -7.258  -26.209 1.00 11.44 ? 57  PRO B O   1 
ATOM   444  C CB  . PRO A 1 51  ? -38.699 -6.511  -25.838 1.00 13.56 ? 57  PRO B CB  1 
ATOM   445  C CG  . PRO A 1 51  ? -39.902 -7.140  -25.172 1.00 13.89 ? 57  PRO B CG  1 
ATOM   446  C CD  . PRO A 1 51  ? -39.802 -8.585  -25.466 1.00 12.09 ? 57  PRO B CD  1 
ATOM   447  N N   . MET A 1 52  ? -36.415 -8.662  -27.929 1.00 10.67 ? 58  MET B N   1 
ATOM   448  C CA  . MET A 1 52  ? -35.056 -9.256  -28.026 1.00 9.85  ? 58  MET B CA  1 
ATOM   449  C C   . MET A 1 52  ? -34.271 -8.664  -29.174 1.00 10.42 ? 58  MET B C   1 
ATOM   450  O O   . MET A 1 52  ? -34.802 -8.168  -30.199 1.00 11.05 ? 58  MET B O   1 
ATOM   451  C CB  . MET A 1 52  ? -35.184 -10.759 -28.212 1.00 10.61 ? 58  MET B CB  1 
ATOM   452  C CG  . MET A 1 52  ? -35.744 -11.475 -27.009 1.00 10.32 ? 58  MET B CG  1 
ATOM   453  S SD  . MET A 1 52  ? -36.225 -13.172 -27.424 1.00 12.18 ? 58  MET B SD  1 
ATOM   454  C CE  . MET A 1 52  ? -36.827 -13.805 -25.871 1.00 13.58 ? 58  MET B CE  1 
ATOM   455  N N   . VAL A 1 53  ? -32.944 -8.719  -29.014 1.00 10.29 ? 59  VAL B N   1 
ATOM   456  C CA  . VAL A 1 53  ? -31.974 -8.250  -30.027 1.00 10.57 ? 59  VAL B CA  1 
ATOM   457  C C   . VAL A 1 53  ? -30.677 -9.023  -29.811 1.00 11.48 ? 59  VAL B C   1 
ATOM   458  O O   . VAL A 1 53  ? -30.374 -9.412  -28.654 1.00 11.02 ? 59  VAL B O   1 
ATOM   459  C CB  . VAL A 1 53  ? -31.781 -6.717  -29.969 1.00 10.82 ? 59  VAL B CB  1 
ATOM   460  C CG1 . VAL A 1 53  ? -31.248 -6.232  -28.635 1.00 11.57 ? 59  VAL B CG1 1 
ATOM   461  C CG2 . VAL A 1 53  ? -30.911 -6.210  -31.128 1.00 11.00 ? 59  VAL B CG2 1 
ATOM   462  N N   . LEU A 1 54  ? -29.919 -9.212  -30.869 1.00 10.88 ? 60  LEU B N   1 
ATOM   463  C CA  . LEU A 1 54  ? -28.576 -9.852  -30.810 1.00 10.91 ? 60  LEU B CA  1 
ATOM   464  C C   . LEU A 1 54  ? -27.462 -8.841  -30.920 1.00 11.64 ? 60  LEU B C   1 
ATOM   465  O O   . LEU A 1 54  ? -27.590 -7.764  -31.606 1.00 12.61 ? 60  LEU B O   1 
ATOM   466  C CB  . LEU A 1 54  ? -28.418 -10.889 -31.918 1.00 11.46 ? 60  LEU B CB  1 
ATOM   467  C CG  . LEU A 1 54  ? -29.476 -11.964 -31.961 1.00 12.01 ? 60  LEU B CG  1 
ATOM   468  C CD1 . LEU A 1 54  ? -29.190 -13.066 -32.995 1.00 14.14 ? 60  LEU B CD1 1 
ATOM   469  C CD2 . LEU A 1 54  ? -29.669 -12.609 -30.597 1.00 12.34 ? 60  LEU B CD2 1 
ATOM   470  N N   . GLY A 1 55  ? -26.301 -9.190  -30.368 1.00 11.38 ? 61  GLY B N   1 
ATOM   471  C CA  . GLY A 1 55  ? -25.049 -8.505  -30.741 1.00 12.15 ? 61  GLY B CA  1 
ATOM   472  C C   . GLY A 1 55  ? -24.646 -8.813  -32.180 1.00 11.82 ? 61  GLY B C   1 
ATOM   473  O O   . GLY A 1 55  ? -24.985 -9.880  -32.670 1.00 12.86 ? 61  GLY B O   1 
ATOM   474  N N   . ALA A 1 56  ? -23.883 -7.920  -32.781 1.00 13.70 ? 62  ALA B N   1 
ATOM   475  C CA  . ALA A 1 56  ? -23.375 -8.090  -34.154 1.00 15.76 ? 62  ALA B CA  1 
ATOM   476  C C   . ALA A 1 56  ? -22.259 -9.135  -34.196 1.00 15.75 ? 62  ALA B C   1 
ATOM   477  O O   . ALA A 1 56  ? -22.120 -9.822  -35.238 1.00 20.05 ? 62  ALA B O   1 
ATOM   478  C CB  . ALA A 1 56  ? -22.901 -6.749  -34.628 1.00 17.35 ? 62  ALA B CB  1 
ATOM   479  N N   . GLN A 1 57  ? -21.518 -9.256  -33.106 1.00 15.45 ? 63  GLN B N   1 
ATOM   480  C CA  . GLN A 1 57  ? -20.318 -10.135 -33.092 1.00 15.36 ? 63  GLN B CA  1 
ATOM   481  C C   . GLN A 1 57  ? -20.760 -11.598 -33.112 1.00 16.44 ? 63  GLN B C   1 
ATOM   482  O O   . GLN A 1 57  ? -21.781 -11.981 -32.495 1.00 16.90 ? 63  GLN B O   1 
ATOM   483  C CB  . GLN A 1 57  ? -19.469 -9.797  -31.856 1.00 18.01 ? 63  GLN B CB  1 
ATOM   484  C CG  . GLN A 1 57  ? -18.786 -8.438  -31.918 1.00 19.05 ? 63  GLN B CG  1 
ATOM   485  C CD  . GLN A 1 57  ? -19.743 -7.258  -31.800 1.00 19.80 ? 63  GLN B CD  1 
ATOM   486  O OE1 . GLN A 1 57  ? -20.675 -7.296  -31.013 1.00 17.77 ? 63  GLN B OE1 1 
ATOM   487  N NE2 . GLN A 1 57  ? -19.523 -6.169  -32.509 1.00 22.44 ? 63  GLN B NE2 1 
ATOM   488  N N   . ARG A 1 58  ? -20.021 -12.443 -33.826 1.00 17.32 ? 64  ARG B N   1 
ATOM   489  C CA  . ARG A 1 58  ? -20.180 -13.903 -33.821 1.00 17.55 ? 64  ARG B CA  1 
ATOM   490  C C   . ARG A 1 58  ? -18.905 -14.549 -33.292 1.00 16.02 ? 64  ARG B C   1 
ATOM   491  O O   . ARG A 1 58  ? -17.816 -14.107 -33.666 1.00 19.53 ? 64  ARG B O   1 
ATOM   492  C CB  . ARG A 1 58  ? -20.378 -14.453 -35.248 1.00 22.06 ? 64  ARG B CB  1 
ATOM   493  C CG  . ARG A 1 58  ? -21.753 -14.270 -35.893 1.00 30.64 ? 64  ARG B CG  1 
ATOM   494  C CD  . ARG A 1 58  ? -22.253 -12.845 -35.825 1.00 32.25 ? 64  ARG B CD  1 
ATOM   495  N NE  . ARG A 1 58  ? -23.160 -12.182 -36.778 1.00 37.04 ? 64  ARG B NE  1 
ATOM   496  C CZ  . ARG A 1 58  ? -23.841 -12.707 -37.797 1.00 37.55 ? 64  ARG B CZ  1 
ATOM   497  N NH1 . ARG A 1 58  ? -24.605 -11.910 -38.526 1.00 40.48 ? 64  ARG B NH1 1 
ATOM   498  N NH2 . ARG A 1 58  ? -23.767 -13.982 -38.113 1.00 38.66 ? 64  ARG B NH2 1 
ATOM   499  N N   . PHE A 1 59  ? -19.030 -15.480 -32.378 1.00 15.17 ? 65  PHE B N   1 
ATOM   500  C CA  . PHE A 1 59  ? -17.870 -16.143 -31.723 1.00 15.32 ? 65  PHE B CA  1 
ATOM   501  C C   . PHE A 1 59  ? -17.927 -17.635 -32.008 1.00 13.99 ? 65  PHE B C   1 
ATOM   502  O O   . PHE A 1 59  ? -18.946 -18.274 -31.781 1.00 13.81 ? 65  PHE B O   1 
ATOM   503  C CB  . PHE A 1 59  ? -17.933 -15.880 -30.198 1.00 16.93 ? 65  PHE B CB  1 
ATOM   504  C CG  . PHE A 1 59  ? -17.917 -14.408 -29.837 1.00 19.16 ? 65  PHE B CG  1 
ATOM   505  C CD1 . PHE A 1 59  ? -16.883 -13.600 -30.311 1.00 21.58 ? 65  PHE B CD1 1 
ATOM   506  C CD2 . PHE A 1 59  ? -18.897 -13.830 -29.073 1.00 26.56 ? 65  PHE B CD2 1 
ATOM   507  C CE1 . PHE A 1 59  ? -16.815 -12.246 -30.019 1.00 25.12 ? 65  PHE B CE1 1 
ATOM   508  C CE2 . PHE A 1 59  ? -18.812 -12.474 -28.766 1.00 20.68 ? 65  PHE B CE2 1 
ATOM   509  C CZ  . PHE A 1 59  ? -17.807 -11.694 -29.265 1.00 23.14 ? 65  PHE B CZ  1 
ATOM   510  N N   A SER A 1 60  ? -16.813 -18.213 -32.481 0.25 14.13 ? 66  SER B N   1 
ATOM   511  N N   B SER A 1 60  ? -16.811 -18.221 -32.464 0.25 14.41 ? 66  SER B N   1 
ATOM   512  C CA  A SER A 1 60  ? -16.709 -19.665 -32.785 0.25 14.73 ? 66  SER B CA  1 
ATOM   513  C CA  B SER A 1 60  ? -16.688 -19.679 -32.733 0.25 15.21 ? 66  SER B CA  1 
ATOM   514  C C   A SER A 1 60  ? -15.479 -20.288 -32.103 0.25 14.59 ? 66  SER B C   1 
ATOM   515  C C   B SER A 1 60  ? -15.396 -20.234 -32.141 0.25 15.31 ? 66  SER B C   1 
ATOM   516  O O   A SER A 1 60  ? -15.328 -21.529 -32.182 0.25 14.53 ? 66  SER B O   1 
ATOM   517  O O   B SER A 1 60  ? -14.983 -21.326 -32.550 0.25 15.00 ? 66  SER B O   1 
ATOM   518  C CB  A SER A 1 60  ? -16.758 -19.900 -34.288 0.25 14.98 ? 66  SER B CB  1 
ATOM   519  C CB  B SER A 1 60  ? -16.707 -19.950 -34.196 0.25 15.50 ? 66  SER B CB  1 
ATOM   520  O OG  A SER A 1 60  ? -18.107 -19.760 -34.773 0.25 15.24 ? 66  SER B OG  1 
ATOM   521  O OG  B SER A 1 60  ? -15.674 -19.214 -34.801 0.25 15.99 ? 66  SER B OG  1 
ATOM   522  N N   A SER A 1 61  ? -14.696 -19.486 -31.370 0.25 14.32 ? 67  SER B N   1 
ATOM   523  N N   B SER A 1 61  ? -14.767 -19.496 -31.233 0.25 15.56 ? 67  SER B N   1 
ATOM   524  C CA  A SER A 1 61  ? -13.500 -19.944 -30.621 0.25 15.50 ? 67  SER B CA  1 
ATOM   525  C CA  B SER A 1 61  ? -13.490 -19.907 -30.620 0.25 17.23 ? 67  SER B CA  1 
ATOM   526  C C   A SER A 1 61  ? -13.181 -18.961 -29.495 0.25 15.86 ? 67  SER B C   1 
ATOM   527  C C   B SER A 1 61  ? -13.106 -18.906 -29.540 0.25 16.73 ? 67  SER B C   1 
ATOM   528  O O   A SER A 1 61  ? -13.753 -17.874 -29.509 0.25 16.34 ? 67  SER B O   1 
ATOM   529  O O   B SER A 1 61  ? -13.537 -17.743 -29.650 0.25 16.64 ? 67  SER B O   1 
ATOM   530  C CB  A SER A 1 61  ? -12.321 -20.058 -31.557 0.25 15.58 ? 67  SER B CB  1 
ATOM   531  C CB  B SER A 1 61  ? -12.426 -19.986 -31.683 0.25 18.27 ? 67  SER B CB  1 
ATOM   532  O OG  A SER A 1 61  ? -11.879 -18.771 -31.952 0.25 15.55 ? 67  SER B OG  1 
ATOM   533  O OG  B SER A 1 61  ? -11.189 -20.347 -31.103 0.25 21.08 ? 67  SER B OG  1 
ATOM   534  N N   . GLY A 1 62  ? -12.273 -19.332 -28.592 1.00 17.36 ? 68  GLY B N   1 
ATOM   535  C CA  . GLY A 1 62  ? -11.660 -18.367 -27.677 1.00 18.17 ? 68  GLY B CA  1 
ATOM   536  C C   . GLY A 1 62  ? -12.501 -18.057 -26.451 1.00 15.29 ? 68  GLY B C   1 
ATOM   537  O O   . GLY A 1 62  ? -13.517 -18.710 -26.184 1.00 17.17 ? 68  GLY B O   1 
ATOM   538  N N   . LYS A 1 63  ? -12.004 -17.076 -25.736 1.00 14.99 ? 69  LYS B N   1 
ATOM   539  C CA  . LYS A 1 63  ? -12.580 -16.605 -24.479 1.00 15.88 ? 69  LYS B CA  1 
ATOM   540  C C   . LYS A 1 63  ? -13.014 -15.175 -24.729 1.00 15.45 ? 69  LYS B C   1 
ATOM   541  O O   . LYS A 1 63  ? -12.230 -14.361 -25.214 1.00 17.58 ? 69  LYS B O   1 
ATOM   542  C CB  . LYS A 1 63  ? -11.551 -16.713 -23.356 1.00 16.92 ? 69  LYS B CB  1 
ATOM   543  C CG  . LYS A 1 63  ? -11.141 -18.131 -22.993 1.00 17.99 ? 69  LYS B CG  1 
ATOM   544  C CD  . LYS A 1 63  ? -10.035 -18.221 -21.897 1.00 21.34 ? 69  LYS B CD  1 
ATOM   545  C CE  . LYS A 1 63  ? -9.655  -19.639 -21.543 1.00 25.34 ? 69  LYS B CE  1 
ATOM   546  N NZ  . LYS A 1 63  ? -8.613  -19.661 -20.484 1.00 29.06 ? 69  LYS B NZ  1 
ATOM   547  N N   . MET A 1 64  ? -14.220 -14.829 -24.284 1.00 14.39 ? 70  MET B N   1 
ATOM   548  C CA  . MET A 1 64  ? -14.844 -13.505 -24.490 1.00 14.46 ? 70  MET B CA  1 
ATOM   549  C C   . MET A 1 64  ? -15.507 -13.041 -23.203 1.00 13.71 ? 70  MET B C   1 
ATOM   550  O O   . MET A 1 64  ? -16.093 -13.864 -22.499 1.00 14.11 ? 70  MET B O   1 
ATOM   551  C CB  . MET A 1 64  ? -15.952 -13.589 -25.523 1.00 14.92 ? 70  MET B CB  1 
ATOM   552  C CG  . MET A 1 64  ? -15.516 -13.752 -26.959 1.00 16.06 ? 70  MET B CG  1 
ATOM   553  S SD  . MET A 1 64  ? -14.744 -15.331 -27.478 1.00 18.49 ? 70  MET B SD  1 
ATOM   554  C CE  . MET A 1 64  ? -15.954 -16.557 -27.045 1.00 17.38 ? 70  MET B CE  1 
ATOM   555  N N   . TYR A 1 65  ? -15.477 -11.763 -22.909 1.00 13.64 ? 71  TYR B N   1 
ATOM   556  C CA  . TYR A 1 65  ? -16.084 -11.199 -21.676 1.00 13.56 ? 71  TYR B CA  1 
ATOM   557  C C   . TYR A 1 65  ? -16.696 -9.854  -22.038 1.00 14.65 ? 71  TYR B C   1 
ATOM   558  O O   . TYR A 1 65  ? -16.035 -9.029  -22.742 1.00 15.06 ? 71  TYR B O   1 
ATOM   559  C CB  . TYR A 1 65  ? -15.032 -11.029 -20.577 1.00 14.84 ? 71  TYR B CB  1 
ATOM   560  C CG  . TYR A 1 65  ? -15.543 -10.428 -19.297 1.00 13.97 ? 71  TYR B CG  1 
ATOM   561  C CD1 . TYR A 1 65  ? -16.280 -11.189 -18.402 1.00 14.03 ? 71  TYR B CD1 1 
ATOM   562  C CD2 . TYR A 1 65  ? -15.360 -9.073  -19.016 1.00 15.13 ? 71  TYR B CD2 1 
ATOM   563  C CE1 . TYR A 1 65  ? -16.792 -10.649 -17.232 1.00 15.42 ? 71  TYR B CE1 1 
ATOM   564  C CE2 . TYR A 1 65  ? -15.883 -8.520  -17.860 1.00 14.49 ? 71  TYR B CE2 1 
ATOM   565  C CZ  . TYR A 1 65  ? -16.591 -9.296  -16.974 1.00 14.59 ? 71  TYR B CZ  1 
ATOM   566  O OH  . TYR A 1 65  ? -17.089 -8.725  -15.846 1.00 16.76 ? 71  TYR B OH  1 
ATOM   567  N N   . TRP A 1 66  ? -17.902 -9.583  -21.568 1.00 12.13 ? 72  TRP B N   1 
ATOM   568  C CA  . TRP A 1 66  ? -18.501 -8.232  -21.656 1.00 12.10 ? 72  TRP B CA  1 
ATOM   569  C C   . TRP A 1 66  ? -19.407 -7.975  -20.445 1.00 12.58 ? 72  TRP B C   1 
ATOM   570  O O   . TRP A 1 66  ? -19.733 -8.913  -19.702 1.00 13.01 ? 72  TRP B O   1 
ATOM   571  C CB  . TRP A 1 66  ? -19.231 -8.018  -23.004 1.00 11.77 ? 72  TRP B CB  1 
ATOM   572  C CG  . TRP A 1 66  ? -20.401 -8.915  -23.245 1.00 11.68 ? 72  TRP B CG  1 
ATOM   573  C CD1 . TRP A 1 66  ? -21.734 -8.630  -23.046 1.00 11.72 ? 72  TRP B CD1 1 
ATOM   574  C CD2 . TRP A 1 66  ? -20.399 -10.222 -23.819 1.00 12.26 ? 72  TRP B CD2 1 
ATOM   575  N NE1 . TRP A 1 66  ? -22.522 -9.692  -23.432 1.00 11.77 ? 72  TRP B NE1 1 
ATOM   576  C CE2 . TRP A 1 66  ? -21.722 -10.695 -23.889 1.00 12.77 ? 72  TRP B CE2 1 
ATOM   577  C CE3 . TRP A 1 66  ? -19.369 -11.080 -24.227 1.00 14.80 ? 72  TRP B CE3 1 
ATOM   578  C CZ2 . TRP A 1 66  ? -22.062 -11.930 -24.403 1.00 13.12 ? 72  TRP B CZ2 1 
ATOM   579  C CZ3 . TRP A 1 66  ? -19.699 -12.307 -24.751 1.00 16.65 ? 72  TRP B CZ3 1 
ATOM   580  C CH2 . TRP A 1 66  ? -21.020 -12.749 -24.786 1.00 15.30 ? 72  TRP B CH2 1 
ATOM   581  N N   . GLU A 1 67  ? -19.801 -6.712  -20.242 1.00 12.16 ? 73  GLU B N   1 
ATOM   582  C CA  . GLU A 1 67  ? -20.633 -6.286  -19.092 1.00 11.86 ? 73  GLU B CA  1 
ATOM   583  C C   . GLU A 1 67  ? -21.851 -5.511  -19.576 1.00 11.55 ? 73  GLU B C   1 
ATOM   584  O O   . GLU A 1 67  ? -21.749 -4.771  -20.548 1.00 12.78 ? 73  GLU B O   1 
ATOM   585  C CB  . GLU A 1 67  ? -19.819 -5.447  -18.104 1.00 13.47 ? 73  GLU B CB  1 
ATOM   586  C CG  . GLU A 1 67  ? -18.745 -6.291  -17.426 1.00 15.39 ? 73  GLU B CG  1 
ATOM   587  C CD  . GLU A 1 67  ? -17.876 -5.553  -16.430 1.00 19.13 ? 73  GLU B CD  1 
ATOM   588  O OE1 . GLU A 1 67  ? -18.075 -4.294  -16.292 1.00 23.95 ? 73  GLU B OE1 1 
ATOM   589  O OE2 . GLU A 1 67  ? -17.013 -6.224  -15.741 1.00 18.71 ? 73  GLU B OE2 1 
ATOM   590  N N   . VAL A 1 68  ? -22.947 -5.726  -18.874 1.00 12.28 ? 74  VAL B N   1 
ATOM   591  C CA  . VAL A 1 68  ? -24.217 -5.077  -19.205 1.00 11.60 ? 74  VAL B CA  1 
ATOM   592  C C   . VAL A 1 68  ? -24.797 -4.394  -17.969 1.00 11.60 ? 74  VAL B C   1 
ATOM   593  O O   . VAL A 1 68  ? -24.903 -5.028  -16.902 1.00 12.81 ? 74  VAL B O   1 
ATOM   594  C CB  . VAL A 1 68  ? -25.231 -6.080  -19.775 1.00 11.79 ? 74  VAL B CB  1 
ATOM   595  C CG1 . VAL A 1 68  ? -26.474 -5.327  -20.219 1.00 13.20 ? 74  VAL B CG1 1 
ATOM   596  C CG2 . VAL A 1 68  ? -24.634 -6.909  -20.890 1.00 12.75 ? 74  VAL B CG2 1 
ATOM   597  N N   . ASP A 1 69  ? -25.253 -3.142  -18.126 1.00 11.80 ? 75  ASP B N   1 
ATOM   598  C CA  . ASP A 1 69  ? -25.936 -2.363  -17.069 1.00 13.15 ? 75  ASP B CA  1 
ATOM   599  C C   . ASP A 1 69  ? -27.419 -2.665  -17.122 1.00 11.73 ? 75  ASP B C   1 
ATOM   600  O O   . ASP A 1 69  ? -28.043 -2.545  -18.243 1.00 12.32 ? 75  ASP B O   1 
ATOM   601  C CB  . ASP A 1 69  ? -25.657 -0.862  -17.238 1.00 14.84 ? 75  ASP B CB  1 
ATOM   602  C CG  . ASP A 1 69  ? -26.032 -0.058  -16.003 1.00 17.15 ? 75  ASP B CG  1 
ATOM   603  O OD1 . ASP A 1 69  ? -27.167 -0.052  -15.630 1.00 18.21 ? 75  ASP B OD1 1 
ATOM   604  O OD2 . ASP A 1 69  ? -25.107 0.409   -15.299 1.00 23.71 ? 75  ASP B OD2 1 
ATOM   605  N N   . VAL A 1 70  ? -27.975 -3.076  -15.976 1.00 12.06 ? 76  VAL B N   1 
ATOM   606  C CA  . VAL A 1 70  ? -29.407 -3.418  -15.803 1.00 12.74 ? 76  VAL B CA  1 
ATOM   607  C C   . VAL A 1 70  ? -30.100 -2.515  -14.754 1.00 13.29 ? 76  VAL B C   1 
ATOM   608  O O   . VAL A 1 70  ? -31.157 -2.862  -14.259 1.00 13.99 ? 76  VAL B O   1 
ATOM   609  C CB  . VAL A 1 70  ? -29.561 -4.919  -15.464 1.00 12.36 ? 76  VAL B CB  1 
ATOM   610  C CG1 . VAL A 1 70  ? -29.011 -5.811  -16.606 1.00 12.16 ? 76  VAL B CG1 1 
ATOM   611  C CG2 . VAL A 1 70  ? -28.937 -5.322  -14.137 1.00 12.68 ? 76  VAL B CG2 1 
ATOM   612  N N   . THR A 1 71  ? -29.466 -1.395  -14.404 1.00 13.69 ? 77  THR B N   1 
ATOM   613  C CA  . THR A 1 71  ? -29.971 -0.488  -13.356 1.00 14.86 ? 77  THR B CA  1 
ATOM   614  C C   . THR A 1 71  ? -31.458 -0.179  -13.586 1.00 14.84 ? 77  THR B C   1 
ATOM   615  O O   . THR A 1 71  ? -31.867 0.195   -14.695 1.00 15.18 ? 77  THR B O   1 
ATOM   616  C CB  . THR A 1 71  ? -29.165 0.808   -13.354 1.00 15.64 ? 77  THR B CB  1 
ATOM   617  O OG1 . THR A 1 71  ? -27.784 0.561   -13.070 1.00 18.90 ? 77  THR B OG1 1 
ATOM   618  C CG2 . THR A 1 71  ? -29.758 1.747   -12.320 1.00 18.16 ? 77  THR B CG2 1 
ATOM   619  N N   . GLN A 1 72  ? -32.213 -0.338  -12.495 1.00 17.56 ? 78  GLN B N   1 
ATOM   620  C CA  . GLN A 1 72  ? -33.642 -0.007  -12.258 1.00 20.58 ? 78  GLN B CA  1 
ATOM   621  C C   . GLN A 1 72  ? -34.586 -0.784  -13.173 1.00 21.25 ? 78  GLN B C   1 
ATOM   622  O O   . GLN A 1 72  ? -35.779 -0.457  -13.227 1.00 24.45 ? 78  GLN B O   1 
ATOM   623  C CB  . GLN A 1 72  ? -33.868 1.500   -12.321 1.00 28.84 ? 78  GLN B CB  1 
ATOM   624  C CG  . GLN A 1 72  ? -33.717 2.118   -13.695 1.00 36.31 ? 78  GLN B CG  1 
ATOM   625  C CD  . GLN A 1 72  ? -34.795 3.146   -13.955 1.00 39.91 ? 78  GLN B CD  1 
ATOM   626  O OE1 . GLN A 1 72  ? -34.548 4.199   -14.551 1.00 43.62 ? 78  GLN B OE1 1 
ATOM   627  N NE2 . GLN A 1 72  ? -36.016 2.804   -13.563 1.00 41.45 ? 78  GLN B NE2 1 
ATOM   628  N N   . LYS A 1 73  ? -34.137 -1.840  -13.840 1.00 14.86 ? 79  LYS B N   1 
ATOM   629  C CA  . LYS A 1 73  ? -35.083 -2.683  -14.569 1.00 13.02 ? 79  LYS B CA  1 
ATOM   630  C C   . LYS A 1 73  ? -35.754 -3.735  -13.689 1.00 12.66 ? 79  LYS B C   1 
ATOM   631  O O   . LYS A 1 73  ? -35.110 -4.259  -12.711 1.00 15.05 ? 79  LYS B O   1 
ATOM   632  C CB  . LYS A 1 73  ? -34.353 -3.360  -15.725 1.00 13.37 ? 79  LYS B CB  1 
ATOM   633  C CG  . LYS A 1 73  ? -33.891 -2.376  -16.821 1.00 13.04 ? 79  LYS B CG  1 
ATOM   634  C CD  . LYS A 1 73  ? -33.382 -3.019  -18.082 1.00 13.91 ? 79  LYS B CD  1 
ATOM   635  C CE  . LYS A 1 73  ? -34.467 -3.761  -18.833 1.00 12.91 ? 79  LYS B CE  1 
ATOM   636  N NZ  . LYS A 1 73  ? -35.645 -2.903  -19.200 1.00 11.98 ? 79  LYS B NZ  1 
ATOM   637  N N   . GLU A 1 74  ? -36.993 -4.033  -13.972 1.00 11.49 ? 80  GLU B N   1 
ATOM   638  C CA  . GLU A 1 74  ? -37.809 -5.047  -13.294 1.00 11.83 ? 80  GLU B CA  1 
ATOM   639  C C   . GLU A 1 74  ? -37.707 -6.412  -13.981 1.00 11.93 ? 80  GLU B C   1 
ATOM   640  O O   . GLU A 1 74  ? -38.099 -7.418  -13.410 1.00 12.24 ? 80  GLU B O   1 
ATOM   641  C CB  . GLU A 1 74  ? -39.293 -4.628  -13.272 1.00 13.10 ? 80  GLU B CB  1 
ATOM   642  C CG  . GLU A 1 74  ? -39.579 -3.371  -12.481 1.00 15.05 ? 80  GLU B CG  1 
ATOM   643  C CD  . GLU A 1 74  ? -41.047 -2.936  -12.623 1.00 15.90 ? 80  GLU B CD  1 
ATOM   644  O OE1 . GLU A 1 74  ? -41.465 -2.105  -11.795 1.00 18.50 ? 80  GLU B OE1 1 
ATOM   645  O OE2 . GLU A 1 74  ? -41.756 -3.472  -13.500 1.00 17.13 ? 80  GLU B OE2 1 
ATOM   646  N N   . ALA A 1 75  ? -37.347 -6.465  -15.265 1.00 11.14 ? 81  ALA B N   1 
ATOM   647  C CA  . ALA A 1 75  ? -37.375 -7.707  -16.037 1.00 11.01 ? 81  ALA B CA  1 
ATOM   648  C C   . ALA A 1 75  ? -36.378 -7.577  -17.177 1.00 11.81 ? 81  ALA B C   1 
ATOM   649  O O   . ALA A 1 75  ? -36.325 -6.515  -17.850 1.00 11.05 ? 81  ALA B O   1 
ATOM   650  C CB  . ALA A 1 75  ? -38.754 -8.031  -16.559 1.00 11.93 ? 81  ALA B CB  1 
ATOM   651  N N   . TRP A 1 76  ? -35.637 -8.656  -17.455 1.00 10.41 ? 82  TRP B N   1 
ATOM   652  C CA  . TRP A 1 76  ? -34.663 -8.719  -18.586 1.00 10.26 ? 82  TRP B CA  1 
ATOM   653  C C   . TRP A 1 76  ? -34.146 -10.137 -18.663 1.00 10.58 ? 82  TRP B C   1 
ATOM   654  O O   . TRP A 1 76  ? -34.253 -10.886 -17.703 1.00 10.90 ? 82  TRP B O   1 
ATOM   655  C CB  . TRP A 1 76  ? -33.496 -7.754  -18.372 1.00 10.65 ? 82  TRP B CB  1 
ATOM   656  C CG  . TRP A 1 76  ? -32.827 -7.781  -17.035 1.00 10.75 ? 82  TRP B CG  1 
ATOM   657  C CD1 . TRP A 1 76  ? -33.049 -6.936  -15.991 1.00 12.21 ? 82  TRP B CD1 1 
ATOM   658  C CD2 . TRP A 1 76  ? -31.868 -8.727  -16.503 1.00 10.96 ? 82  TRP B CD2 1 
ATOM   659  N NE1 . TRP A 1 76  ? -32.291 -7.222  -14.911 1.00 11.92 ? 82  TRP B NE1 1 
ATOM   660  C CE2 . TRP A 1 76  ? -31.550 -8.359  -15.190 1.00 11.96 ? 82  TRP B CE2 1 
ATOM   661  C CE3 . TRP A 1 76  ? -31.221 -9.869  -17.028 1.00 11.23 ? 82  TRP B CE3 1 
ATOM   662  C CZ2 . TRP A 1 76  ? -30.634 -9.020  -14.391 1.00 11.17 ? 82  TRP B CZ2 1 
ATOM   663  C CZ3 . TRP A 1 76  ? -30.348 -10.580 -16.221 1.00 12.19 ? 82  TRP B CZ3 1 
ATOM   664  C CH2 . TRP A 1 76  ? -30.049 -10.139 -14.926 1.00 12.34 ? 82  TRP B CH2 1 
ATOM   665  N N   . ASP A 1 77  ? -33.625 -10.490 -19.829 1.00 10.36 ? 83  ASP B N   1 
ATOM   666  C CA  . ASP A 1 77  ? -32.856 -11.755 -20.053 1.00 10.61 ? 83  ASP B CA  1 
ATOM   667  C C   . ASP A 1 77  ? -31.485 -11.330 -20.612 1.00 10.42 ? 83  ASP B C   1 
ATOM   668  O O   . ASP A 1 77  ? -31.450 -10.434 -21.506 1.00 10.37 ? 83  ASP B O   1 
ATOM   669  C CB  . ASP A 1 77  ? -33.522 -12.699 -21.056 1.00 12.10 ? 83  ASP B CB  1 
ATOM   670  C CG  . ASP A 1 77  ? -35.007 -12.965 -20.911 1.00 14.10 ? 83  ASP B CG  1 
ATOM   671  O OD1 . ASP A 1 77  ? -35.466 -12.948 -19.776 1.00 16.44 ? 83  ASP B OD1 1 
ATOM   672  O OD2 . ASP A 1 77  ? -35.689 -13.130 -21.941 1.00 15.78 ? 83  ASP B OD2 1 
ATOM   673  N N   . LEU A 1 78  ? -30.410 -12.031 -20.267 1.00 9.72  ? 84  LEU B N   1 
ATOM   674  C CA  . LEU A 1 78  ? -29.057 -11.786 -20.804 1.00 9.89  ? 84  LEU B CA  1 
ATOM   675  C C   . LEU A 1 78  ? -28.355 -13.119 -20.985 1.00 9.49  ? 84  LEU B C   1 
ATOM   676  O O   . LEU A 1 78  ? -28.484 -14.030 -20.157 1.00 9.72  ? 84  LEU B O   1 
ATOM   677  C CB  . LEU A 1 78  ? -28.236 -10.945 -19.843 1.00 10.37 ? 84  LEU B CB  1 
ATOM   678  C CG  . LEU A 1 78  ? -28.605 -9.482  -19.710 1.00 11.59 ? 84  LEU B CG  1 
ATOM   679  C CD1 . LEU A 1 78  ? -27.778 -8.859  -18.579 1.00 11.67 ? 84  LEU B CD1 1 
ATOM   680  C CD2 . LEU A 1 78  ? -28.415 -8.755  -21.005 1.00 11.75 ? 84  LEU B CD2 1 
ATOM   681  N N   . GLY A 1 79  ? -27.517 -13.154 -22.019 1.00 8.60  ? 85  GLY B N   1 
ATOM   682  C CA  . GLY A 1 79  ? -26.546 -14.256 -22.159 1.00 9.46  ? 85  GLY B CA  1 
ATOM   683  C C   . GLY A 1 79  ? -26.019 -14.322 -23.576 1.00 8.42  ? 85  GLY B C   1 
ATOM   684  O O   . GLY A 1 79  ? -25.639 -13.320 -24.159 1.00 9.03  ? 85  GLY B O   1 
ATOM   685  N N   A VAL A 1 80  ? -25.928 -15.551 -24.076 0.25 8.74  ? 86  VAL B N   1 
ATOM   686  N N   B VAL A 1 80  ? -26.016 -15.522 -24.118 0.25 9.13  ? 86  VAL B N   1 
ATOM   687  C CA  A VAL A 1 80  ? -25.550 -15.855 -25.485 0.25 8.87  ? 86  VAL B CA  1 
ATOM   688  C CA  B VAL A 1 80  ? -25.465 -15.782 -25.468 0.25 9.50  ? 86  VAL B CA  1 
ATOM   689  C C   A VAL A 1 80  ? -26.554 -16.819 -26.102 0.25 9.20  ? 86  VAL B C   1 
ATOM   690  C C   B VAL A 1 80  ? -26.353 -16.870 -26.094 0.25 9.64  ? 86  VAL B C   1 
ATOM   691  O O   A VAL A 1 80  ? -27.294 -17.544 -25.406 0.25 9.64  ? 86  VAL B O   1 
ATOM   692  O O   B VAL A 1 80  ? -26.913 -17.674 -25.349 0.25 10.16 ? 86  VAL B O   1 
ATOM   693  C CB  A VAL A 1 80  ? -24.147 -16.473 -25.632 0.25 9.31  ? 86  VAL B CB  1 
ATOM   694  C CB  B VAL A 1 80  ? -23.970 -16.151 -25.329 0.25 10.61 ? 86  VAL B CB  1 
ATOM   695  C CG1 A VAL A 1 80  ? -23.094 -15.456 -25.267 0.25 9.08  ? 86  VAL B CG1 1 
ATOM   696  C CG1 B VAL A 1 80  ? -23.792 -17.502 -24.664 0.25 10.44 ? 86  VAL B CG1 1 
ATOM   697  C CG2 A VAL A 1 80  ? -23.989 -17.735 -24.809 0.25 9.30  ? 86  VAL B CG2 1 
ATOM   698  C CG2 B VAL A 1 80  ? -23.227 -16.094 -26.644 0.25 11.25 ? 86  VAL B CG2 1 
ATOM   699  N N   . CYS A 1 81  ? -26.519 -16.879 -27.419 1.00 9.68  ? 87  CYS B N   1 
ATOM   700  C CA  . CYS A 1 81  ? -27.338 -17.864 -28.114 1.00 10.58 ? 87  CYS B CA  1 
ATOM   701  C C   . CYS A 1 81  ? -26.668 -18.286 -29.427 1.00 10.41 ? 87  CYS B C   1 
ATOM   702  O O   . CYS A 1 81  ? -25.779 -17.568 -29.947 1.00 10.63 ? 87  CYS B O   1 
ATOM   703  C CB  . CYS A 1 81  ? -28.751 -17.344 -28.390 1.00 11.82 ? 87  CYS B CB  1 
ATOM   704  S SG  . CYS A 1 81  ? -28.839 -15.936 -29.526 1.00 12.33 ? 87  CYS B SG  1 
ATOM   705  N N   A ARG A 1 82  ? -27.113 -19.408 -29.956 0.25 10.65 ? 88  ARG B N   1 
ATOM   706  N N   B ARG A 1 82  ? -27.079 -19.430 -29.946 0.25 10.03 ? 88  ARG B N   1 
ATOM   707  C CA  A ARG A 1 82  ? -26.722 -19.815 -31.324 0.25 11.89 ? 88  ARG B CA  1 
ATOM   708  C CA  B ARG A 1 82  ? -26.630 -19.896 -31.286 0.25 10.76 ? 88  ARG B CA  1 
ATOM   709  C C   A ARG A 1 82  ? -27.119 -18.741 -32.332 0.25 11.63 ? 88  ARG B C   1 
ATOM   710  C C   B ARG A 1 82  ? -27.161 -18.930 -32.365 0.25 11.01 ? 88  ARG B C   1 
ATOM   711  O O   A ARG A 1 82  ? -28.148 -18.081 -32.194 0.25 11.24 ? 88  ARG B O   1 
ATOM   712  O O   B ARG A 1 82  ? -28.354 -18.518 -32.267 0.25 10.48 ? 88  ARG B O   1 
ATOM   713  C CB  A ARG A 1 82  ? -27.413 -21.119 -31.695 0.25 13.02 ? 88  ARG B CB  1 
ATOM   714  C CB  B ARG A 1 82  ? -27.121 -21.335 -31.484 0.25 11.08 ? 88  ARG B CB  1 
ATOM   715  C CG  A ARG A 1 82  ? -26.923 -22.268 -30.843 0.25 14.25 ? 88  ARG B CG  1 
ATOM   716  C CG  B ARG A 1 82  ? -26.538 -22.016 -32.713 0.25 11.27 ? 88  ARG B CG  1 
ATOM   717  C CD  A ARG A 1 82  ? -27.502 -23.585 -31.291 0.25 15.78 ? 88  ARG B CD  1 
ATOM   718  C CD  B ARG A 1 82  ? -27.064 -23.413 -32.935 0.25 11.48 ? 88  ARG B CD  1 
ATOM   719  N NE  A ARG A 1 82  ? -27.132 -24.629 -30.348 0.25 15.44 ? 88  ARG B NE  1 
ATOM   720  N NE  B ARG A 1 82  ? -26.877 -24.214 -31.747 0.25 11.65 ? 88  ARG B NE  1 
ATOM   721  C CZ  A ARG A 1 82  ? -27.944 -25.605 -29.998 0.25 15.59 ? 88  ARG B CZ  1 
ATOM   722  C CZ  B ARG A 1 82  ? -27.860 -24.830 -31.077 0.25 11.79 ? 88  ARG B CZ  1 
ATOM   723  N NH1 A ARG A 1 82  ? -29.163 -25.637 -30.500 0.25 16.07 ? 88  ARG B NH1 1 
ATOM   724  N NH1 B ARG A 1 82  ? -29.097 -24.794 -31.515 0.25 12.97 ? 88  ARG B NH1 1 
ATOM   725  N NH2 A ARG A 1 82  ? -27.532 -26.522 -29.143 0.25 17.45 ? 88  ARG B NH2 1 
ATOM   726  N NH2 B ARG A 1 82  ? -27.594 -25.492 -29.966 0.25 11.43 ? 88  ARG B NH2 1 
ATOM   727  N N   . ASP A 1 83  ? -26.337 -18.613 -33.387 1.00 11.93 ? 89  ASP B N   1 
ATOM   728  C CA  . ASP A 1 83  ? -26.736 -17.706 -34.481 1.00 13.57 ? 89  ASP B CA  1 
ATOM   729  C C   . ASP A 1 83  ? -28.038 -18.215 -35.084 1.00 15.03 ? 89  ASP B C   1 
ATOM   730  O O   . ASP A 1 83  ? -28.792 -17.366 -35.611 1.00 18.00 ? 89  ASP B O   1 
ATOM   731  C CB  . ASP A 1 83  ? -25.599 -17.641 -35.501 1.00 15.75 ? 89  ASP B CB  1 
ATOM   732  C CG  . ASP A 1 83  ? -25.216 -18.912 -36.198 1.00 18.58 ? 89  ASP B CG  1 
ATOM   733  O OD1 . ASP A 1 83  ? -25.687 -20.007 -35.818 1.00 21.19 ? 89  ASP B OD1 1 
ATOM   734  O OD2 . ASP A 1 83  ? -24.431 -18.772 -37.200 1.00 23.07 ? 89  ASP B OD2 1 
ATOM   735  N N   . SER A 1 84  ? -28.323 -19.518 -35.077 1.00 13.16 ? 90  SER B N   1 
ATOM   736  C CA  . SER A 1 84  ? -29.499 -20.070 -35.780 1.00 15.23 ? 90  SER B CA  1 
ATOM   737  C C   . SER A 1 84  ? -30.757 -20.238 -34.913 1.00 13.34 ? 90  SER B C   1 
ATOM   738  O O   . SER A 1 84  ? -31.654 -20.959 -35.294 1.00 15.18 ? 90  SER B O   1 
ATOM   739  C CB  . SER A 1 84  ? -29.093 -21.354 -36.429 1.00 17.71 ? 90  SER B CB  1 
ATOM   740  O OG  . SER A 1 84  ? -28.635 -22.237 -35.497 1.00 17.83 ? 90  SER B OG  1 
ATOM   741  N N   . VAL A 1 85  ? -30.827 -19.602 -33.735 1.00 12.37 ? 91  VAL B N   1 
ATOM   742  C CA  . VAL A 1 85  ? -32.047 -19.713 -32.916 1.00 12.87 ? 91  VAL B CA  1 
ATOM   743  C C   . VAL A 1 85  ? -33.254 -19.211 -33.713 1.00 12.65 ? 91  VAL B C   1 
ATOM   744  O O   . VAL A 1 85  ? -33.146 -18.274 -34.533 1.00 13.73 ? 91  VAL B O   1 
ATOM   745  C CB  . VAL A 1 85  ? -31.950 -18.971 -31.571 1.00 12.64 ? 91  VAL B CB  1 
ATOM   746  C CG1 . VAL A 1 85  ? -30.940 -19.638 -30.660 1.00 12.29 ? 91  VAL B CG1 1 
ATOM   747  C CG2 . VAL A 1 85  ? -31.710 -17.490 -31.703 1.00 12.29 ? 91  VAL B CG2 1 
ATOM   748  N N   . GLN A 1 86  ? -34.376 -19.832 -33.402 1.00 14.70 ? 92  GLN B N   1 
ATOM   749  C CA  . GLN A 1 86  ? -35.719 -19.391 -33.879 1.00 15.98 ? 92  GLN B CA  1 
ATOM   750  C C   . GLN A 1 86  ? -35.934 -17.912 -33.565 1.00 15.04 ? 92  GLN B C   1 
ATOM   751  O O   . GLN A 1 86  ? -35.656 -17.486 -32.458 1.00 15.17 ? 92  GLN B O   1 
ATOM   752  C CB  . GLN A 1 86  ? -36.741 -20.265 -33.146 1.00 18.04 ? 92  GLN B CB  1 
ATOM   753  C CG  . GLN A 1 86  ? -38.220 -19.978 -33.425 1.00 20.80 ? 92  GLN B CG  1 
ATOM   754  C CD  . GLN A 1 86  ? -39.120 -20.831 -32.537 1.00 23.12 ? 92  GLN B CD  1 
ATOM   755  O OE1 . GLN A 1 86  ? -38.691 -21.810 -31.880 1.00 25.22 ? 92  GLN B OE1 1 
ATOM   756  N NE2 . GLN A 1 86  ? -40.410 -20.482 -32.463 1.00 25.13 ? 92  GLN B NE2 1 
ATOM   757  N N   . ARG A 1 87  ? -36.515 -17.172 -34.496 1.00 13.96 ? 93  ARG B N   1 
ATOM   758  C CA  . ARG A 1 87  ? -36.792 -15.715 -34.379 1.00 13.62 ? 93  ARG B CA  1 
ATOM   759  C C   . ARG A 1 87  ? -38.303 -15.493 -34.242 1.00 15.22 ? 93  ARG B C   1 
ATOM   760  O O   . ARG A 1 87  ? -38.670 -14.499 -33.616 1.00 14.75 ? 93  ARG B O   1 
ATOM   761  C CB  . ARG A 1 87  ? -36.262 -14.887 -35.541 1.00 14.49 ? 93  ARG B CB  1 
ATOM   762  C CG  . ARG A 1 87  ? -34.790 -15.103 -35.874 1.00 13.59 ? 93  ARG B CG  1 
ATOM   763  C CD  . ARG A 1 87  ? -33.895 -14.890 -34.634 1.00 14.58 ? 93  ARG B CD  1 
ATOM   764  N NE  . ARG A 1 87  ? -32.508 -15.315 -34.950 1.00 15.72 ? 93  ARG B NE  1 
ATOM   765  C CZ  . ARG A 1 87  ? -31.595 -14.588 -35.564 1.00 15.22 ? 93  ARG B CZ  1 
ATOM   766  N NH1 . ARG A 1 87  ? -31.870 -13.362 -35.932 1.00 17.52 ? 93  ARG B NH1 1 
ATOM   767  N NH2 . ARG A 1 87  ? -30.425 -15.114 -35.866 1.00 18.18 ? 93  ARG B NH2 1 
ATOM   768  N N   . LYS A 1 88  ? -39.140 -16.356 -34.830 1.00 14.82 ? 94  LYS B N   1 
ATOM   769  C CA  . LYS A 1 88  ? -40.595 -16.073 -34.958 1.00 14.97 ? 94  LYS B CA  1 
ATOM   770  C C   . LYS A 1 88  ? -41.400 -16.972 -34.057 1.00 16.98 ? 94  LYS B C   1 
ATOM   771  O O   . LYS A 1 88  ? -41.053 -18.158 -33.915 1.00 19.03 ? 94  LYS B O   1 
ATOM   772  C CB  . LYS A 1 88  ? -41.028 -16.225 -36.419 1.00 15.93 ? 94  LYS B CB  1 
ATOM   773  C CG  . LYS A 1 88  ? -40.193 -15.476 -37.418 1.00 16.98 ? 94  LYS B CG  1 
ATOM   774  C CD  . LYS A 1 88  ? -40.143 -13.963 -37.186 1.00 18.19 ? 94  LYS B CD  1 
ATOM   775  C CE  . LYS A 1 88  ? -39.390 -13.287 -38.286 1.00 18.44 ? 94  LYS B CE  1 
ATOM   776  N NZ  . LYS A 1 88  ? -39.312 -11.818 -38.096 1.00 19.82 ? 94  LYS B NZ  1 
ATOM   777  N N   . GLY A 1 89  ? -42.476 -16.465 -33.486 1.00 16.79 ? 95  GLY B N   1 
ATOM   778  C CA  . GLY A 1 89  ? -43.355 -17.268 -32.642 1.00 16.89 ? 95  GLY B CA  1 
ATOM   779  C C   . GLY A 1 89  ? -42.856 -17.453 -31.229 1.00 18.33 ? 95  GLY B C   1 
ATOM   780  O O   . GLY A 1 89  ? -41.867 -16.721 -30.827 1.00 18.47 ? 95  GLY B O   1 
ATOM   781  N N   . GLN A 1 90  ? -43.510 -18.354 -30.507 1.00 19.10 ? 96  GLN B N   1 
ATOM   782  C CA  . GLN A 1 90  ? -43.241 -18.603 -29.086 1.00 20.89 ? 96  GLN B CA  1 
ATOM   783  C C   . GLN A 1 90  ? -42.155 -19.658 -28.928 1.00 19.46 ? 96  GLN B C   1 
ATOM   784  O O   . GLN A 1 90  ? -42.062 -20.602 -29.758 1.00 20.50 ? 96  GLN B O   1 
ATOM   785  C CB  . GLN A 1 90  ? -44.537 -19.026 -28.390 1.00 25.08 ? 96  GLN B CB  1 
ATOM   786  C CG  . GLN A 1 90  ? -45.579 -17.932 -28.495 1.00 30.93 ? 96  GLN B CG  1 
ATOM   787  C CD  . GLN A 1 90  ? -46.937 -18.393 -28.065 1.00 42.01 ? 96  GLN B CD  1 
ATOM   788  O OE1 . GLN A 1 90  ? -47.324 -18.202 -26.914 1.00 52.70 ? 96  GLN B OE1 1 
ATOM   789  N NE2 . GLN A 1 90  ? -47.653 -19.003 -28.999 1.00 45.41 ? 96  GLN B NE2 1 
ATOM   790  N N   . PHE A 1 91  ? -41.314 -19.468 -27.926 1.00 16.98 ? 97  PHE B N   1 
ATOM   791  C CA  . PHE A 1 91  ? -40.266 -20.440 -27.572 1.00 16.45 ? 97  PHE B CA  1 
ATOM   792  C C   . PHE A 1 91  ? -39.771 -20.162 -26.162 1.00 16.14 ? 97  PHE B C   1 
ATOM   793  O O   . PHE A 1 91  ? -39.924 -19.063 -25.637 1.00 17.89 ? 97  PHE B O   1 
ATOM   794  C CB  . PHE A 1 91  ? -39.085 -20.386 -28.546 1.00 16.10 ? 97  PHE B CB  1 
ATOM   795  C CG  . PHE A 1 91  ? -38.466 -19.019 -28.680 1.00 15.98 ? 97  PHE B CG  1 
ATOM   796  C CD1 . PHE A 1 91  ? -37.468 -18.608 -27.806 1.00 16.99 ? 97  PHE B CD1 1 
ATOM   797  C CD2 . PHE A 1 91  ? -38.819 -18.168 -29.705 1.00 15.91 ? 97  PHE B CD2 1 
ATOM   798  C CE1 . PHE A 1 91  ? -36.872 -17.368 -27.938 1.00 14.69 ? 97  PHE B CE1 1 
ATOM   799  C CE2 . PHE A 1 91  ? -38.205 -16.930 -29.861 1.00 14.89 ? 97  PHE B CE2 1 
ATOM   800  C CZ  . PHE A 1 91  ? -37.233 -16.534 -28.970 1.00 15.44 ? 97  PHE B CZ  1 
ATOM   801  N N   A SER A 1 92  ? -39.198 -21.178 -25.523 0.25 16.81 ? 98  SER B N   1 
ATOM   802  N N   B SER A 1 92  ? -39.175 -21.197 -25.572 0.25 16.24 ? 98  SER B N   1 
ATOM   803  C CA  A SER A 1 92  ? -38.578 -21.038 -24.183 0.25 17.04 ? 98  SER B CA  1 
ATOM   804  C CA  B SER A 1 92  ? -38.540 -21.177 -24.233 0.25 16.17 ? 98  SER B CA  1 
ATOM   805  C C   A SER A 1 92  ? -37.067 -20.869 -24.342 0.25 15.70 ? 98  SER B C   1 
ATOM   806  C C   B SER A 1 92  ? -37.051 -20.843 -24.388 0.25 15.10 ? 98  SER B C   1 
ATOM   807  O O   A SER A 1 92  ? -36.477 -21.413 -25.292 0.25 15.68 ? 98  SER B O   1 
ATOM   808  O O   B SER A 1 92  ? -36.458 -21.219 -25.432 0.25 14.86 ? 98  SER B O   1 
ATOM   809  C CB  A SER A 1 92  ? -38.877 -22.201 -23.292 0.25 19.70 ? 98  SER B CB  1 
ATOM   810  C CB  B SER A 1 92  ? -38.727 -22.503 -23.532 0.25 17.53 ? 98  SER B CB  1 
ATOM   811  O OG  A SER A 1 92  ? -38.593 -23.408 -23.969 0.25 22.43 ? 98  SER B OG  1 
ATOM   812  O OG  B SER A 1 92  ? -40.102 -22.707 -23.211 0.25 20.08 ? 98  SER B OG  1 
ATOM   813  N N   . LEU A 1 93  ? -36.475 -20.149 -23.400 1.00 14.65 ? 99  LEU B N   1 
ATOM   814  C CA  . LEU A 1 93  ? -35.017 -19.969 -23.329 1.00 14.58 ? 99  LEU B CA  1 
ATOM   815  C C   . LEU A 1 93  ? -34.428 -21.177 -22.633 1.00 14.54 ? 99  LEU B C   1 
ATOM   816  O O   . LEU A 1 93  ? -34.503 -21.318 -21.426 1.00 16.42 ? 99  LEU B O   1 
ATOM   817  C CB  . LEU A 1 93  ? -34.669 -18.688 -22.574 1.00 14.79 ? 99  LEU B CB  1 
ATOM   818  C CG  . LEU A 1 93  ? -35.159 -17.395 -23.190 1.00 15.88 ? 99  LEU B CG  1 
ATOM   819  C CD1 . LEU A 1 93  ? -34.818 -16.209 -22.303 1.00 16.11 ? 99  LEU B CD1 1 
ATOM   820  C CD2 . LEU A 1 93  ? -34.585 -17.179 -24.577 1.00 17.62 ? 99  LEU B CD2 1 
ATOM   821  N N   . SER A 1 94  ? -33.730 -22.045 -23.365 1.00 13.51 ? 100 SER B N   1 
ATOM   822  C CA  . SER A 1 94  ? -33.127 -23.272 -22.829 1.00 13.90 ? 100 SER B CA  1 
ATOM   823  C C   . SER A 1 94  ? -31.936 -23.618 -23.693 1.00 12.18 ? 100 SER B C   1 
ATOM   824  O O   . SER A 1 94  ? -31.929 -23.268 -24.881 1.00 12.29 ? 100 SER B O   1 
ATOM   825  C CB  . SER A 1 94  ? -34.083 -24.460 -22.825 1.00 15.55 ? 100 SER B CB  1 
ATOM   826  O OG  . SER A 1 94  ? -34.423 -24.805 -24.154 1.00 18.98 ? 100 SER B OG  1 
ATOM   827  N N   . PRO A 1 95  ? -30.981 -24.364 -23.172 1.00 11.95 ? 101 PRO B N   1 
ATOM   828  C CA  . PRO A 1 95  ? -29.878 -24.856 -23.996 1.00 13.21 ? 101 PRO B CA  1 
ATOM   829  C C   . PRO A 1 95  ? -30.370 -25.736 -25.145 1.00 12.88 ? 101 PRO B C   1 
ATOM   830  O O   . PRO A 1 95  ? -29.781 -25.615 -26.254 1.00 14.11 ? 101 PRO B O   1 
ATOM   831  C CB  . PRO A 1 95  ? -28.956 -25.600 -23.009 1.00 14.08 ? 101 PRO B CB  1 
ATOM   832  C CG  . PRO A 1 95  ? -29.252 -24.907 -21.683 1.00 14.83 ? 101 PRO B CG  1 
ATOM   833  C CD  . PRO A 1 95  ? -30.734 -24.621 -21.755 1.00 13.60 ? 101 PRO B CD  1 
ATOM   834  N N   . GLU A 1 96  ? -31.444 -26.498 -24.947 1.00 14.54 ? 102 GLU B N   1 
ATOM   835  C CA  . GLU A 1 96  ? -32.003 -27.330 -26.058 1.00 17.58 ? 102 GLU B CA  1 
ATOM   836  C C   . GLU A 1 96  ? -32.412 -26.442 -27.235 1.00 17.26 ? 102 GLU B C   1 
ATOM   837  O O   . GLU A 1 96  ? -32.323 -26.873 -28.418 1.00 19.33 ? 102 GLU B O   1 
ATOM   838  C CB  . GLU A 1 96  ? -33.135 -28.192 -25.516 1.00 22.31 ? 102 GLU B CB  1 
ATOM   839  C CG  . GLU A 1 96  ? -32.697 -28.977 -24.297 1.00 32.12 ? 102 GLU B CG  1 
ATOM   840  C CD  . GLU A 1 96  ? -33.150 -28.402 -22.962 1.00 38.19 ? 102 GLU B CD  1 
ATOM   841  O OE1 . GLU A 1 96  ? -32.363 -27.614 -22.321 1.00 25.30 ? 102 GLU B OE1 1 
ATOM   842  O OE2 . GLU A 1 96  ? -34.281 -28.806 -22.528 1.00 45.42 ? 102 GLU B OE2 1 
ATOM   843  N N   . ASN A 1 97  ? -32.910 -25.231 -26.988 1.00 14.63 ? 103 ASN B N   1 
ATOM   844  C CA  . ASN A 1 97  ? -33.316 -24.286 -28.047 1.00 14.31 ? 103 ASN B CA  1 
ATOM   845  C C   . ASN A 1 97  ? -32.164 -23.355 -28.446 1.00 12.91 ? 103 ASN B C   1 
ATOM   846  O O   . ASN A 1 97  ? -32.381 -22.508 -29.297 1.00 14.29 ? 103 ASN B O   1 
ATOM   847  C CB  . ASN A 1 97  ? -34.538 -23.463 -27.596 1.00 15.33 ? 103 ASN B CB  1 
ATOM   848  C CG  . ASN A 1 97  ? -35.820 -24.252 -27.555 1.00 18.63 ? 103 ASN B CG  1 
ATOM   849  O OD1 . ASN A 1 97  ? -35.921 -25.316 -28.195 1.00 20.76 ? 103 ASN B OD1 1 
ATOM   850  N ND2 . ASN A 1 97  ? -36.786 -23.805 -26.762 1.00 19.57 ? 103 ASN B ND2 1 
ATOM   851  N N   . GLY A 1 98  ? -30.946 -23.530 -27.923 1.00 11.55 ? 104 GLY B N   1 
ATOM   852  C CA  . GLY A 1 98  ? -29.802 -22.724 -28.345 1.00 11.10 ? 104 GLY B CA  1 
ATOM   853  C C   . GLY A 1 98  ? -29.545 -21.456 -27.547 1.00 10.32 ? 104 GLY B C   1 
ATOM   854  O O   . GLY A 1 98  ? -28.896 -20.559 -28.043 1.00 11.00 ? 104 GLY B O   1 
ATOM   855  N N   . PHE A 1 99  ? -29.998 -21.412 -26.282 1.00 10.83 ? 105 PHE B N   1 
ATOM   856  C CA  . PHE A 1 99  ? -29.802 -20.227 -25.410 1.00 10.18 ? 105 PHE B CA  1 
ATOM   857  C C   . PHE A 1 99  ? -29.104 -20.587 -24.106 1.00 9.62  ? 105 PHE B C   1 
ATOM   858  O O   . PHE A 1 99  ? -29.551 -21.581 -23.463 1.00 11.18 ? 105 PHE B O   1 
ATOM   859  C CB  . PHE A 1 99  ? -31.152 -19.573 -25.044 1.00 10.73 ? 105 PHE B CB  1 
ATOM   860  C CG  . PHE A 1 99  ? -31.950 -19.077 -26.235 1.00 10.61 ? 105 PHE B CG  1 
ATOM   861  C CD1 . PHE A 1 99  ? -32.853 -19.901 -26.880 1.00 11.43 ? 105 PHE B CD1 1 
ATOM   862  C CD2 . PHE A 1 99  ? -31.832 -17.766 -26.672 1.00 11.21 ? 105 PHE B CD2 1 
ATOM   863  C CE1 . PHE A 1 99  ? -33.563 -19.448 -27.979 1.00 12.67 ? 105 PHE B CE1 1 
ATOM   864  C CE2 . PHE A 1 99  ? -32.565 -17.313 -27.747 1.00 11.92 ? 105 PHE B CE2 1 
ATOM   865  C CZ  . PHE A 1 99  ? -33.427 -18.156 -28.375 1.00 11.24 ? 105 PHE B CZ  1 
ATOM   866  N N   . TRP A 1 100 ? -28.181 -19.737 -23.679 1.00 9.06  ? 106 TRP B N   1 
ATOM   867  C CA  . TRP A 1 100 ? -27.483 -19.848 -22.372 1.00 8.94  ? 106 TRP B CA  1 
ATOM   868  C C   . TRP A 1 100 ? -27.651 -18.505 -21.682 1.00 8.86  ? 106 TRP B C   1 
ATOM   869  O O   . TRP A 1 100 ? -26.908 -17.551 -21.999 1.00 9.26  ? 106 TRP B O   1 
ATOM   870  C CB  . TRP A 1 100 ? -26.012 -20.284 -22.541 1.00 9.53  ? 106 TRP B CB  1 
ATOM   871  C CG  . TRP A 1 100 ? -25.924 -21.655 -23.142 1.00 9.60  ? 106 TRP B CG  1 
ATOM   872  C CD1 . TRP A 1 100 ? -25.821 -22.851 -22.487 1.00 10.94 ? 106 TRP B CD1 1 
ATOM   873  C CD2 . TRP A 1 100 ? -25.946 -21.976 -24.561 1.00 9.86  ? 106 TRP B CD2 1 
ATOM   874  N NE1 . TRP A 1 100 ? -25.832 -23.898 -23.401 1.00 11.05 ? 106 TRP B NE1 1 
ATOM   875  C CE2 . TRP A 1 100 ? -25.918 -23.378 -24.655 1.00 10.80 ? 106 TRP B CE2 1 
ATOM   876  C CE3 . TRP A 1 100 ? -26.034 -21.213 -25.719 1.00 10.07 ? 106 TRP B CE3 1 
ATOM   877  C CZ2 . TRP A 1 100 ? -25.986 -24.023 -25.904 1.00 11.45 ? 106 TRP B CZ2 1 
ATOM   878  C CZ3 . TRP A 1 100 ? -26.074 -21.866 -26.938 1.00 12.14 ? 106 TRP B CZ3 1 
ATOM   879  C CH2 . TRP A 1 100 ? -26.058 -23.231 -27.018 1.00 11.19 ? 106 TRP B CH2 1 
ATOM   880  N N   . THR A 1 101 ? -28.646 -18.413 -20.785 1.00 9.49  ? 107 THR B N   1 
ATOM   881  C CA  . THR A 1 101 ? -29.154 -17.105 -20.320 1.00 9.28  ? 107 THR B CA  1 
ATOM   882  C C   . THR A 1 101 ? -29.494 -17.174 -18.824 1.00 9.28  ? 107 THR B C   1 
ATOM   883  O O   . THR A 1 101 ? -29.746 -18.242 -18.275 1.00 9.64  ? 107 THR B O   1 
ATOM   884  C CB  . THR A 1 101 ? -30.418 -16.682 -21.068 1.00 9.97  ? 107 THR B CB  1 
ATOM   885  O OG1 . THR A 1 101 ? -31.467 -17.613 -20.853 1.00 11.06 ? 107 THR B OG1 1 
ATOM   886  C CG2 . THR A 1 101 ? -30.138 -16.506 -22.549 1.00 10.36 ? 107 THR B CG2 1 
ATOM   887  N N   . ILE A 1 102 ? -29.519 -15.992 -18.216 1.00 9.62  ? 108 ILE B N   1 
ATOM   888  C CA  . ILE A 1 102 ? -30.164 -15.774 -16.886 1.00 9.18  ? 108 ILE B CA  1 
ATOM   889  C C   . ILE A 1 102 ? -31.173 -14.644 -17.076 1.00 9.60  ? 108 ILE B C   1 
ATOM   890  O O   . ILE A 1 102 ? -31.092 -13.874 -18.075 1.00 9.79  ? 108 ILE B O   1 
ATOM   891  C CB  . ILE A 1 102 ? -29.142 -15.453 -15.767 1.00 10.09 ? 108 ILE B CB  1 
ATOM   892  C CG1 . ILE A 1 102 ? -28.436 -14.106 -15.954 1.00 10.93 ? 108 ILE B CG1 1 
ATOM   893  C CG2 . ILE A 1 102 ? -28.116 -16.571 -15.686 1.00 11.04 ? 108 ILE B CG2 1 
ATOM   894  C CD1 . ILE A 1 102 ? -27.610 -13.629 -14.781 1.00 11.34 ? 108 ILE B CD1 1 
ATOM   895  N N   . TRP A 1 103 ? -32.013 -14.492 -16.074 1.00 9.71  ? 109 TRP B N   1 
ATOM   896  C CA  . TRP A 1 103 ? -33.053 -13.446 -16.133 1.00 10.21 ? 109 TRP B CA  1 
ATOM   897  C C   . TRP A 1 103 ? -33.471 -13.001 -14.761 1.00 10.77 ? 109 TRP B C   1 
ATOM   898  O O   . TRP A 1 103 ? -33.292 -13.682 -13.739 1.00 10.87 ? 109 TRP B O   1 
ATOM   899  C CB  . TRP A 1 103 ? -34.232 -13.859 -16.954 1.00 12.17 ? 109 TRP B CB  1 
ATOM   900  C CG  . TRP A 1 103 ? -35.017 -15.001 -16.452 1.00 13.96 ? 109 TRP B CG  1 
ATOM   901  C CD1 . TRP A 1 103 ? -35.924 -14.999 -15.434 1.00 14.30 ? 109 TRP B CD1 1 
ATOM   902  C CD2 . TRP A 1 103 ? -35.127 -16.259 -17.106 1.00 14.82 ? 109 TRP B CD2 1 
ATOM   903  N NE1 . TRP A 1 103 ? -36.568 -16.189 -15.389 1.00 17.68 ? 109 TRP B NE1 1 
ATOM   904  C CE2 . TRP A 1 103 ? -36.111 -16.983 -16.400 1.00 15.75 ? 109 TRP B CE2 1 
ATOM   905  C CE3 . TRP A 1 103 ? -34.506 -16.818 -18.228 1.00 15.97 ? 109 TRP B CE3 1 
ATOM   906  C CZ2 . TRP A 1 103 ? -36.462 -18.277 -16.769 1.00 19.57 ? 109 TRP B CZ2 1 
ATOM   907  C CZ3 . TRP A 1 103 ? -34.883 -18.082 -18.600 1.00 17.74 ? 109 TRP B CZ3 1 
ATOM   908  C CH2 . TRP A 1 103 ? -35.844 -18.777 -17.894 1.00 17.88 ? 109 TRP B CH2 1 
ATOM   909  N N   . LEU A 1 104 ? -34.088 -11.800 -14.754 1.00 11.19 ? 110 LEU B N   1 
ATOM   910  C CA  . LEU A 1 104 ? -34.870 -11.258 -13.635 1.00 10.82 ? 110 LEU B CA  1 
ATOM   911  C C   . LEU A 1 104 ? -36.332 -11.232 -14.048 1.00 10.34 ? 110 LEU B C   1 
ATOM   912  O O   . LEU A 1 104 ? -36.649 -10.736 -15.124 1.00 11.16 ? 110 LEU B O   1 
ATOM   913  C CB  . LEU A 1 104 ? -34.411 -9.854  -13.340 1.00 11.25 ? 110 LEU B CB  1 
ATOM   914  C CG  . LEU A 1 104 ? -35.233 -9.070  -12.300 1.00 11.44 ? 110 LEU B CG  1 
ATOM   915  C CD1 . LEU A 1 104 ? -35.241 -9.758  -10.933 1.00 12.86 ? 110 LEU B CD1 1 
ATOM   916  C CD2 . LEU A 1 104 ? -34.770 -7.629  -12.215 1.00 13.44 ? 110 LEU B CD2 1 
ATOM   917  N N   . TRP A 1 105 ? -37.213 -11.693 -13.158 1.00 11.68 ? 111 TRP B N   1 
ATOM   918  C CA  . TRP A 1 105 ? -38.667 -11.690 -13.406 1.00 13.30 ? 111 TRP B CA  1 
ATOM   919  C C   . TRP A 1 105 ? -39.363 -11.727 -12.054 1.00 14.32 ? 111 TRP B C   1 
ATOM   920  O O   . TRP A 1 105 ? -39.072 -12.623 -11.226 1.00 14.12 ? 111 TRP B O   1 
ATOM   921  C CB  . TRP A 1 105 ? -39.032 -12.929 -14.217 1.00 16.84 ? 111 TRP B CB  1 
ATOM   922  C CG  . TRP A 1 105 ? -40.484 -13.152 -14.351 1.00 20.87 ? 111 TRP B CG  1 
ATOM   923  C CD1 . TRP A 1 105 ? -41.268 -14.108 -13.765 1.00 22.12 ? 111 TRP B CD1 1 
ATOM   924  C CD2 . TRP A 1 105 ? -41.327 -12.355 -15.172 1.00 21.18 ? 111 TRP B CD2 1 
ATOM   925  N NE1 . TRP A 1 105 ? -42.551 -13.951 -14.196 1.00 21.45 ? 111 TRP B NE1 1 
ATOM   926  C CE2 . TRP A 1 105 ? -42.625 -12.893 -15.050 1.00 18.91 ? 111 TRP B CE2 1 
ATOM   927  C CE3 . TRP A 1 105 ? -41.125 -11.258 -16.000 1.00 20.37 ? 111 TRP B CE3 1 
ATOM   928  C CZ2 . TRP A 1 105 ? -43.715 -12.378 -15.735 1.00 24.25 ? 111 TRP B CZ2 1 
ATOM   929  C CZ3 . TRP A 1 105 ? -42.214 -10.711 -16.636 1.00 25.91 ? 111 TRP B CZ3 1 
ATOM   930  C CH2 . TRP A 1 105 ? -43.498 -11.236 -16.473 1.00 25.88 ? 111 TRP B CH2 1 
ATOM   931  N N   . GLN A 1 106 ? -40.232 -10.732 -11.792 1.00 13.30 ? 112 GLN B N   1 
ATOM   932  C CA  . GLN A 1 106 ? -41.054 -10.744 -10.535 1.00 13.93 ? 112 GLN B CA  1 
ATOM   933  C C   . GLN A 1 106 ? -40.172 -10.944 -9.327  1.00 14.79 ? 112 GLN B C   1 
ATOM   934  O O   . GLN A 1 106 ? -40.519 -11.787 -8.426  1.00 16.25 ? 112 GLN B O   1 
ATOM   935  C CB  . GLN A 1 106 ? -42.175 -11.766 -10.675 1.00 15.58 ? 112 GLN B CB  1 
ATOM   936  C CG  . GLN A 1 106 ? -43.104 -11.430 -11.822 1.00 17.30 ? 112 GLN B CG  1 
ATOM   937  C CD  . GLN A 1 106 ? -44.388 -12.214 -11.894 1.00 18.80 ? 112 GLN B CD  1 
ATOM   938  O OE1 . GLN A 1 106 ? -45.329 -11.845 -12.635 1.00 22.01 ? 112 GLN B OE1 1 
ATOM   939  N NE2 . GLN A 1 106 ? -44.464 -13.279 -11.110 1.00 17.41 ? 112 GLN B NE2 1 
ATOM   940  N N   . ASP A 1 107 ? -39.144 -10.145 -9.211  1.00 15.40 ? 113 ASP B N   1 
ATOM   941  C CA  . ASP A 1 107 ? -38.305 -10.060 -8.005  1.00 20.36 ? 113 ASP B CA  1 
ATOM   942  C C   . ASP A 1 107 ? -37.497 -11.344 -7.753  1.00 21.22 ? 113 ASP B C   1 
ATOM   943  O O   . ASP A 1 107 ? -36.812 -11.376 -6.691  1.00 26.90 ? 113 ASP B O   1 
ATOM   944  C CB  . ASP A 1 107 ? -39.221 -9.794  -6.800  1.00 25.58 ? 113 ASP B CB  1 
ATOM   945  C CG  . ASP A 1 107 ? -38.585 -9.063  -5.656  1.00 35.77 ? 113 ASP B CG  1 
ATOM   946  O OD1 . ASP A 1 107 ? -37.586 -8.327  -5.877  1.00 40.31 ? 113 ASP B OD1 1 
ATOM   947  O OD2 . ASP A 1 107 ? -39.149 -9.204  -4.534  1.00 51.27 ? 113 ASP B OD2 1 
ATOM   948  N N   . SER A 1 108 ? -37.412 -12.271 -8.704  1.00 16.33 ? 114 SER B N   1 
ATOM   949  C CA  . SER A 1 108 ? -36.516 -13.460 -8.591  1.00 16.64 ? 114 SER B CA  1 
ATOM   950  C C   . SER A 1 108 ? -35.569 -13.541 -9.785  1.00 14.52 ? 114 SER B C   1 
ATOM   951  O O   . SER A 1 108 ? -35.952 -13.218 -10.954 1.00 14.56 ? 114 SER B O   1 
ATOM   952  C CB  . SER A 1 108 ? -37.295 -14.698 -8.334  1.00 23.30 ? 114 SER B CB  1 
ATOM   953  O OG  . SER A 1 108 ? -37.964 -15.158 -9.468  1.00 32.69 ? 114 SER B OG  1 
ATOM   954  N N   . TYR A 1 109 ? -34.382 -14.031 -9.525  1.00 12.94 ? 115 TYR B N   1 
ATOM   955  C CA  . TYR A 1 109 ? -33.369 -14.296 -10.585 1.00 12.34 ? 115 TYR B CA  1 
ATOM   956  C C   . TYR A 1 109 ? -33.322 -15.784 -10.853 1.00 11.73 ? 115 TYR B C   1 
ATOM   957  O O   . TYR A 1 109 ? -33.331 -16.584 -9.907  1.00 12.70 ? 115 TYR B O   1 
ATOM   958  C CB  . TYR A 1 109 ? -32.016 -13.767 -10.162 1.00 12.22 ? 115 TYR B CB  1 
ATOM   959  C CG  . TYR A 1 109 ? -31.952 -12.268 -9.912  1.00 13.08 ? 115 TYR B CG  1 
ATOM   960  C CD1 . TYR A 1 109 ? -32.206 -11.741 -8.657  1.00 14.35 ? 115 TYR B CD1 1 
ATOM   961  C CD2 . TYR A 1 109 ? -31.594 -11.389 -10.914 1.00 12.67 ? 115 TYR B CD2 1 
ATOM   962  C CE1 . TYR A 1 109 ? -32.093 -10.370 -8.425  1.00 14.59 ? 115 TYR B CE1 1 
ATOM   963  C CE2 . TYR A 1 109 ? -31.524 -10.019 -10.710 1.00 13.34 ? 115 TYR B CE2 1 
ATOM   964  C CZ  . TYR A 1 109 ? -31.767 -9.515  -9.452  1.00 13.63 ? 115 TYR B CZ  1 
ATOM   965  O OH  . TYR A 1 109 ? -31.763 -8.161  -9.212  1.00 15.31 ? 115 TYR B OH  1 
ATOM   966  N N   A GLU A 1 110 ? -33.304 -16.180 -12.132 0.25 11.80 ? 116 GLU B N   1 
ATOM   967  N N   B GLU A 1 110 ? -33.311 -16.157 -12.139 0.25 11.47 ? 116 GLU B N   1 
ATOM   968  C CA  A GLU A 1 110 ? -33.302 -17.615 -12.531 0.25 12.34 ? 116 GLU B CA  1 
ATOM   969  C CA  B GLU A 1 110 ? -33.333 -17.570 -12.605 0.25 11.78 ? 116 GLU B CA  1 
ATOM   970  C C   A GLU A 1 110 ? -32.394 -17.837 -13.745 0.25 10.63 ? 116 GLU B C   1 
ATOM   971  C C   B GLU A 1 110 ? -32.253 -17.771 -13.678 0.25 10.13 ? 116 GLU B C   1 
ATOM   972  O O   A GLU A 1 110 ? -32.324 -16.975 -14.624 0.25 10.89 ? 116 GLU B O   1 
ATOM   973  O O   B GLU A 1 110 ? -31.855 -16.800 -14.352 0.25 9.40  ? 116 GLU B O   1 
ATOM   974  C CB  A GLU A 1 110 ? -34.715 -18.116 -12.816 0.25 14.15 ? 116 GLU B CB  1 
ATOM   975  C CB  B GLU A 1 110 ? -34.705 -17.957 -13.156 0.25 13.26 ? 116 GLU B CB  1 
ATOM   976  C CG  A GLU A 1 110 ? -35.653 -17.942 -11.627 0.25 16.13 ? 116 GLU B CG  1 
ATOM   977  C CG  B GLU A 1 110 ? -35.844 -17.771 -12.158 0.25 15.43 ? 116 GLU B CG  1 
ATOM   978  C CD  A GLU A 1 110 ? -37.089 -18.308 -11.946 0.25 18.81 ? 116 GLU B CD  1 
ATOM   979  C CD  B GLU A 1 110 ? -36.006 -18.890 -11.134 0.25 16.93 ? 116 GLU B CD  1 
ATOM   980  O OE1 A GLU A 1 110 ? -37.533 -17.998 -13.064 0.25 20.55 ? 116 GLU B OE1 1 
ATOM   981  O OE1 B GLU A 1 110 ? -35.498 -19.997 -11.364 0.25 21.80 ? 116 GLU B OE1 1 
ATOM   982  O OE2 A GLU A 1 110 ? -37.762 -18.912 -11.079 0.25 19.16 ? 116 GLU B OE2 1 
ATOM   983  O OE2 B GLU A 1 110 ? -36.689 -18.658 -10.133 0.25 23.53 ? 116 GLU B OE2 1 
ATOM   984  N N   . ALA A 1 111 ? -31.742 -19.004 -13.781 1.00 10.43 ? 117 ALA B N   1 
ATOM   985  C CA  . ALA A 1 111 ? -30.978 -19.439 -14.952 1.00 10.36 ? 117 ALA B CA  1 
ATOM   986  C C   . ALA A 1 111 ? -31.909 -20.191 -15.885 1.00 11.20 ? 117 ALA B C   1 
ATOM   987  O O   . ALA A 1 111 ? -32.771 -20.997 -15.465 1.00 11.22 ? 117 ALA B O   1 
ATOM   988  C CB  . ALA A 1 111 ? -29.786 -20.304 -14.577 1.00 11.11 ? 117 ALA B CB  1 
ATOM   989  N N   . GLY A 1 112 ? -31.749 -19.931 -17.193 1.00 11.23 ? 118 GLY B N   1 
ATOM   990  C CA  . GLY A 1 112 ? -32.552 -20.519 -18.277 1.00 12.73 ? 118 GLY B CA  1 
ATOM   991  C C   . GLY A 1 112 ? -32.180 -21.945 -18.584 1.00 12.91 ? 118 GLY B C   1 
ATOM   992  O O   . GLY A 1 112 ? -31.883 -22.296 -19.695 1.00 14.57 ? 118 GLY B O   1 
ATOM   993  N N   . THR A 1 113 ? -32.181 -22.817 -17.605 1.00 14.50 ? 119 THR B N   1 
ATOM   994  C CA  . THR A 1 113 ? -32.189 -24.273 -17.805 1.00 16.07 ? 119 THR B CA  1 
ATOM   995  C C   . THR A 1 113 ? -33.618 -24.755 -18.054 1.00 16.45 ? 119 THR B C   1 
ATOM   996  O O   . THR A 1 113 ? -34.539 -23.979 -17.887 1.00 18.38 ? 119 THR B O   1 
ATOM   997  C CB  . THR A 1 113 ? -31.562 -24.899 -16.579 1.00 13.56 ? 119 THR B CB  1 
ATOM   998  O OG1 . THR A 1 113 ? -32.233 -24.443 -15.378 1.00 13.90 ? 119 THR B OG1 1 
ATOM   999  C CG2 . THR A 1 113 ? -30.105 -24.592 -16.408 1.00 15.59 ? 119 THR B CG2 1 
ATOM   1000 N N   . SER A 1 114 ? -33.786 -26.035 -18.401 1.00 19.52 ? 120 SER B N   1 
ATOM   1001 C CA  . SER A 1 114 ? -35.132 -26.607 -18.568 1.00 22.46 ? 120 SER B CA  1 
ATOM   1002 C C   . SER A 1 114 ? -35.322 -27.787 -17.613 1.00 24.73 ? 120 SER B C   1 
ATOM   1003 O O   . SER A 1 114 ? -34.654 -28.818 -17.765 1.00 25.63 ? 120 SER B O   1 
ATOM   1004 C CB  . SER A 1 114 ? -35.354 -27.013 -20.006 1.00 27.89 ? 120 SER B CB  1 
ATOM   1005 O OG  . SER A 1 114 ? -36.689 -27.489 -20.141 1.00 31.13 ? 120 SER B OG  1 
ATOM   1006 N N   . PRO A 1 115 ? -36.088 -27.627 -16.512 1.00 21.84 ? 121 PRO B N   1 
ATOM   1007 C CA  . PRO A 1 115 ? -36.746 -26.385 -16.142 1.00 22.17 ? 121 PRO B CA  1 
ATOM   1008 C C   . PRO A 1 115 ? -35.773 -25.381 -15.483 1.00 18.33 ? 121 PRO B C   1 
ATOM   1009 O O   . PRO A 1 115 ? -34.641 -25.707 -15.204 1.00 16.87 ? 121 PRO B O   1 
ATOM   1010 C CB  . PRO A 1 115 ? -37.782 -26.837 -15.115 1.00 24.53 ? 121 PRO B CB  1 
ATOM   1011 C CG  . PRO A 1 115 ? -37.101 -27.994 -14.409 1.00 24.71 ? 121 PRO B CG  1 
ATOM   1012 C CD  . PRO A 1 115 ? -36.254 -28.676 -15.475 1.00 23.41 ? 121 PRO B CD  1 
ATOM   1013 N N   . GLN A 1 116 ? -36.238 -24.162 -15.284 1.00 17.46 ? 122 GLN B N   1 
ATOM   1014 C CA  . GLN A 1 116 ? -35.401 -23.035 -14.810 1.00 16.26 ? 122 GLN B CA  1 
ATOM   1015 C C   . GLN A 1 116 ? -34.837 -23.323 -13.406 1.00 13.70 ? 122 GLN B C   1 
ATOM   1016 O O   . GLN A 1 116 ? -35.487 -24.044 -12.614 1.00 15.94 ? 122 GLN B O   1 
ATOM   1017 C CB  . GLN A 1 116 ? -36.137 -21.690 -14.894 1.00 20.96 ? 122 GLN B CB  1 
ATOM   1018 C CG  . GLN A 1 116 ? -37.133 -21.411 -13.792 1.00 27.45 ? 122 GLN B CG  1 
ATOM   1019 C CD  . GLN A 1 116 ? -38.541 -21.529 -14.297 1.00 40.58 ? 122 GLN B CD  1 
ATOM   1020 O OE1 . GLN A 1 116 ? -38.890 -22.479 -15.009 1.00 47.64 ? 122 GLN B OE1 1 
ATOM   1021 N NE2 . GLN A 1 116 ? -39.360 -20.579 -13.880 1.00 48.22 ? 122 GLN B NE2 1 
ATOM   1022 N N   . THR A 1 117 ? -33.700 -22.725 -13.117 1.00 12.23 ? 123 THR B N   1 
ATOM   1023 C CA  . THR A 1 117 ? -32.978 -22.900 -11.845 1.00 11.90 ? 123 THR B CA  1 
ATOM   1024 C C   . THR A 1 117 ? -33.014 -21.599 -11.061 1.00 12.14 ? 123 THR B C   1 
ATOM   1025 O O   . THR A 1 117 ? -32.547 -20.564 -11.546 1.00 13.10 ? 123 THR B O   1 
ATOM   1026 C CB  . THR A 1 117 ? -31.542 -23.363 -12.131 1.00 11.81 ? 123 THR B CB  1 
ATOM   1027 O OG1 . THR A 1 117 ? -31.603 -24.595 -12.836 1.00 13.51 ? 123 THR B OG1 1 
ATOM   1028 C CG2 . THR A 1 117 ? -30.780 -23.529 -10.835 1.00 13.29 ? 123 THR B CG2 1 
ATOM   1029 N N   . THR A 1 118 ? -33.403 -21.657 -9.789  1.00 12.61 ? 124 THR B N   1 
ATOM   1030 C CA  . THR A 1 118 ? -33.360 -20.519 -8.859  1.00 13.58 ? 124 THR B CA  1 
ATOM   1031 C C   . THR A 1 118 ? -31.946 -20.058 -8.602  1.00 12.86 ? 124 THR B C   1 
ATOM   1032 O O   . THR A 1 118 ? -31.063 -20.940 -8.287  1.00 15.84 ? 124 THR B O   1 
ATOM   1033 C CB  . THR A 1 118 ? -34.014 -20.983 -7.540  1.00 16.49 ? 124 THR B CB  1 
ATOM   1034 O OG1 . THR A 1 118 ? -35.372 -21.279 -7.836  1.00 20.14 ? 124 THR B OG1 1 
ATOM   1035 C CG2 . THR A 1 118 ? -33.838 -19.963 -6.445  1.00 19.72 ? 124 THR B CG2 1 
ATOM   1036 N N   . LEU A 1 119 ? -31.665 -18.761 -8.707  1.00 12.29 ? 125 LEU B N   1 
ATOM   1037 C CA  . LEU A 1 119 ? -30.364 -18.167 -8.413  1.00 11.42 ? 125 LEU B CA  1 
ATOM   1038 C C   . LEU A 1 119 ? -30.437 -17.595 -6.995  1.00 14.36 ? 125 LEU B C   1 
ATOM   1039 O O   . LEU A 1 119 ? -31.554 -17.328 -6.507  1.00 19.22 ? 125 LEU B O   1 
ATOM   1040 C CB  . LEU A 1 119 ? -29.951 -17.093 -9.431  1.00 12.36 ? 125 LEU B CB  1 
ATOM   1041 C CG  . LEU A 1 119 ? -29.846 -17.626 -10.864 1.00 12.01 ? 125 LEU B CG  1 
ATOM   1042 C CD1 . LEU A 1 119 ? -29.576 -16.501 -11.852 1.00 12.32 ? 125 LEU B CD1 1 
ATOM   1043 C CD2 . LEU A 1 119 ? -28.796 -18.739 -10.975 1.00 12.98 ? 125 LEU B CD2 1 
ATOM   1044 N N   . HIS A 1 120 ? -29.312 -17.480 -6.339  1.00 13.92 ? 126 HIS B N   1 
ATOM   1045 C CA  . HIS A 1 120 ? -29.210 -16.984 -4.939  1.00 15.04 ? 126 HIS B CA  1 
ATOM   1046 C C   . HIS A 1 120 ? -28.355 -15.735 -5.008  1.00 15.18 ? 126 HIS B C   1 
ATOM   1047 O O   . HIS A 1 120 ? -27.100 -15.873 -5.048  1.00 21.98 ? 126 HIS B O   1 
ATOM   1048 C CB  . HIS A 1 120 ? -28.618 -18.090 -4.028  1.00 16.78 ? 126 HIS B CB  1 
ATOM   1049 C CG  . HIS A 1 120 ? -29.417 -19.368 -3.981  1.00 18.29 ? 126 HIS B CG  1 
ATOM   1050 N ND1 . HIS A 1 120 ? -29.144 -20.471 -4.810  1.00 24.61 ? 126 HIS B ND1 1 
ATOM   1051 C CD2 . HIS A 1 120 ? -30.491 -19.718 -3.257  1.00 23.39 ? 126 HIS B CD2 1 
ATOM   1052 C CE1 . HIS A 1 120 ? -30.051 -21.422 -4.583  1.00 24.33 ? 126 HIS B CE1 1 
ATOM   1053 N NE2 . HIS A 1 120 ? -30.822 -21.021 -3.595  1.00 22.00 ? 126 HIS B NE2 1 
ATOM   1054 N N   . ILE A 1 121 ? -28.933 -14.573 -5.133  1.00 18.23 ? 127 ILE B N   1 
ATOM   1055 C CA  . ILE A 1 121 ? -28.154 -13.316 -5.237  1.00 19.44 ? 127 ILE B CA  1 
ATOM   1056 C C   . ILE A 1 121 ? -28.538 -12.429 -4.009  1.00 20.89 ? 127 ILE B C   1 
ATOM   1057 O O   . ILE A 1 121 ? -29.705 -12.166 -3.784  1.00 28.58 ? 127 ILE B O   1 
ATOM   1058 C CB  . ILE A 1 121 ? -28.378 -12.646 -6.617  1.00 20.44 ? 127 ILE B CB  1 
ATOM   1059 C CG1 . ILE A 1 121 ? -28.231 -13.595 -7.818  1.00 18.70 ? 127 ILE B CG1 1 
ATOM   1060 C CG2 . ILE A 1 121 ? -27.373 -11.506 -6.748  1.00 24.16 ? 127 ILE B CG2 1 
ATOM   1061 C CD1 . ILE A 1 121 ? -28.394 -12.894 -9.168  1.00 19.50 ? 127 ILE B CD1 1 
ATOM   1062 N N   . GLN A 1 122 ? -27.559 -12.126 -3.173  1.00 26.82 ? 128 GLN B N   1 
ATOM   1063 C CA  . GLN A 1 122 ? -27.798 -11.331 -1.923  1.00 30.40 ? 128 GLN B CA  1 
ATOM   1064 C C   . GLN A 1 122 ? -27.802 -9.833  -2.261  1.00 26.47 ? 128 GLN B C   1 
ATOM   1065 O O   . GLN A 1 122 ? -28.640 -9.084  -1.662  1.00 27.47 ? 128 GLN B O   1 
ATOM   1066 C CB  . GLN A 1 122 ? -26.744 -11.696 -0.868  1.00 33.89 ? 128 GLN B CB  1 
ATOM   1067 C CG  . GLN A 1 122 ? -26.787 -10.838 0.407   1.00 43.13 ? 128 GLN B CG  1 
ATOM   1068 C CD  . GLN A 1 122 ? -28.043 -10.984 1.249   1.00 47.13 ? 128 GLN B CD  1 
ATOM   1069 O OE1 . GLN A 1 122 ? -28.738 -11.998 1.220   1.00 52.79 ? 128 GLN B OE1 1 
ATOM   1070 N NE2 . GLN A 1 122 ? -28.350 -9.959  2.031   1.00 51.15 ? 128 GLN B NE2 1 
ATOM   1071 N N   . VAL A 1 123 ? -26.992 -9.422  -3.235  1.00 22.19 ? 129 VAL B N   1 
ATOM   1072 C CA  . VAL A 1 123 ? -26.841 -7.988  -3.645  1.00 19.82 ? 129 VAL B CA  1 
ATOM   1073 C C   . VAL A 1 123 ? -27.441 -7.814  -5.039  1.00 19.98 ? 129 VAL B C   1 
ATOM   1074 O O   . VAL A 1 123 ? -26.835 -8.300  -5.994  1.00 19.15 ? 129 VAL B O   1 
ATOM   1075 C CB  . VAL A 1 123 ? -25.362 -7.568  -3.616  1.00 21.81 ? 129 VAL B CB  1 
ATOM   1076 C CG1 . VAL A 1 123 ? -25.114 -6.139  -4.136  1.00 22.22 ? 129 VAL B CG1 1 
ATOM   1077 C CG2 . VAL A 1 123 ? -24.768 -7.722  -2.215  1.00 25.43 ? 129 VAL B CG2 1 
ATOM   1078 N N   . PRO A 1 124 ? -28.667 -7.270  -5.217  1.00 19.39 ? 130 PRO B N   1 
ATOM   1079 C CA  . PRO A 1 124 ? -29.262 -7.136  -6.553  1.00 18.69 ? 130 PRO B CA  1 
ATOM   1080 C C   . PRO A 1 124 ? -28.287 -6.446  -7.483  1.00 17.74 ? 130 PRO B C   1 
ATOM   1081 O O   . PRO A 1 124 ? -27.777 -5.382  -7.203  1.00 17.71 ? 130 PRO B O   1 
ATOM   1082 C CB  . PRO A 1 124 ? -30.507 -6.262  -6.275  1.00 23.19 ? 130 PRO B CB  1 
ATOM   1083 C CG  . PRO A 1 124 ? -30.898 -6.710  -4.849  1.00 22.48 ? 130 PRO B CG  1 
ATOM   1084 C CD  . PRO A 1 124 ? -29.582 -6.796  -4.150  1.00 23.10 ? 130 PRO B CD  1 
ATOM   1085 N N   . PRO A 1 125 ? -27.906 -7.057  -8.629  1.00 15.13 ? 131 PRO B N   1 
ATOM   1086 C CA  . PRO A 1 125 ? -26.906 -6.480  -9.504  1.00 14.84 ? 131 PRO B CA  1 
ATOM   1087 C C   . PRO A 1 125 ? -27.403 -5.268  -10.291 1.00 14.26 ? 131 PRO B C   1 
ATOM   1088 O O   . PRO A 1 125 ? -28.523 -5.310  -10.791 1.00 15.67 ? 131 PRO B O   1 
ATOM   1089 C CB  . PRO A 1 125 ? -26.504 -7.664  -10.416 1.00 15.75 ? 131 PRO B CB  1 
ATOM   1090 C CG  . PRO A 1 125 ? -27.630 -8.622  -10.323 1.00 17.96 ? 131 PRO B CG  1 
ATOM   1091 C CD  . PRO A 1 125 ? -28.280 -8.435  -8.986  1.00 16.93 ? 131 PRO B CD  1 
ATOM   1092 N N   . CYS A 1 126 ? -26.550 -4.262  -10.398 1.00 14.76 ? 132 CYS B N   1 
ATOM   1093 C CA  . CYS A 1 126 ? -26.786 -3.160  -11.362 1.00 15.86 ? 132 CYS B CA  1 
ATOM   1094 C C   . CYS A 1 126 ? -25.984 -3.397  -12.647 1.00 14.29 ? 132 CYS B C   1 
ATOM   1095 O O   . CYS A 1 126 ? -26.301 -2.814  -13.679 1.00 13.74 ? 132 CYS B O   1 
ATOM   1096 C CB  . CYS A 1 126 ? -26.437 -1.798  -10.809 1.00 18.28 ? 132 CYS B CB  1 
ATOM   1097 S SG  . CYS A 1 126 ? -27.421 -1.366  -9.349  1.00 26.68 ? 132 CYS B SG  1 
ATOM   1098 N N   A GLN A 1 127 ? -24.910 -4.200  -12.601 0.25 14.30 ? 133 GLN B N   1 
ATOM   1099 N N   B GLN A 1 127 ? -24.997 -4.291  -12.571 0.25 14.67 ? 133 GLN B N   1 
ATOM   1100 C CA  A GLN A 1 127 ? -24.152 -4.606  -13.824 0.25 14.86 ? 133 GLN B CA  1 
ATOM   1101 C CA  B GLN A 1 127 ? -24.124 -4.644  -13.716 0.25 15.80 ? 133 GLN B CA  1 
ATOM   1102 C C   A GLN A 1 127 ? -23.750 -6.084  -13.714 0.25 14.24 ? 133 GLN B C   1 
ATOM   1103 C C   B GLN A 1 127 ? -23.873 -6.158  -13.666 0.25 14.82 ? 133 GLN B C   1 
ATOM   1104 O O   A GLN A 1 127 ? -23.286 -6.518  -12.635 0.25 12.39 ? 133 GLN B O   1 
ATOM   1105 O O   B GLN A 1 127 ? -23.748 -6.734  -12.556 0.25 13.01 ? 133 GLN B O   1 
ATOM   1106 C CB  A GLN A 1 127 ? -22.880 -3.796  -14.102 0.25 16.49 ? 133 GLN B CB  1 
ATOM   1107 C CB  B GLN A 1 127 ? -22.844 -3.806  -13.702 0.25 18.44 ? 133 GLN B CB  1 
ATOM   1108 C CG  A GLN A 1 127 ? -23.095 -2.313  -14.361 0.25 18.31 ? 133 GLN B CG  1 
ATOM   1109 C CG  B GLN A 1 127 ? -23.086 -2.323  -13.932 0.25 20.78 ? 133 GLN B CG  1 
ATOM   1110 C CD  A GLN A 1 127 ? -23.002 -1.543  -13.067 0.25 19.89 ? 133 GLN B CD  1 
ATOM   1111 C CD  B GLN A 1 127 ? -21.823 -1.534  -14.175 0.25 22.11 ? 133 GLN B CD  1 
ATOM   1112 O OE1 A GLN A 1 127 ? -22.266 -1.926  -12.160 0.25 20.59 ? 133 GLN B OE1 1 
ATOM   1113 O OE1 B GLN A 1 127 ? -20.738 -2.083  -14.352 0.25 25.63 ? 133 GLN B OE1 1 
ATOM   1114 N NE2 A GLN A 1 127 ? -23.767 -0.464  -12.967 0.25 20.63 ? 133 GLN B NE2 1 
ATOM   1115 N NE2 B GLN A 1 127 ? -21.963 -0.224  -14.174 0.25 24.97 ? 133 GLN B NE2 1 
ATOM   1116 N N   . ILE A 1 128 ? -23.906 -6.787  -14.842 1.00 13.42 ? 134 ILE B N   1 
ATOM   1117 C CA  . ILE A 1 128 ? -23.717 -8.253  -14.990 1.00 12.98 ? 134 ILE B CA  1 
ATOM   1118 C C   . ILE A 1 128 ? -22.520 -8.420  -15.927 1.00 13.19 ? 134 ILE B C   1 
ATOM   1119 O O   . ILE A 1 128 ? -22.468 -7.828  -17.030 1.00 12.01 ? 134 ILE B O   1 
ATOM   1120 C CB  . ILE A 1 128 ? -24.973 -8.898  -15.580 1.00 13.72 ? 134 ILE B CB  1 
ATOM   1121 C CG1 . ILE A 1 128 ? -26.264 -8.709  -14.758 1.00 16.74 ? 134 ILE B CG1 1 
ATOM   1122 C CG2 . ILE A 1 128 ? -24.681 -10.377 -15.870 1.00 13.58 ? 134 ILE B CG2 1 
ATOM   1123 C CD1 . ILE A 1 128 ? -26.279 -9.480  -13.548 1.00 16.74 ? 134 ILE B CD1 1 
ATOM   1124 N N   . GLY A 1 129 ? -21.576 -9.282  -15.550 1.00 12.02 ? 135 GLY B N   1 
ATOM   1125 C CA  . GLY A 1 129 ? -20.499 -9.726  -16.437 1.00 12.25 ? 135 GLY B CA  1 
ATOM   1126 C C   . GLY A 1 129 ? -20.791 -11.105 -17.011 1.00 11.93 ? 135 GLY B C   1 
ATOM   1127 O O   . GLY A 1 129 ? -21.343 -11.959 -16.335 1.00 12.24 ? 135 GLY B O   1 
ATOM   1128 N N   . ILE A 1 130 ? -20.559 -11.232 -18.319 1.00 12.05 ? 136 ILE B N   1 
ATOM   1129 C CA  . ILE A 1 130 ? -20.806 -12.496 -19.065 1.00 11.58 ? 136 ILE B CA  1 
ATOM   1130 C C   . ILE A 1 130 ? -19.502 -12.982 -19.666 1.00 12.03 ? 136 ILE B C   1 
ATOM   1131 O O   . ILE A 1 130 ? -18.822 -12.236 -20.376 1.00 12.55 ? 136 ILE B O   1 
ATOM   1132 C CB  . ILE A 1 130 ? -21.867 -12.291 -20.164 1.00 12.46 ? 136 ILE B CB  1 
ATOM   1133 C CG1 . ILE A 1 130 ? -23.147 -11.762 -19.528 1.00 14.39 ? 136 ILE B CG1 1 
ATOM   1134 C CG2 . ILE A 1 130 ? -22.116 -13.564 -20.980 1.00 13.33 ? 136 ILE B CG2 1 
ATOM   1135 C CD1 . ILE A 1 130 ? -24.158 -11.376 -20.476 1.00 17.37 ? 136 ILE B CD1 1 
ATOM   1136 N N   . PHE A 1 131 ? -19.158 -14.200 -19.323 1.00 11.93 ? 137 PHE B N   1 
ATOM   1137 C CA  . PHE A 1 131 ? -17.893 -14.836 -19.777 1.00 11.43 ? 137 PHE B CA  1 
ATOM   1138 C C   . PHE A 1 131 ? -18.238 -16.086 -20.566 1.00 11.21 ? 137 PHE B C   1 
ATOM   1139 O O   . PHE A 1 131 ? -19.005 -16.937 -20.111 1.00 11.69 ? 137 PHE B O   1 
ATOM   1140 C CB  . PHE A 1 131 ? -17.037 -15.251 -18.590 1.00 12.63 ? 137 PHE B CB  1 
ATOM   1141 C CG  . PHE A 1 131 ? -15.773 -15.999 -18.948 1.00 13.48 ? 137 PHE B CG  1 
ATOM   1142 C CD1 . PHE A 1 131 ? -14.763 -15.358 -19.633 1.00 15.69 ? 137 PHE B CD1 1 
ATOM   1143 C CD2 . PHE A 1 131 ? -15.593 -17.331 -18.616 1.00 15.66 ? 137 PHE B CD2 1 
ATOM   1144 C CE1 . PHE A 1 131 ? -13.583 -16.034 -19.944 1.00 18.94 ? 137 PHE B CE1 1 
ATOM   1145 C CE2 . PHE A 1 131 ? -14.427 -18.016 -18.960 1.00 17.68 ? 137 PHE B CE2 1 
ATOM   1146 C CZ  . PHE A 1 131 ? -13.434 -17.358 -19.626 1.00 16.84 ? 137 PHE B CZ  1 
ATOM   1147 N N   . VAL A 1 132 ? -17.675 -16.206 -21.768 1.00 11.76 ? 138 VAL B N   1 
ATOM   1148 C CA  . VAL A 1 132 ? -17.820 -17.397 -22.637 1.00 12.16 ? 138 VAL B CA  1 
ATOM   1149 C C   . VAL A 1 132 ? -16.435 -17.988 -22.919 1.00 11.74 ? 138 VAL B C   1 
ATOM   1150 O O   . VAL A 1 132 ? -15.553 -17.280 -23.372 1.00 13.53 ? 138 VAL B O   1 
ATOM   1151 C CB  . VAL A 1 132 ? -18.554 -17.064 -23.938 1.00 12.12 ? 138 VAL B CB  1 
ATOM   1152 C CG1 . VAL A 1 132 ? -18.675 -18.299 -24.815 1.00 14.29 ? 138 VAL B CG1 1 
ATOM   1153 C CG2 . VAL A 1 132 ? -19.913 -16.435 -23.655 1.00 13.59 ? 138 VAL B CG2 1 
ATOM   1154 N N   . ASP A 1 133 ? -16.275 -19.252 -22.602 1.00 11.86 ? 139 ASP B N   1 
ATOM   1155 C CA  . ASP A 1 133 ? -15.084 -20.031 -23.052 1.00 13.73 ? 139 ASP B CA  1 
ATOM   1156 C C   . ASP A 1 133 ? -15.590 -21.050 -24.067 1.00 11.44 ? 139 ASP B C   1 
ATOM   1157 O O   . ASP A 1 133 ? -16.201 -22.050 -23.698 1.00 12.19 ? 139 ASP B O   1 
ATOM   1158 C CB  . ASP A 1 133 ? -14.328 -20.623 -21.882 1.00 12.87 ? 139 ASP B CB  1 
ATOM   1159 C CG  . ASP A 1 133 ? -13.053 -21.369 -22.283 1.00 16.59 ? 139 ASP B CG  1 
ATOM   1160 O OD1 . ASP A 1 133 ? -12.951 -21.832 -23.456 1.00 17.59 ? 139 ASP B OD1 1 
ATOM   1161 O OD2 . ASP A 1 133 ? -12.240 -21.538 -21.349 1.00 21.23 ? 139 ASP B OD2 1 
ATOM   1162 N N   . TYR A 1 134 ? -15.359 -20.780 -25.359 1.00 13.57 ? 140 TYR B N   1 
ATOM   1163 C CA  . TYR A 1 134 ? -15.932 -21.629 -26.429 1.00 12.90 ? 140 TYR B CA  1 
ATOM   1164 C C   . TYR A 1 134 ? -15.402 -23.071 -26.373 1.00 14.47 ? 140 TYR B C   1 
ATOM   1165 O O   . TYR A 1 134 ? -16.147 -24.033 -26.327 1.00 15.98 ? 140 TYR B O   1 
ATOM   1166 C CB  . TYR A 1 134 ? -15.693 -20.998 -27.807 1.00 13.69 ? 140 TYR B CB  1 
ATOM   1167 C CG  . TYR A 1 134 ? -16.624 -21.586 -28.843 1.00 13.14 ? 140 TYR B CG  1 
ATOM   1168 C CD1 . TYR A 1 134 ? -16.451 -22.873 -29.333 1.00 14.02 ? 140 TYR B CD1 1 
ATOM   1169 C CD2 . TYR A 1 134 ? -17.785 -20.919 -29.232 1.00 13.48 ? 140 TYR B CD2 1 
ATOM   1170 C CE1 . TYR A 1 134 ? -17.338 -23.435 -30.218 1.00 13.69 ? 140 TYR B CE1 1 
ATOM   1171 C CE2 . TYR A 1 134 ? -18.681 -21.479 -30.130 1.00 13.43 ? 140 TYR B CE2 1 
ATOM   1172 C CZ  . TYR A 1 134 ? -18.468 -22.749 -30.634 1.00 13.24 ? 140 TYR B CZ  1 
ATOM   1173 O OH  . TYR A 1 134 ? -19.353 -23.377 -31.466 1.00 13.52 ? 140 TYR B OH  1 
ATOM   1174 N N   . GLU A 1 135 ? -14.098 -23.178 -26.252 1.00 16.17 ? 141 GLU B N   1 
ATOM   1175 C CA  . GLU A 1 135 ? -13.456 -24.513 -26.278 1.00 16.90 ? 141 GLU B CA  1 
ATOM   1176 C C   . GLU A 1 135 ? -13.844 -25.326 -25.058 1.00 16.43 ? 141 GLU B C   1 
ATOM   1177 O O   . GLU A 1 135 ? -14.114 -26.519 -25.195 1.00 19.90 ? 141 GLU B O   1 
ATOM   1178 C CB  . GLU A 1 135 ? -11.952 -24.375 -26.397 1.00 19.23 ? 141 GLU B CB  1 
ATOM   1179 C CG  . GLU A 1 135 ? -11.538 -24.222 -27.861 1.00 26.27 ? 141 GLU B CG  1 
ATOM   1180 C CD  . GLU A 1 135 ? -11.916 -22.892 -28.413 1.00 28.83 ? 141 GLU B CD  1 
ATOM   1181 O OE1 . GLU A 1 135 ? -12.184 -22.838 -29.569 1.00 24.36 ? 141 GLU B OE1 1 
ATOM   1182 O OE2 . GLU A 1 135 ? -11.949 -21.901 -27.630 1.00 30.11 ? 141 GLU B OE2 1 
ATOM   1183 N N   . ALA A 1 136 ? -13.921 -24.715 -23.877 1.00 15.15 ? 142 ALA B N   1 
ATOM   1184 C CA  . ALA A 1 136 ? -14.292 -25.388 -22.623 1.00 16.21 ? 142 ALA B CA  1 
ATOM   1185 C C   . ALA A 1 136 ? -15.786 -25.711 -22.555 1.00 15.82 ? 142 ALA B C   1 
ATOM   1186 O O   . ALA A 1 136 ? -16.186 -26.583 -21.747 1.00 18.92 ? 142 ALA B O   1 
ATOM   1187 C CB  . ALA A 1 136 ? -13.863 -24.528 -21.453 1.00 18.12 ? 142 ALA B CB  1 
ATOM   1188 N N   . GLY A 1 137 ? -16.628 -25.061 -23.349 1.00 13.12 ? 143 GLY B N   1 
ATOM   1189 C CA  . GLY A 1 137 ? -18.075 -25.227 -23.271 1.00 11.99 ? 143 GLY B CA  1 
ATOM   1190 C C   . GLY A 1 137 ? -18.636 -24.592 -21.972 1.00 11.89 ? 143 GLY B C   1 
ATOM   1191 O O   . GLY A 1 137 ? -19.415 -25.277 -21.286 1.00 12.56 ? 143 GLY B O   1 
ATOM   1192 N N   . VAL A 1 138 ? -18.242 -23.357 -21.681 1.00 11.79 ? 144 VAL B N   1 
ATOM   1193 C CA  . VAL A 1 138 ? -18.646 -22.658 -20.421 1.00 11.60 ? 144 VAL B CA  1 
ATOM   1194 C C   . VAL A 1 138 ? -19.258 -21.306 -20.765 1.00 11.63 ? 144 VAL B C   1 
ATOM   1195 O O   . VAL A 1 138 ? -18.677 -20.513 -21.533 1.00 11.98 ? 144 VAL B O   1 
ATOM   1196 C CB  . VAL A 1 138 ? -17.411 -22.496 -19.527 1.00 13.10 ? 144 VAL B CB  1 
ATOM   1197 C CG1 . VAL A 1 138 ? -17.675 -21.536 -18.368 1.00 13.92 ? 144 VAL B CG1 1 
ATOM   1198 C CG2 . VAL A 1 138 ? -16.925 -23.861 -19.053 1.00 14.63 ? 144 VAL B CG2 1 
ATOM   1199 N N   . VAL A 1 139 ? -20.351 -21.008 -20.079 1.00 11.41 ? 145 VAL B N   1 
ATOM   1200 C CA  . VAL A 1 139 ? -20.917 -19.628 -20.008 1.00 10.46 ? 145 VAL B CA  1 
ATOM   1201 C C   . VAL A 1 139 ? -21.117 -19.268 -18.525 1.00 9.60  ? 145 VAL B C   1 
ATOM   1202 O O   . VAL A 1 139 ? -21.882 -20.009 -17.862 1.00 11.19 ? 145 VAL B O   1 
ATOM   1203 C CB  . VAL A 1 139 ? -22.250 -19.519 -20.773 1.00 10.23 ? 145 VAL B CB  1 
ATOM   1204 C CG1 . VAL A 1 139 ? -22.748 -18.063 -20.759 1.00 10.73 ? 145 VAL B CG1 1 
ATOM   1205 C CG2 . VAL A 1 139 ? -22.099 -20.072 -22.180 1.00 11.10 ? 145 VAL B CG2 1 
ATOM   1206 N N   . SER A 1 140 ? -20.475 -18.232 -18.060 1.00 10.14 ? 146 SER B N   1 
ATOM   1207 C CA  . SER A 1 140 ? -20.595 -17.823 -16.655 1.00 11.33 ? 146 SER B CA  1 
ATOM   1208 C C   . SER A 1 140 ? -21.039 -16.369 -16.550 1.00 10.30 ? 146 SER B C   1 
ATOM   1209 O O   . SER A 1 140 ? -20.752 -15.541 -17.390 1.00 11.41 ? 146 SER B O   1 
ATOM   1210 C CB  . SER A 1 140 ? -19.264 -18.003 -15.943 1.00 11.43 ? 146 SER B CB  1 
ATOM   1211 O OG  . SER A 1 140 ? -18.876 -19.372 -15.845 1.00 12.69 ? 146 SER B OG  1 
ATOM   1212 N N   . PHE A 1 141 ? -21.717 -16.094 -15.438 1.00 9.58  ? 147 PHE B N   1 
ATOM   1213 C CA  . PHE A 1 141 ? -22.344 -14.801 -15.128 1.00 10.32 ? 147 PHE B CA  1 
ATOM   1214 C C   . PHE A 1 141 ? -21.809 -14.333 -13.774 1.00 10.55 ? 147 PHE B C   1 
ATOM   1215 O O   . PHE A 1 141 ? -21.806 -15.127 -12.796 1.00 11.16 ? 147 PHE B O   1 
ATOM   1216 C CB  . PHE A 1 141 ? -23.884 -14.903 -15.093 1.00 10.17 ? 147 PHE B CB  1 
ATOM   1217 C CG  . PHE A 1 141 ? -24.477 -15.322 -16.415 1.00 9.99  ? 147 PHE B CG  1 
ATOM   1218 C CD1 . PHE A 1 141 ? -24.516 -16.660 -16.795 1.00 10.15 ? 147 PHE B CD1 1 
ATOM   1219 C CD2 . PHE A 1 141 ? -24.970 -14.352 -17.279 1.00 10.10 ? 147 PHE B CD2 1 
ATOM   1220 C CE1 . PHE A 1 141 ? -25.048 -17.003 -18.040 1.00 10.67 ? 147 PHE B CE1 1 
ATOM   1221 C CE2 . PHE A 1 141 ? -25.466 -14.723 -18.527 1.00 9.79  ? 147 PHE B CE2 1 
ATOM   1222 C CZ  . PHE A 1 141 ? -25.532 -16.046 -18.883 1.00 9.58  ? 147 PHE B CZ  1 
ATOM   1223 N N   . TYR A 1 142 ? -21.471 -13.046 -13.708 1.00 10.99 ? 148 TYR B N   1 
ATOM   1224 C CA  . TYR A 1 142 ? -20.810 -12.435 -12.523 1.00 12.26 ? 148 TYR B CA  1 
ATOM   1225 C C   . TYR A 1 142 ? -21.595 -11.201 -12.099 1.00 13.22 ? 148 TYR B C   1 
ATOM   1226 O O   . TYR A 1 142 ? -22.063 -10.401 -12.908 1.00 12.97 ? 148 TYR B O   1 
ATOM   1227 C CB  . TYR A 1 142 ? -19.349 -12.129 -12.813 1.00 13.07 ? 148 TYR B CB  1 
ATOM   1228 C CG  . TYR A 1 142 ? -18.535 -13.371 -13.079 1.00 13.26 ? 148 TYR B CG  1 
ATOM   1229 C CD1 . TYR A 1 142 ? -18.052 -14.163 -12.063 1.00 14.64 ? 148 TYR B CD1 1 
ATOM   1230 C CD2 . TYR A 1 142 ? -18.345 -13.837 -14.370 1.00 14.64 ? 148 TYR B CD2 1 
ATOM   1231 C CE1 . TYR A 1 142 ? -17.363 -15.340 -12.319 1.00 14.62 ? 148 TYR B CE1 1 
ATOM   1232 C CE2 . TYR A 1 142 ? -17.668 -15.011 -14.661 1.00 14.68 ? 148 TYR B CE2 1 
ATOM   1233 C CZ  . TYR A 1 142 ? -17.137 -15.760 -13.620 1.00 15.37 ? 148 TYR B CZ  1 
ATOM   1234 O OH  . TYR A 1 142 ? -16.483 -16.958 -13.854 1.00 18.49 ? 148 TYR B OH  1 
ATOM   1235 N N   . ASN A 1 143 ? -21.619 -10.952 -10.790 1.00 13.97 ? 149 ASN B N   1 
ATOM   1236 C CA  . ASN A 1 143 ? -22.331 -9.792  -10.174 1.00 13.85 ? 149 ASN B CA  1 
ATOM   1237 C C   . ASN A 1 143 ? -21.316 -8.660  -10.002 1.00 14.08 ? 149 ASN B C   1 
ATOM   1238 O O   . ASN A 1 143 ? -20.508 -8.680  -9.013  1.00 15.65 ? 149 ASN B O   1 
ATOM   1239 C CB  . ASN A 1 143 ? -22.955 -10.230 -8.852  1.00 14.13 ? 149 ASN B CB  1 
ATOM   1240 C CG  . ASN A 1 143 ? -23.769 -9.134  -8.168  1.00 14.69 ? 149 ASN B CG  1 
ATOM   1241 O OD1 . ASN A 1 143 ? -23.616 -7.979  -8.544  1.00 16.59 ? 149 ASN B OD1 1 
ATOM   1242 N ND2 . ASN A 1 143 ? -24.646 -9.515  -7.285  1.00 16.59 ? 149 ASN B ND2 1 
ATOM   1243 N N   . ILE A 1 144 ? -21.248 -7.669  -10.882 1.00 15.20 ? 150 ILE B N   1 
ATOM   1244 C CA  . ILE A 1 144 ? -20.156 -6.665  -10.852 1.00 16.35 ? 150 ILE B CA  1 
ATOM   1245 C C   . ILE A 1 144 ? -20.409 -5.779  -9.617  1.00 18.16 ? 150 ILE B C   1 
ATOM   1246 O O   . ILE A 1 144 ? -19.415 -5.313  -9.014  1.00 20.18 ? 150 ILE B O   1 
ATOM   1247 C CB  . ILE A 1 144 ? -20.130 -5.868  -12.170 1.00 17.71 ? 150 ILE B CB  1 
ATOM   1248 C CG1 . ILE A 1 144 ? -19.959 -6.773  -13.401 1.00 18.32 ? 150 ILE B CG1 1 
ATOM   1249 C CG2 . ILE A 1 144 ? -19.107 -4.723  -12.139 1.00 19.47 ? 150 ILE B CG2 1 
ATOM   1250 C CD1 . ILE A 1 144 ? -18.912 -7.820  -13.241 1.00 22.28 ? 150 ILE B CD1 1 
ATOM   1251 N N   . THR A 1 145 ? -21.655 -5.584  -9.225  1.00 17.29 ? 151 THR B N   1 
ATOM   1252 C CA  . THR A 1 145 ? -22.044 -4.721  -8.051  1.00 17.82 ? 151 THR B CA  1 
ATOM   1253 C C   . THR A 1 145 ? -21.471 -5.349  -6.777  1.00 21.85 ? 151 THR B C   1 
ATOM   1254 O O   . THR A 1 145 ? -21.072 -4.577  -5.871  1.00 25.22 ? 151 THR B O   1 
ATOM   1255 C CB  . THR A 1 145 ? -23.576 -4.587  -7.965  1.00 17.02 ? 151 THR B CB  1 
ATOM   1256 O OG1 . THR A 1 145 ? -24.009 -4.145  -9.249  1.00 17.82 ? 151 THR B OG1 1 
ATOM   1257 C CG2 . THR A 1 145 ? -23.990 -3.597  -6.892  1.00 18.91 ? 151 THR B CG2 1 
ATOM   1258 N N   . ASP A 1 146 ? -21.374 -6.675  -6.706  1.00 20.44 ? 152 ASP B N   1 
ATOM   1259 C CA  . ASP A 1 146 ? -20.869 -7.454  -5.529  1.00 20.41 ? 152 ASP B CA  1 
ATOM   1260 C C   . ASP A 1 146 ? -19.456 -8.004  -5.793  1.00 20.20 ? 152 ASP B C   1 
ATOM   1261 O O   . ASP A 1 146 ? -19.269 -9.219  -5.622  1.00 20.92 ? 152 ASP B O   1 
ATOM   1262 C CB  . ASP A 1 146 ? -21.927 -8.439  -5.090  1.00 20.28 ? 152 ASP B CB  1 
ATOM   1263 C CG  . ASP A 1 146 ? -21.517 -9.254  -3.879  1.00 25.63 ? 152 ASP B CG  1 
ATOM   1264 O OD1 . ASP A 1 146 ? -21.014 -8.640  -2.928  1.00 26.92 ? 152 ASP B OD1 1 
ATOM   1265 O OD2 . ASP A 1 146 ? -21.639 -10.490 -3.944  1.00 23.94 ? 152 ASP B OD2 1 
ATOM   1266 N N   . HIS A 1 147 ? -18.520 -7.159  -6.210  1.00 22.63 ? 153 HIS B N   1 
ATOM   1267 C CA  . HIS A 1 147 ? -17.067 -7.463  -6.326  1.00 25.78 ? 153 HIS B CA  1 
ATOM   1268 C C   . HIS A 1 147 ? -16.878 -8.652  -7.275  1.00 25.85 ? 153 HIS B C   1 
ATOM   1269 O O   . HIS A 1 147 ? -15.934 -9.431  -7.114  1.00 27.20 ? 153 HIS B O   1 
ATOM   1270 C CB  . HIS A 1 147 ? -16.414 -7.813  -4.970  1.00 31.05 ? 153 HIS B CB  1 
ATOM   1271 C CG  . HIS A 1 147 ? -16.747 -6.962  -3.780  1.00 39.87 ? 153 HIS B CG  1 
ATOM   1272 N ND1 . HIS A 1 147 ? -16.166 -5.722  -3.560  1.00 45.82 ? 153 HIS B ND1 1 
ATOM   1273 C CD2 . HIS A 1 147 ? -17.527 -7.214  -2.701  1.00 43.87 ? 153 HIS B CD2 1 
ATOM   1274 C CE1 . HIS A 1 147 ? -16.619 -5.218  -2.426  1.00 49.57 ? 153 HIS B CE1 1 
ATOM   1275 N NE2 . HIS A 1 147 ? -17.454 -6.118  -1.874  1.00 48.09 ? 153 HIS B NE2 1 
ATOM   1276 N N   . GLY A 1 148 ? -17.748 -8.805  -8.268  1.00 20.96 ? 154 GLY B N   1 
ATOM   1277 C CA  . GLY A 1 148 ? -17.524 -9.849  -9.286  1.00 17.63 ? 154 GLY B CA  1 
ATOM   1278 C C   . GLY A 1 148 ? -17.965 -11.236 -8.851  1.00 15.98 ? 154 GLY B C   1 
ATOM   1279 O O   . GLY A 1 148 ? -17.456 -12.159 -9.456  1.00 16.79 ? 154 GLY B O   1 
ATOM   1280 N N   . SER A 1 149 ? -18.807 -11.382 -7.851  1.00 15.71 ? 155 SER B N   1 
ATOM   1281 C CA  . SER A 1 149 ? -19.164 -12.702 -7.290  1.00 13.99 ? 155 SER B CA  1 
ATOM   1282 C C   . SER A 1 149 ? -19.855 -13.560 -8.355  1.00 15.06 ? 155 SER B C   1 
ATOM   1283 O O   . SER A 1 149 ? -20.632 -13.045 -9.180  1.00 14.67 ? 155 SER B O   1 
ATOM   1284 C CB  . SER A 1 149 ? -19.984 -12.591 -6.048  1.00 15.30 ? 155 SER B CB  1 
ATOM   1285 O OG  . SER A 1 149 ? -21.197 -11.860 -6.198  1.00 16.64 ? 155 SER B OG  1 
ATOM   1286 N N   . LEU A 1 150 ? -19.625 -14.845 -8.354  1.00 14.28 ? 156 LEU B N   1 
ATOM   1287 C CA  . LEU A 1 150 ? -20.282 -15.747 -9.341  1.00 12.32 ? 156 LEU B CA  1 
ATOM   1288 C C   . LEU A 1 150 ? -21.780 -15.791 -9.095  1.00 12.14 ? 156 LEU B C   1 
ATOM   1289 O O   . LEU A 1 150 ? -22.265 -16.001 -7.950  1.00 12.98 ? 156 LEU B O   1 
ATOM   1290 C CB  . LEU A 1 150 ? -19.705 -17.159 -9.195  1.00 12.79 ? 156 LEU B CB  1 
ATOM   1291 C CG  . LEU A 1 150 ? -20.250 -18.215 -10.166 1.00 13.30 ? 156 LEU B CG  1 
ATOM   1292 C CD1 . LEU A 1 150 ? -19.868 -17.938 -11.602 1.00 13.82 ? 156 LEU B CD1 1 
ATOM   1293 C CD2 . LEU A 1 150 ? -19.682 -19.596 -9.768  1.00 14.16 ? 156 LEU B CD2 1 
ATOM   1294 N N   . ILE A 1 151 ? -22.562 -15.670 -10.181 1.00 11.31 ? 157 ILE B N   1 
ATOM   1295 C CA  . ILE A 1 151 ? -24.000 -15.901 -10.197 1.00 11.41 ? 157 ILE B CA  1 
ATOM   1296 C C   . ILE A 1 151 ? -24.336 -17.327 -10.632 1.00 10.49 ? 157 ILE B C   1 
ATOM   1297 O O   . ILE A 1 151 ? -25.159 -18.003 -10.057 1.00 11.11 ? 157 ILE B O   1 
ATOM   1298 C CB  . ILE A 1 151 ? -24.692 -14.823 -11.065 1.00 11.72 ? 157 ILE B CB  1 
ATOM   1299 C CG1 . ILE A 1 151 ? -24.530 -13.420 -10.478 1.00 12.41 ? 157 ILE B CG1 1 
ATOM   1300 C CG2 . ILE A 1 151 ? -26.169 -15.153 -11.233 1.00 11.70 ? 157 ILE B CG2 1 
ATOM   1301 C CD1 . ILE A 1 151 ? -24.937 -12.299 -11.450 1.00 12.94 ? 157 ILE B CD1 1 
ATOM   1302 N N   . TYR A 1 152 ? -23.802 -17.731 -11.791 1.00 10.55 ? 158 TYR B N   1 
ATOM   1303 C CA  . TYR A 1 152 ? -24.192 -19.030 -12.379 1.00 9.93  ? 158 TYR B CA  1 
ATOM   1304 C C   . TYR A 1 152 ? -23.156 -19.421 -13.454 1.00 9.64  ? 158 TYR B C   1 
ATOM   1305 O O   . TYR A 1 152 ? -22.654 -18.534 -14.174 1.00 10.22 ? 158 TYR B O   1 
ATOM   1306 C CB  . TYR A 1 152 ? -25.564 -18.948 -13.115 1.00 10.37 ? 158 TYR B CB  1 
ATOM   1307 C CG  . TYR A 1 152 ? -26.114 -20.299 -13.455 1.00 10.10 ? 158 TYR B CG  1 
ATOM   1308 C CD1 . TYR A 1 152 ? -26.740 -21.110 -12.511 1.00 10.63 ? 158 TYR B CD1 1 
ATOM   1309 C CD2 . TYR A 1 152 ? -25.976 -20.833 -14.737 1.00 10.13 ? 158 TYR B CD2 1 
ATOM   1310 C CE1 . TYR A 1 152 ? -27.177 -22.383 -12.823 1.00 11.78 ? 158 TYR B CE1 1 
ATOM   1311 C CE2 . TYR A 1 152 ? -26.421 -22.093 -15.049 1.00 11.21 ? 158 TYR B CE2 1 
ATOM   1312 C CZ  . TYR A 1 152 ? -26.997 -22.887 -14.084 1.00 11.35 ? 158 TYR B CZ  1 
ATOM   1313 O OH  . TYR A 1 152 ? -27.410 -24.161 -14.371 1.00 14.01 ? 158 TYR B OH  1 
ATOM   1314 N N   . THR A 1 153 ? -22.874 -20.733 -13.559 1.00 9.99  ? 159 THR B N   1 
ATOM   1315 C CA  . THR A 1 153 ? -22.043 -21.339 -14.622 1.00 10.88 ? 159 THR B CA  1 
ATOM   1316 C C   . THR A 1 153 ? -22.819 -22.446 -15.297 1.00 9.98  ? 159 THR B C   1 
ATOM   1317 O O   . THR A 1 153 ? -23.206 -23.437 -14.691 1.00 11.33 ? 159 THR B O   1 
ATOM   1318 C CB  . THR A 1 153 ? -20.712 -21.877 -14.059 1.00 11.34 ? 159 THR B CB  1 
ATOM   1319 O OG1 . THR A 1 153 ? -19.937 -20.751 -13.669 1.00 11.83 ? 159 THR B OG1 1 
ATOM   1320 C CG2 . THR A 1 153 ? -19.972 -22.709 -15.084 1.00 12.99 ? 159 THR B CG2 1 
ATOM   1321 N N   . PHE A 1 154 ? -23.042 -22.286 -16.622 1.00 10.53 ? 160 PHE B N   1 
ATOM   1322 C CA  . PHE A 1 154 ? -23.420 -23.397 -17.539 1.00 10.50 ? 160 PHE B CA  1 
ATOM   1323 C C   . PHE A 1 154 ? -22.118 -24.081 -17.992 1.00 11.06 ? 160 PHE B C   1 
ATOM   1324 O O   . PHE A 1 154 ? -21.238 -23.417 -18.530 1.00 11.36 ? 160 PHE B O   1 
ATOM   1325 C CB  . PHE A 1 154 ? -24.105 -22.899 -18.799 1.00 10.94 ? 160 PHE B CB  1 
ATOM   1326 C CG  . PHE A 1 154 ? -25.468 -22.271 -18.617 1.00 9.18  ? 160 PHE B CG  1 
ATOM   1327 C CD1 . PHE A 1 154 ? -25.626 -20.908 -18.375 1.00 9.47  ? 160 PHE B CD1 1 
ATOM   1328 C CD2 . PHE A 1 154 ? -26.589 -23.035 -18.810 1.00 9.93  ? 160 PHE B CD2 1 
ATOM   1329 C CE1 . PHE A 1 154 ? -26.888 -20.357 -18.306 1.00 9.99  ? 160 PHE B CE1 1 
ATOM   1330 C CE2 . PHE A 1 154 ? -27.861 -22.480 -18.711 1.00 9.73  ? 160 PHE B CE2 1 
ATOM   1331 C CZ  . PHE A 1 154 ? -27.990 -21.136 -18.466 1.00 9.20  ? 160 PHE B CZ  1 
ATOM   1332 N N   . SER A 1 155 ? -22.024 -25.376 -17.697 1.00 12.91 ? 161 SER B N   1 
ATOM   1333 C CA  . SER A 1 155 ? -20.857 -26.137 -18.176 1.00 13.89 ? 161 SER B CA  1 
ATOM   1334 C C   . SER A 1 155 ? -21.333 -27.297 -19.024 1.00 13.81 ? 161 SER B C   1 
ATOM   1335 O O   . SER A 1 155 ? -22.528 -27.595 -19.127 1.00 15.51 ? 161 SER B O   1 
ATOM   1336 C CB  . SER A 1 155 ? -20.043 -26.545 -16.983 1.00 15.58 ? 161 SER B CB  1 
ATOM   1337 O OG  . SER A 1 155 ? -20.710 -27.522 -16.241 1.00 19.61 ? 161 SER B OG  1 
ATOM   1338 N N   . GLU A 1 156 ? -20.361 -27.914 -19.708 1.00 16.20 ? 162 GLU B N   1 
ATOM   1339 C CA  . GLU A 1 156 ? -20.691 -28.999 -20.678 1.00 18.93 ? 162 GLU B CA  1 
ATOM   1340 C C   . GLU A 1 156 ? -21.660 -28.468 -21.741 1.00 17.33 ? 162 GLU B C   1 
ATOM   1341 O O   . GLU A 1 156 ? -22.586 -29.204 -22.171 1.00 19.61 ? 162 GLU B O   1 
ATOM   1342 C CB  . GLU A 1 156 ? -21.342 -30.214 -20.013 1.00 23.80 ? 162 GLU B CB  1 
ATOM   1343 C CG  . GLU A 1 156 ? -20.671 -30.676 -18.736 1.00 29.33 ? 162 GLU B CG  1 
ATOM   1344 C CD  . GLU A 1 156 ? -21.240 -32.005 -18.285 1.00 40.00 ? 162 GLU B CD  1 
ATOM   1345 O OE1 . GLU A 1 156 ? -22.389 -32.025 -17.763 1.00 43.61 ? 162 GLU B OE1 1 
ATOM   1346 O OE2 . GLU A 1 156 ? -20.565 -33.024 -18.528 1.00 48.01 ? 162 GLU B OE2 1 
ATOM   1347 N N   . CYS A 1 157 ? -21.464 -27.210 -22.142 1.00 15.05 ? 163 CYS B N   1 
ATOM   1348 C CA  . CYS A 1 157 ? -22.372 -26.577 -23.126 1.00 13.83 ? 163 CYS B CA  1 
ATOM   1349 C C   . CYS A 1 157 ? -22.166 -27.226 -24.509 1.00 15.74 ? 163 CYS B C   1 
ATOM   1350 O O   . CYS A 1 157 ? -20.976 -27.453 -24.895 1.00 17.25 ? 163 CYS B O   1 
ATOM   1351 C CB  . CYS A 1 157 ? -22.183 -25.064 -23.273 1.00 13.17 ? 163 CYS B CB  1 
ATOM   1352 S SG  . CYS A 1 157 ? -22.589 -24.137 -21.762 1.00 13.29 ? 163 CYS B SG  1 
ATOM   1353 N N   . VAL A 1 158 ? -23.236 -27.441 -25.230 1.00 14.91 ? 164 VAL B N   1 
ATOM   1354 C CA  . VAL A 1 158 ? -23.133 -27.971 -26.609 1.00 16.02 ? 164 VAL B CA  1 
ATOM   1355 C C   . VAL A 1 158 ? -23.581 -26.817 -27.511 1.00 13.68 ? 164 VAL B C   1 
ATOM   1356 O O   . VAL A 1 158 ? -24.779 -26.667 -27.867 1.00 16.74 ? 164 VAL B O   1 
ATOM   1357 C CB  . VAL A 1 158 ? -23.897 -29.308 -26.739 1.00 18.65 ? 164 VAL B CB  1 
ATOM   1358 C CG1 . VAL A 1 158 ? -23.791 -29.767 -28.198 1.00 19.48 ? 164 VAL B CG1 1 
ATOM   1359 C CG2 . VAL A 1 158 ? -23.335 -30.354 -25.780 1.00 20.82 ? 164 VAL B CG2 1 
ATOM   1360 N N   . PHE A 1 159 ? -22.680 -25.885 -27.834 1.00 13.06 ? 165 PHE B N   1 
ATOM   1361 C CA  . PHE A 1 159 ? -22.987 -24.659 -28.602 1.00 13.47 ? 165 PHE B CA  1 
ATOM   1362 C C   . PHE A 1 159 ? -23.571 -25.038 -29.967 1.00 15.57 ? 165 PHE B C   1 
ATOM   1363 O O   . PHE A 1 159 ? -24.580 -24.457 -30.384 1.00 15.97 ? 165 PHE B O   1 
ATOM   1364 C CB  . PHE A 1 159 ? -21.807 -23.704 -28.631 1.00 13.69 ? 165 PHE B CB  1 
ATOM   1365 C CG  . PHE A 1 159 ? -21.358 -23.206 -27.276 1.00 12.40 ? 165 PHE B CG  1 
ATOM   1366 C CD1 . PHE A 1 159 ? -22.278 -22.699 -26.356 1.00 12.61 ? 165 PHE B CD1 1 
ATOM   1367 C CD2 . PHE A 1 159 ? -20.029 -23.253 -26.901 1.00 14.76 ? 165 PHE B CD2 1 
ATOM   1368 C CE1 . PHE A 1 159 ? -21.849 -22.237 -25.113 1.00 13.19 ? 165 PHE B CE1 1 
ATOM   1369 C CE2 . PHE A 1 159 ? -19.605 -22.769 -25.673 1.00 14.24 ? 165 PHE B CE2 1 
ATOM   1370 C CZ  . PHE A 1 159 ? -20.520 -22.249 -24.787 1.00 12.78 ? 165 PHE B CZ  1 
ATOM   1371 N N   . ALA A 1 160 ? -22.877 -25.921 -30.686 1.00 13.51 ? 166 ALA B N   1 
ATOM   1372 C CA  . ALA A 1 160 ? -23.347 -26.492 -31.973 1.00 14.46 ? 166 ALA B CA  1 
ATOM   1373 C C   . ALA A 1 160 ? -23.452 -25.423 -33.038 1.00 14.04 ? 166 ALA B C   1 
ATOM   1374 O O   . ALA A 1 160 ? -24.271 -25.605 -34.002 1.00 15.42 ? 166 ALA B O   1 
ATOM   1375 C CB  . ALA A 1 160 ? -24.607 -27.255 -31.813 1.00 14.86 ? 166 ALA B CB  1 
ATOM   1376 N N   . GLY A 1 161 ? -22.681 -24.378 -32.961 1.00 14.42 ? 167 GLY B N   1 
ATOM   1377 C CA  . GLY A 1 161 ? -22.665 -23.293 -33.954 1.00 15.82 ? 167 GLY B CA  1 
ATOM   1378 C C   . GLY A 1 161 ? -21.993 -22.048 -33.444 1.00 14.31 ? 167 GLY B C   1 
ATOM   1379 O O   . GLY A 1 161 ? -21.571 -21.997 -32.257 1.00 13.46 ? 167 GLY B O   1 
ATOM   1380 N N   . PRO A 1 162 ? -21.894 -21.021 -34.274 1.00 13.06 ? 168 PRO B N   1 
ATOM   1381 C CA  . PRO A 1 162 ? -21.429 -19.716 -33.830 1.00 12.18 ? 168 PRO B CA  1 
ATOM   1382 C C   . PRO A 1 162 ? -22.377 -19.145 -32.766 1.00 12.47 ? 168 PRO B C   1 
ATOM   1383 O O   . PRO A 1 162 ? -23.567 -19.405 -32.817 1.00 12.81 ? 168 PRO B O   1 
ATOM   1384 C CB  . PRO A 1 162 ? -21.414 -18.805 -35.060 1.00 13.08 ? 168 PRO B CB  1 
ATOM   1385 C CG  . PRO A 1 162 ? -21.561 -19.814 -36.217 1.00 12.70 ? 168 PRO B CG  1 
ATOM   1386 C CD  . PRO A 1 162 ? -22.292 -20.995 -35.695 1.00 12.67 ? 168 PRO B CD  1 
ATOM   1387 N N   . LEU A 1 163 ? -21.794 -18.403 -31.846 1.00 12.39 ? 169 LEU B N   1 
ATOM   1388 C CA  . LEU A 1 163 ? -22.567 -17.763 -30.735 1.00 11.37 ? 169 LEU B CA  1 
ATOM   1389 C C   . LEU A 1 163 ? -22.699 -16.278 -30.999 1.00 12.19 ? 169 LEU B C   1 
ATOM   1390 O O   . LEU A 1 163 ? -21.762 -15.633 -31.488 1.00 13.55 ? 169 LEU B O   1 
ATOM   1391 C CB  . LEU A 1 163 ? -21.877 -17.995 -29.389 1.00 12.28 ? 169 LEU B CB  1 
ATOM   1392 C CG  . LEU A 1 163 ? -21.908 -19.422 -28.859 1.00 12.69 ? 169 LEU B CG  1 
ATOM   1393 C CD1 . LEU A 1 163 ? -21.071 -19.480 -27.612 1.00 12.74 ? 169 LEU B CD1 1 
ATOM   1394 C CD2 . LEU A 1 163 ? -23.336 -19.927 -28.616 1.00 13.44 ? 169 LEU B CD2 1 
ATOM   1395 N N   . ARG A 1 164 ? -23.825 -15.702 -30.560 1.00 11.43 ? 170 ARG B N   1 
ATOM   1396 C CA  . ARG A 1 164 ? -24.044 -14.246 -30.561 1.00 11.34 ? 170 ARG B CA  1 
ATOM   1397 C C   . ARG A 1 164 ? -24.432 -13.759 -29.155 1.00 9.65  ? 170 ARG B C   1 
ATOM   1398 O O   . ARG A 1 164 ? -25.198 -14.440 -28.473 1.00 10.27 ? 170 ARG B O   1 
ATOM   1399 C CB  . ARG A 1 164 ? -25.126 -13.869 -31.586 1.00 12.89 ? 170 ARG B CB  1 
ATOM   1400 C CG  . ARG A 1 164 ? -24.637 -14.244 -33.000 1.00 15.48 ? 170 ARG B CG  1 
ATOM   1401 C CD  . ARG A 1 164 ? -25.551 -13.854 -34.116 1.00 17.93 ? 170 ARG B CD  1 
ATOM   1402 N NE  . ARG A 1 164 ? -25.566 -12.414 -34.221 1.00 16.77 ? 170 ARG B NE  1 
ATOM   1403 C CZ  . ARG A 1 164 ? -26.283 -11.792 -35.128 1.00 17.52 ? 170 ARG B CZ  1 
ATOM   1404 N NH1 . ARG A 1 164 ? -26.901 -12.502 -36.046 1.00 18.43 ? 170 ARG B NH1 1 
ATOM   1405 N NH2 . ARG A 1 164 ? -26.317 -10.479 -35.141 1.00 16.37 ? 170 ARG B NH2 1 
ATOM   1406 N N   . PRO A 1 165 ? -23.984 -12.572 -28.730 1.00 9.75  ? 171 PRO B N   1 
ATOM   1407 C CA  . PRO A 1 165 ? -24.534 -11.970 -27.504 1.00 9.47  ? 171 PRO B CA  1 
ATOM   1408 C C   . PRO A 1 165 ? -26.052 -11.798 -27.656 1.00 9.33  ? 171 PRO B C   1 
ATOM   1409 O O   . PRO A 1 165 ? -26.574 -11.485 -28.718 1.00 10.23 ? 171 PRO B O   1 
ATOM   1410 C CB  . PRO A 1 165 ? -23.843 -10.615 -27.411 1.00 9.93  ? 171 PRO B CB  1 
ATOM   1411 C CG  . PRO A 1 165 ? -22.542 -10.779 -28.255 1.00 11.43 ? 171 PRO B CG  1 
ATOM   1412 C CD  . PRO A 1 165 ? -23.007 -11.674 -29.374 1.00 11.99 ? 171 PRO B CD  1 
ATOM   1413 N N   . PHE A 1 166 ? -26.783 -12.092 -26.583 1.00 9.27  ? 172 PHE B N   1 
ATOM   1414 C CA  . PHE A 1 166 ? -28.259 -12.111 -26.567 1.00 9.92  ? 172 PHE B CA  1 
ATOM   1415 C C   . PHE A 1 166 ? -28.784 -11.176 -25.462 1.00 8.44  ? 172 PHE B C   1 
ATOM   1416 O O   . PHE A 1 166 ? -28.291 -11.186 -24.313 1.00 8.91  ? 172 PHE B O   1 
ATOM   1417 C CB  . PHE A 1 166 ? -28.733 -13.537 -26.311 1.00 10.48 ? 172 PHE B CB  1 
ATOM   1418 C CG  . PHE A 1 166 ? -30.230 -13.656 -26.124 1.00 10.59 ? 172 PHE B CG  1 
ATOM   1419 C CD1 . PHE A 1 166 ? -31.083 -13.631 -27.220 1.00 11.12 ? 172 PHE B CD1 1 
ATOM   1420 C CD2 . PHE A 1 166 ? -30.792 -13.687 -24.854 1.00 11.24 ? 172 PHE B CD2 1 
ATOM   1421 C CE1 . PHE A 1 166 ? -32.458 -13.690 -27.030 1.00 11.50 ? 172 PHE B CE1 1 
ATOM   1422 C CE2 . PHE A 1 166 ? -32.177 -13.740 -24.680 1.00 11.03 ? 172 PHE B CE2 1 
ATOM   1423 C CZ  . PHE A 1 166 ? -32.999 -13.734 -25.771 1.00 11.53 ? 172 PHE B CZ  1 
ATOM   1424 N N   . PHE A 1 167 ? -29.852 -10.424 -25.777 1.00 8.86  ? 173 PHE B N   1 
ATOM   1425 C CA  . PHE A 1 167 ? -30.452 -9.415  -24.892 1.00 9.05  ? 173 PHE B CA  1 
ATOM   1426 C C   . PHE A 1 167 ? -31.979 -9.490  -25.008 1.00 9.60  ? 173 PHE B C   1 
ATOM   1427 O O   . PHE A 1 167 ? -32.496 -9.540  -26.126 1.00 10.21 ? 173 PHE B O   1 
ATOM   1428 C CB  . PHE A 1 167 ? -30.007 -7.991  -25.274 1.00 9.63  ? 173 PHE B CB  1 
ATOM   1429 C CG  . PHE A 1 167 ? -28.492 -7.849  -25.385 1.00 9.99  ? 173 PHE B CG  1 
ATOM   1430 C CD1 . PHE A 1 167 ? -27.838 -8.152  -26.560 1.00 9.81  ? 173 PHE B CD1 1 
ATOM   1431 C CD2 . PHE A 1 167 ? -27.721 -7.406  -24.314 1.00 11.65 ? 173 PHE B CD2 1 
ATOM   1432 C CE1 . PHE A 1 167 ? -26.459 -8.066  -26.680 1.00 10.33 ? 173 PHE B CE1 1 
ATOM   1433 C CE2 . PHE A 1 167 ? -26.347 -7.281  -24.453 1.00 11.74 ? 173 PHE B CE2 1 
ATOM   1434 C CZ  . PHE A 1 167 ? -25.723 -7.626  -25.627 1.00 11.26 ? 173 PHE B CZ  1 
ATOM   1435 N N   . ASN A 1 168 ? -32.654 -9.299  -23.892 1.00 9.71  ? 174 ASN B N   1 
ATOM   1436 C CA  . ASN A 1 168 ? -34.113 -9.040  -23.837 1.00 9.09  ? 174 ASN B CA  1 
ATOM   1437 C C   . ASN A 1 168 ? -34.323 -7.907  -22.839 1.00 9.67  ? 174 ASN B C   1 
ATOM   1438 O O   . ASN A 1 168 ? -34.023 -8.064  -21.656 1.00 10.26 ? 174 ASN B O   1 
ATOM   1439 C CB  . ASN A 1 168 ? -34.895 -10.288 -23.436 1.00 9.85  ? 174 ASN B CB  1 
ATOM   1440 C CG  . ASN A 1 168 ? -36.401 -10.120 -23.511 1.00 11.46 ? 174 ASN B CG  1 
ATOM   1441 O OD1 . ASN A 1 168 ? -36.907 -9.044  -23.812 1.00 12.21 ? 174 ASN B OD1 1 
ATOM   1442 N ND2 . ASN A 1 168 ? -37.105 -11.215 -23.337 1.00 13.33 ? 174 ASN B ND2 1 
ATOM   1443 N N   . VAL A 1 169 ? -34.861 -6.773  -23.324 1.00 9.79  ? 175 VAL B N   1 
ATOM   1444 C CA  . VAL A 1 169 ? -35.117 -5.611  -22.434 1.00 10.42 ? 175 VAL B CA  1 
ATOM   1445 C C   . VAL A 1 169 ? -36.356 -5.844  -21.561 1.00 10.94 ? 175 VAL B C   1 
ATOM   1446 O O   . VAL A 1 169 ? -36.620 -5.032  -20.658 1.00 11.61 ? 175 VAL B O   1 
ATOM   1447 C CB  . VAL A 1 169 ? -35.217 -4.265  -23.194 1.00 11.56 ? 175 VAL B CB  1 
ATOM   1448 C CG1 . VAL A 1 169 ? -33.923 -3.919  -23.884 1.00 12.60 ? 175 VAL B CG1 1 
ATOM   1449 C CG2 . VAL A 1 169 ? -36.381 -4.248  -24.174 1.00 12.14 ? 175 VAL B CG2 1 
ATOM   1450 N N   . GLY A 1 170 ? -37.182 -6.828  -21.948 1.00 11.18 ? 176 GLY B N   1 
ATOM   1451 C CA  . GLY A 1 170 ? -38.477 -7.096  -21.286 1.00 11.48 ? 176 GLY B CA  1 
ATOM   1452 C C   . GLY A 1 170 ? -39.570 -6.148  -21.689 1.00 11.52 ? 176 GLY B C   1 
ATOM   1453 O O   . GLY A 1 170 ? -39.340 -5.092  -22.276 1.00 11.21 ? 176 GLY B O   1 
ATOM   1454 N N   . PHE A 1 171 ? -40.798 -6.604  -21.446 1.00 12.36 ? 177 PHE B N   1 
ATOM   1455 C CA  . PHE A 1 171 ? -41.998 -5.755  -21.629 1.00 11.68 ? 177 PHE B CA  1 
ATOM   1456 C C   . PHE A 1 171 ? -42.028 -4.668  -20.576 1.00 11.99 ? 177 PHE B C   1 
ATOM   1457 O O   . PHE A 1 171 ? -41.336 -4.715  -19.572 1.00 11.81 ? 177 PHE B O   1 
ATOM   1458 C CB  . PHE A 1 171 ? -43.288 -6.593  -21.695 1.00 13.41 ? 177 PHE B CB  1 
ATOM   1459 C CG  . PHE A 1 171 ? -43.396 -7.514  -22.888 1.00 14.05 ? 177 PHE B CG  1 
ATOM   1460 C CD1 . PHE A 1 171 ? -43.781 -7.040  -24.127 1.00 16.90 ? 177 PHE B CD1 1 
ATOM   1461 C CD2 . PHE A 1 171 ? -43.120 -8.868  -22.752 1.00 15.47 ? 177 PHE B CD2 1 
ATOM   1462 C CE1 . PHE A 1 171 ? -43.854 -7.907  -25.218 1.00 17.38 ? 177 PHE B CE1 1 
ATOM   1463 C CE2 . PHE A 1 171 ? -43.207 -9.721  -23.839 1.00 17.28 ? 177 PHE B CE2 1 
ATOM   1464 C CZ  . PHE A 1 171 ? -43.608 -9.246  -25.035 1.00 16.54 ? 177 PHE B CZ  1 
ATOM   1465 N N   . ASN A 1 172 ? -42.891 -3.697  -20.835 1.00 12.27 ? 178 ASN B N   1 
ATOM   1466 C CA  . ASN A 1 172 ? -43.103 -2.609  -19.852 1.00 10.52 ? 178 ASN B CA  1 
ATOM   1467 C C   . ASN A 1 172 ? -44.620 -2.445  -19.636 1.00 10.94 ? 178 ASN B C   1 
ATOM   1468 O O   . ASN A 1 172 ? -45.128 -1.290  -19.657 1.00 13.74 ? 178 ASN B O   1 
ATOM   1469 C CB  . ASN A 1 172 ? -42.431 -1.335  -20.315 1.00 11.30 ? 178 ASN B CB  1 
ATOM   1470 C CG  . ASN A 1 172 ? -42.496 -0.248  -19.282 1.00 12.22 ? 178 ASN B CG  1 
ATOM   1471 O OD1 . ASN A 1 172 ? -42.519 -0.488  -18.085 1.00 12.34 ? 178 ASN B OD1 1 
ATOM   1472 N ND2 . ASN A 1 172 ? -42.433 0.989   -19.756 1.00 14.12 ? 178 ASN B ND2 1 
ATOM   1473 N N   . TYR A 1 173 ? -45.297 -3.497  -19.248 1.00 12.50 ? 179 TYR B N   1 
ATOM   1474 C CA  . TYR A 1 173 ? -46.744 -3.420  -18.878 1.00 11.70 ? 179 TYR B CA  1 
ATOM   1475 C C   . TYR A 1 173 ? -46.902 -2.572  -17.613 1.00 13.49 ? 179 TYR B C   1 
ATOM   1476 O O   . TYR A 1 173 ? -47.999 -1.940  -17.421 1.00 14.92 ? 179 TYR B O   1 
ATOM   1477 C CB  . TYR A 1 173 ? -47.318 -4.824  -18.657 1.00 12.44 ? 179 TYR B CB  1 
ATOM   1478 C CG  . TYR A 1 173 ? -47.391 -5.699  -19.880 1.00 14.66 ? 179 TYR B CG  1 
ATOM   1479 C CD1 . TYR A 1 173 ? -48.361 -5.478  -20.843 1.00 18.29 ? 179 TYR B CD1 1 
ATOM   1480 C CD2 . TYR A 1 173 ? -46.540 -6.788  -20.017 1.00 16.47 ? 179 TYR B CD2 1 
ATOM   1481 C CE1 . TYR A 1 173 ? -48.408 -6.255  -22.000 1.00 19.54 ? 179 TYR B CE1 1 
ATOM   1482 C CE2 . TYR A 1 173 ? -46.597 -7.581  -21.167 1.00 17.48 ? 179 TYR B CE2 1 
ATOM   1483 C CZ  . TYR A 1 173 ? -47.521 -7.301  -22.142 1.00 19.70 ? 179 TYR B CZ  1 
ATOM   1484 O OH  . TYR A 1 173 ? -47.595 -8.103  -23.270 1.00 26.09 ? 179 TYR B OH  1 
ATOM   1485 N N   . SER A 1 174 ? -45.966 -2.592  -16.681 1.00 12.25 ? 180 SER B N   1 
ATOM   1486 C CA  . SER A 1 174 ? -46.059 -1.992  -15.323 1.00 13.76 ? 180 SER B CA  1 
ATOM   1487 C C   . SER A 1 174 ? -45.755 -0.488  -15.359 1.00 13.42 ? 180 SER B C   1 
ATOM   1488 O O   . SER A 1 174 ? -46.059 0.209   -14.368 1.00 14.64 ? 180 SER B O   1 
ATOM   1489 C CB  . SER A 1 174 ? -45.096 -2.622  -14.346 1.00 13.67 ? 180 SER B CB  1 
ATOM   1490 O OG  . SER A 1 174 ? -43.744 -2.399  -14.790 1.00 14.49 ? 180 SER B OG  1 
ATOM   1491 N N   . GLY A 1 175 ? -45.087 -0.006  -16.400 1.00 12.55 ? 181 GLY B N   1 
ATOM   1492 C CA  . GLY A 1 175 ? -44.521 1.347   -16.382 1.00 13.00 ? 181 GLY B CA  1 
ATOM   1493 C C   . GLY A 1 175 ? -43.276 1.471   -15.543 1.00 14.31 ? 181 GLY B C   1 
ATOM   1494 O O   . GLY A 1 175 ? -42.756 2.587   -15.428 1.00 17.55 ? 181 GLY B O   1 
ATOM   1495 N N   . GLY A 1 176 ? -42.783 0.383   -14.940 1.00 13.00 ? 182 GLY B N   1 
ATOM   1496 C CA  . GLY A 1 176 ? -41.565 0.399   -14.127 1.00 12.85 ? 182 GLY B CA  1 
ATOM   1497 C C   . GLY A 1 176 ? -40.363 -0.254  -14.812 1.00 13.24 ? 182 GLY B C   1 
ATOM   1498 O O   . GLY A 1 176 ? -39.308 -0.317  -14.143 1.00 15.26 ? 182 GLY B O   1 
ATOM   1499 N N   . ASN A 1 177 ? -40.469 -0.628  -16.072 1.00 11.08 ? 183 ASN B N   1 
ATOM   1500 C CA  . ASN A 1 177 ? -39.391 -1.346  -16.783 1.00 11.03 ? 183 ASN B CA  1 
ATOM   1501 C C   . ASN A 1 177 ? -38.919 -0.636  -18.059 1.00 11.28 ? 183 ASN B C   1 
ATOM   1502 O O   . ASN A 1 177 ? -38.382 -1.297  -18.946 1.00 12.65 ? 183 ASN B O   1 
ATOM   1503 C CB  . ASN A 1 177 ? -39.758 -2.788  -17.088 1.00 10.63 ? 183 ASN B CB  1 
ATOM   1504 C CG  . ASN A 1 177 ? -38.539 -3.650  -17.367 1.00 11.06 ? 183 ASN B CG  1 
ATOM   1505 O OD1 . ASN A 1 177 ? -37.512 -3.454  -16.744 1.00 11.55 ? 183 ASN B OD1 1 
ATOM   1506 N ND2 . ASN A 1 177 ? -38.700 -4.574  -18.303 1.00 11.00 ? 183 ASN B ND2 1 
ATOM   1507 N N   . ALA A 1 178 ? -39.026 0.686   -18.135 1.00 11.96 ? 184 ALA B N   1 
ATOM   1508 C CA  . ALA A 1 178 ? -38.626 1.421   -19.352 1.00 12.88 ? 184 ALA B CA  1 
ATOM   1509 C C   . ALA A 1 178 ? -37.107 1.574   -19.505 1.00 12.49 ? 184 ALA B C   1 
ATOM   1510 O O   . ALA A 1 178 ? -36.671 1.841   -20.629 1.00 14.58 ? 184 ALA B O   1 
ATOM   1511 C CB  . ALA A 1 178 ? -39.274 2.819   -19.353 1.00 14.33 ? 184 ALA B CB  1 
ATOM   1512 N N   . ALA A 1 179 ? -36.356 1.403   -18.421 1.00 12.05 ? 185 ALA B N   1 
ATOM   1513 C CA  . ALA A 1 179 ? -34.902 1.693   -18.468 1.00 12.35 ? 185 ALA B CA  1 
ATOM   1514 C C   . ALA A 1 179 ? -34.217 0.806   -19.516 1.00 12.38 ? 185 ALA B C   1 
ATOM   1515 O O   . ALA A 1 179 ? -34.617 -0.340  -19.797 1.00 11.86 ? 185 ALA B O   1 
ATOM   1516 C CB  . ALA A 1 179 ? -34.276 1.532   -17.132 1.00 13.22 ? 185 ALA B CB  1 
ATOM   1517 N N   . PRO A 1 180 ? -33.129 1.313   -20.117 1.00 11.63 ? 186 PRO B N   1 
ATOM   1518 C CA  . PRO A 1 180 ? -32.387 0.548   -21.124 1.00 11.69 ? 186 PRO B CA  1 
ATOM   1519 C C   . PRO A 1 180 ? -31.468 -0.560  -20.551 1.00 10.68 ? 186 PRO B C   1 
ATOM   1520 O O   . PRO A 1 180 ? -31.123 -0.527  -19.371 1.00 12.20 ? 186 PRO B O   1 
ATOM   1521 C CB  . PRO A 1 180 ? -31.502 1.634   -21.765 1.00 13.10 ? 186 PRO B CB  1 
ATOM   1522 C CG  . PRO A 1 180 ? -31.225 2.586   -20.652 1.00 15.14 ? 186 PRO B CG  1 
ATOM   1523 C CD  . PRO A 1 180 ? -32.556 2.660   -19.909 1.00 14.64 ? 186 PRO B CD  1 
ATOM   1524 N N   . LEU A 1 181 ? -31.090 -1.497  -21.413 1.00 10.96 ? 187 LEU B N   1 
ATOM   1525 C CA  . LEU A 1 181 ? -29.839 -2.272  -21.244 1.00 11.30 ? 187 LEU B CA  1 
ATOM   1526 C C   . LEU A 1 181 ? -28.705 -1.463  -21.870 1.00 11.58 ? 187 LEU B C   1 
ATOM   1527 O O   . LEU A 1 181 ? -28.899 -0.981  -22.995 1.00 13.81 ? 187 LEU B O   1 
ATOM   1528 C CB  . LEU A 1 181 ? -29.986 -3.638  -21.879 1.00 11.78 ? 187 LEU B CB  1 
ATOM   1529 C CG  . LEU A 1 181 ? -31.006 -4.592  -21.235 1.00 12.38 ? 187 LEU B CG  1 
ATOM   1530 C CD1 . LEU A 1 181 ? -31.152 -5.879  -22.040 1.00 12.70 ? 187 LEU B CD1 1 
ATOM   1531 C CD2 . LEU A 1 181 ? -30.639 -4.949  -19.810 1.00 14.37 ? 187 LEU B CD2 1 
ATOM   1532 N N   . LYS A 1 182 ? -27.561 -1.382  -21.206 1.00 11.93 ? 188 LYS B N   1 
ATOM   1533 C CA  . LYS A 1 182 ? -26.405 -0.632  -21.759 1.00 12.46 ? 188 LYS B CA  1 
ATOM   1534 C C   . LYS A 1 182 ? -25.175 -1.516  -21.711 1.00 12.46 ? 188 LYS B C   1 
ATOM   1535 O O   . LYS A 1 182 ? -24.854 -2.055  -20.629 1.00 13.26 ? 188 LYS B O   1 
ATOM   1536 C CB  . LYS A 1 182 ? -26.136 0.658   -20.979 1.00 14.64 ? 188 LYS B CB  1 
ATOM   1537 C CG  . LYS A 1 182 ? -27.302 1.583   -20.721 1.00 17.48 ? 188 LYS B CG  1 
ATOM   1538 C CD  . LYS A 1 182 ? -26.852 2.893   -20.071 1.00 21.85 ? 188 LYS B CD  1 
ATOM   1539 C CE  . LYS A 1 182 ? -27.992 3.797   -19.675 1.00 26.29 ? 188 LYS B CE  1 
ATOM   1540 N NZ  . LYS A 1 182 ? -27.456 4.980   -18.950 1.00 32.59 ? 188 LYS B NZ  1 
ATOM   1541 N N   . LEU A 1 183 ? -24.434 -1.561  -22.777 1.00 12.51 ? 189 LEU B N   1 
ATOM   1542 C CA  . LEU A 1 183 ? -23.103 -2.225  -22.768 1.00 13.12 ? 189 LEU B CA  1 
ATOM   1543 C C   . LEU A 1 183 ? -22.118 -1.279  -22.105 1.00 14.80 ? 189 LEU B C   1 
ATOM   1544 O O   . LEU A 1 183 ? -21.952 -0.131  -22.601 1.00 18.32 ? 189 LEU B O   1 
ATOM   1545 C CB  . LEU A 1 183 ? -22.718 -2.585  -24.202 1.00 13.99 ? 189 LEU B CB  1 
ATOM   1546 C CG  . LEU A 1 183 ? -23.432 -3.844  -24.705 1.00 15.84 ? 189 LEU B CG  1 
ATOM   1547 C CD1 . LEU A 1 183 ? -23.661 -3.923  -26.199 1.00 20.93 ? 189 LEU B CD1 1 
ATOM   1548 C CD2 . LEU A 1 183 ? -22.806 -5.116  -24.120 1.00 13.35 ? 189 LEU B CD2 1 
ATOM   1549 N N   . CYS A 1 184 ? -21.482 -1.736  -21.034 1.00 15.94 ? 190 CYS B N   1 
ATOM   1550 C CA  . CYS A 1 184 ? -20.560 -0.899  -20.215 1.00 17.99 ? 190 CYS B CA  1 
ATOM   1551 C C   . CYS A 1 184 ? -19.209 -0.797  -20.879 1.00 19.61 ? 190 CYS B C   1 
ATOM   1552 O O   . CYS A 1 184 ? -18.691 -1.730  -21.467 1.00 19.71 ? 190 CYS B O   1 
ATOM   1553 C CB  . CYS A 1 184 ? -20.263 -1.572  -18.893 1.00 18.88 ? 190 CYS B CB  1 
ATOM   1554 S SG  . CYS A 1 184 ? -21.726 -2.043  -17.978 1.00 21.37 ? 190 CYS B SG  1 
ATOM   1555 N N   . PRO A 1 185 ? -18.532 0.359   -20.707 1.00 25.16 ? 191 PRO B N   1 
ATOM   1556 C CA  . PRO A 1 185 ? -17.190 0.527   -21.219 1.00 28.50 ? 191 PRO B CA  1 
ATOM   1557 C C   . PRO A 1 185 ? -16.208 -0.429  -20.529 1.00 27.84 ? 191 PRO B C   1 
ATOM   1558 O O   . PRO A 1 185 ? -16.377 -0.740  -19.363 1.00 28.14 ? 191 PRO B O   1 
ATOM   1559 C CB  . PRO A 1 185 ? -16.933 2.030   -20.953 1.00 27.93 ? 191 PRO B CB  1 
ATOM   1560 C CG  . PRO A 1 185 ? -17.829 2.406   -19.815 1.00 30.23 ? 191 PRO B CG  1 
ATOM   1561 C CD  . PRO A 1 185 ? -19.050 1.538   -20.000 1.00 26.92 ? 191 PRO B CD  1 
ATOM   1562 N N   . LEU A 1 186 ? -15.240 -0.880  -21.317 1.00 32.46 ? 192 LEU B N   1 
ATOM   1563 C CA  . LEU A 1 186 ? -13.998 -1.591  -20.928 1.00 37.71 ? 192 LEU B CA  1 
ATOM   1564 C C   . LEU A 1 186 ? -13.166 -0.707  -19.994 1.00 41.10 ? 192 LEU B C   1 
ATOM   1565 O O   . LEU A 1 186 ? -12.371 -1.274  -19.231 1.00 46.65 ? 192 LEU B O   1 
ATOM   1566 C CB  . LEU A 1 186 ? -13.208 -1.894  -22.209 1.00 39.82 ? 192 LEU B CB  1 
HETATM 1567 N N1  . W0Y B 2 .   ? -44.655 -3.574  -23.054 0.44 34.86 ? 201 W0Y B N1  1 
HETATM 1568 C C4  . W0Y B 2 .   ? -47.083 -4.960  -24.993 0.44 39.25 ? 201 W0Y B C4  1 
HETATM 1569 C C5  . W0Y B 2 .   ? -46.272 -3.859  -25.217 0.44 40.30 ? 201 W0Y B C5  1 
HETATM 1570 C C6  . W0Y B 2 .   ? -45.809 -3.578  -26.490 0.44 40.50 ? 201 W0Y B C6  1 
HETATM 1571 C C7  . W0Y B 2 .   ? -46.167 -4.395  -27.546 0.44 39.92 ? 201 W0Y B C7  1 
HETATM 1572 O O2  . W0Y B 2 .   ? -45.210 -1.630  -24.423 0.44 40.60 ? 201 W0Y B O2  1 
HETATM 1573 S S   . W0Y B 2 .   ? -45.803 -2.816  -23.869 0.44 38.39 ? 201 W0Y B S   1 
HETATM 1574 O O1  . W0Y B 2 .   ? -46.932 -2.681  -22.996 0.44 39.22 ? 201 W0Y B O1  1 
HETATM 1575 C C3  . W0Y B 2 .   ? -47.435 -5.774  -26.055 0.44 39.16 ? 201 W0Y B C3  1 
HETATM 1576 C C2  . W0Y B 2 .   ? -46.982 -5.500  -27.340 0.44 40.10 ? 201 W0Y B C2  1 
HETATM 1577 C C1  . W0Y B 2 .   ? -47.373 -6.372  -28.497 0.44 40.26 ? 201 W0Y B C1  1 
HETATM 1578 O O   . W0Y B 2 .   ? -48.521 -6.803  -28.597 0.44 40.01 ? 201 W0Y B O   1 
HETATM 1579 N N   . W0Y B 2 .   ? -46.433 -6.644  -29.402 0.44 41.45 ? 201 W0Y B N   1 
HETATM 1580 C C   . W0Y B 2 .   ? -46.724 -7.365  -30.631 0.44 42.02 ? 201 W0Y B C   1 
HETATM 1581 C C1  . EDO C 3 .   ? -50.617 -16.960 -33.121 1.00 40.06 ? 202 EDO B C1  1 
HETATM 1582 O O1  . EDO C 3 .   ? -49.331 -16.370 -33.106 1.00 33.13 ? 202 EDO B O1  1 
HETATM 1583 C C2  . EDO C 3 .   ? -51.156 -17.156 -31.771 1.00 40.75 ? 202 EDO B C2  1 
HETATM 1584 O O2  . EDO C 3 .   ? -51.491 -15.914 -31.212 1.00 48.15 ? 202 EDO B O2  1 
HETATM 1585 S S   . SO4 D 4 .   ? -40.484 -24.664 -26.286 1.00 41.72 ? 203 SO4 B S   1 
HETATM 1586 O O1  . SO4 D 4 .   ? -39.768 -23.722 -27.099 1.00 24.81 ? 203 SO4 B O1  1 
HETATM 1587 O O2  . SO4 D 4 .   ? -41.360 -25.448 -27.112 1.00 45.63 ? 203 SO4 B O2  1 
HETATM 1588 O O3  . SO4 D 4 .   ? -39.523 -25.539 -25.638 1.00 46.15 ? 203 SO4 B O3  1 
HETATM 1589 O O4  . SO4 D 4 .   ? -41.267 -23.987 -25.269 1.00 41.42 ? 203 SO4 B O4  1 
HETATM 1590 O O   . HOH E 5 .   ? -38.686 -15.387 -11.715 1.00 32.97 ? 301 HOH B O   1 
HETATM 1591 O O   . HOH E 5 .   ? -33.772 4.850   -16.715 1.00 37.37 ? 302 HOH B O   1 
HETATM 1592 O O   . HOH E 5 .   ? -45.779 3.685   -34.169 1.00 22.41 ? 303 HOH B O   1 
HETATM 1593 O O   . HOH E 5 .   ? -22.775 -1.823  -9.781  1.00 28.06 ? 304 HOH B O   1 
HETATM 1594 O O   . HOH E 5 .   ? -36.261 5.447   -15.766 1.00 25.64 ? 305 HOH B O   1 
HETATM 1595 O O   . HOH E 5 .   ? -26.922 -28.525 -27.879 1.00 25.33 ? 306 HOH B O   1 
HETATM 1596 O O   . HOH E 5 .   ? -26.309 3.495   -35.183 1.00 34.60 ? 307 HOH B O   1 
HETATM 1597 O O   . HOH E 5 .   ? -45.123 7.460   -24.592 1.00 39.30 ? 308 HOH B O   1 
HETATM 1598 O O   . HOH E 5 .   ? -38.427 0.416   -11.912 1.00 35.53 ? 309 HOH B O   1 
HETATM 1599 O O   . HOH E 5 .   ? -33.009 1.044   -33.517 1.00 19.01 ? 310 HOH B O   1 
HETATM 1600 O O   . HOH E 5 .   ? -30.942 -17.454 -42.657 1.00 38.76 ? 311 HOH B O   1 
HETATM 1601 O O   . HOH E 5 .   ? -29.590 -12.466 -37.729 1.00 23.78 ? 312 HOH B O   1 
HETATM 1602 O O   . HOH E 5 .   ? -13.513 -23.547 -31.633 1.00 15.59 ? 313 HOH B O   1 
HETATM 1603 O O   . HOH E 5 .   ? -18.745 -22.024 -35.801 1.00 17.25 ? 314 HOH B O   1 
HETATM 1604 O O   . HOH E 5 .   ? -40.159 -1.145  -9.797  1.00 29.59 ? 315 HOH B O   1 
HETATM 1605 O O   . HOH E 5 .   ? -15.567 -5.399  -13.775 1.00 33.52 ? 316 HOH B O   1 
HETATM 1606 O O   . HOH E 5 .   ? -9.420  -18.735 -30.134 1.00 44.21 ? 317 HOH B O   1 
HETATM 1607 O O   . HOH E 5 .   ? -47.109 1.334   -25.561 1.00 38.33 ? 318 HOH B O   1 
HETATM 1608 O O   . HOH E 5 .   ? -38.060 2.760   -22.709 1.00 19.78 ? 319 HOH B O   1 
HETATM 1609 O O   . HOH E 5 .   ? -35.975 -22.581 -19.605 1.00 24.98 ? 320 HOH B O   1 
HETATM 1610 O O   . HOH E 5 .   ? -35.778 -19.281 -30.525 1.00 28.94 ? 321 HOH B O   1 
HETATM 1611 O O   . HOH E 5 .   ? -37.378 -25.471 -11.446 1.00 37.13 ? 322 HOH B O   1 
HETATM 1612 O O   . HOH E 5 .   ? -24.654 -30.838 -21.972 1.00 40.30 ? 323 HOH B O   1 
HETATM 1613 O O   . HOH E 5 .   ? -36.938 -16.348 -39.353 1.00 29.09 ? 324 HOH B O   1 
HETATM 1614 O O   . HOH E 5 .   ? -49.743 -1.610  -19.391 1.00 27.62 ? 325 HOH B O   1 
HETATM 1615 O O   . HOH E 5 .   ? -36.636 -23.099 -30.807 1.00 34.32 ? 326 HOH B O   1 
HETATM 1616 O O   . HOH E 5 .   ? -45.548 0.084   -11.763 1.00 23.70 ? 327 HOH B O   1 
HETATM 1617 O O   . HOH E 5 .   ? -30.837 -6.746  -11.264 1.00 14.50 ? 328 HOH B O   1 
HETATM 1618 O O   . HOH E 5 .   ? -19.418 -29.783 -15.663 1.00 30.35 ? 329 HOH B O   1 
HETATM 1619 O O   . HOH E 5 .   ? -47.198 -17.002 -31.610 1.00 21.52 ? 330 HOH B O   1 
HETATM 1620 O O   . HOH E 5 .   ? -12.738 -21.254 -18.728 1.00 28.60 ? 331 HOH B O   1 
HETATM 1621 O O   . HOH E 5 .   ? -16.197 -19.527 -15.719 1.00 25.20 ? 332 HOH B O   1 
HETATM 1622 O O   . HOH E 5 .   ? -17.615 -21.367 -12.439 1.00 18.43 ? 333 HOH B O   1 
HETATM 1623 O O   . HOH E 5 .   ? -30.856 -20.396 -21.314 1.00 12.04 ? 334 HOH B O   1 
HETATM 1624 O O   . HOH E 5 .   ? -16.757 -5.580  -9.417  1.00 33.67 ? 335 HOH B O   1 
HETATM 1625 O O   . HOH E 5 .   ? -45.167 -12.392 -26.485 1.00 31.14 ? 336 HOH B O   1 
HETATM 1626 O O   . HOH E 5 .   ? -26.605 1.917   -11.049 1.00 26.59 ? 337 HOH B O   1 
HETATM 1627 O O   . HOH E 5 .   ? -43.094 -15.414 -10.160 1.00 21.83 ? 338 HOH B O   1 
HETATM 1628 O O   . HOH E 5 .   ? -18.518 -4.621  -24.678 1.00 18.34 ? 339 HOH B O   1 
HETATM 1629 O O   . HOH E 5 .   ? -36.794 -26.028 -23.670 1.00 39.83 ? 340 HOH B O   1 
HETATM 1630 O O   . HOH E 5 .   ? -9.063  -13.327 -25.337 1.00 42.70 ? 341 HOH B O   1 
HETATM 1631 O O   . HOH E 5 .   ? -17.554 -27.646 -19.659 1.00 19.76 ? 342 HOH B O   1 
HETATM 1632 O O   . HOH E 5 .   ? -38.818 -2.511  -21.334 1.00 14.82 ? 343 HOH B O   1 
HETATM 1633 O O   . HOH E 5 .   ? -30.742 1.068   -17.013 1.00 27.12 ? 344 HOH B O   1 
HETATM 1634 O O   . HOH E 5 .   ? -26.582 -25.774 -16.404 1.00 16.88 ? 345 HOH B O   1 
HETATM 1635 O O   . HOH E 5 .   ? -25.959 -22.718 -35.736 1.00 26.42 ? 346 HOH B O   1 
HETATM 1636 O O   . HOH E 5 .   ? -19.913 1.862   -30.606 1.00 31.95 ? 347 HOH B O   1 
HETATM 1637 O O   . HOH E 5 .   ? -19.417 -4.313  -22.027 1.00 15.91 ? 348 HOH B O   1 
HETATM 1638 O O   . HOH E 5 .   ? -38.554 -7.702  -10.716 1.00 15.97 ? 349 HOH B O   1 
HETATM 1639 O O   . HOH E 5 .   ? -41.041 -9.354  -36.662 1.00 29.24 ? 350 HOH B O   1 
HETATM 1640 O O   . HOH E 5 .   ? -38.446 3.810   -42.137 1.00 28.33 ? 351 HOH B O   1 
HETATM 1641 O O   . HOH E 5 .   ? -23.334 4.363   -24.663 1.00 26.34 ? 352 HOH B O   1 
HETATM 1642 O O   . HOH E 5 .   ? -18.021 -19.887 -37.530 1.00 30.76 ? 353 HOH B O   1 
HETATM 1643 O O   . HOH E 5 .   ? -32.804 -18.138 -37.270 1.00 32.85 ? 354 HOH B O   1 
HETATM 1644 O O   . HOH E 5 .   ? -10.848 -21.118 -25.100 1.00 31.03 ? 355 HOH B O   1 
HETATM 1645 O O   . HOH E 5 .   ? -34.140 -22.044 -31.378 1.00 18.75 ? 356 HOH B O   1 
HETATM 1646 O O   . HOH E 5 .   ? -23.953 1.110   -10.698 1.00 33.19 ? 357 HOH B O   1 
HETATM 1647 O O   . HOH E 5 .   ? -19.364 -26.129 -31.773 1.00 19.42 ? 358 HOH B O   1 
HETATM 1648 O O   . HOH E 5 .   ? -27.690 -27.394 -25.870 1.00 33.38 ? 359 HOH B O   1 
HETATM 1649 O O   . HOH E 5 .   ? -33.941 -21.867 -36.579 1.00 38.46 ? 360 HOH B O   1 
HETATM 1650 O O   . HOH E 5 .   ? -36.343 -1.890  -33.799 1.00 18.93 ? 361 HOH B O   1 
HETATM 1651 O O   . HOH E 5 .   ? -10.338 -23.507 -21.812 1.00 31.49 ? 362 HOH B O   1 
HETATM 1652 O O   . HOH E 5 .   ? -9.534  -20.743 -28.909 1.00 38.85 ? 363 HOH B O   1 
HETATM 1653 O O   . HOH E 5 .   ? -13.597 -21.012 -35.226 1.00 29.26 ? 364 HOH B O   1 
HETATM 1654 O O   . HOH E 5 .   ? -45.799 -14.773 -27.515 1.00 34.22 ? 365 HOH B O   1 
HETATM 1655 O O   . HOH E 5 .   ? -20.919 -16.371 -5.534  1.00 17.99 ? 366 HOH B O   1 
HETATM 1656 O O   . HOH E 5 .   ? -40.341 -14.434 -31.372 1.00 14.51 ? 367 HOH B O   1 
HETATM 1657 O O   . HOH E 5 .   ? -30.301 -23.963 -34.054 1.00 23.95 ? 368 HOH B O   1 
HETATM 1658 O O   . HOH E 5 .   ? -26.708 -17.584 -7.760  1.00 16.05 ? 369 HOH B O   1 
HETATM 1659 O O   . HOH E 5 .   ? -38.628 3.829   -13.608 1.00 37.44 ? 370 HOH B O   1 
HETATM 1660 O O   . HOH E 5 .   ? -42.610 -5.838  -12.234 1.00 24.27 ? 371 HOH B O   1 
HETATM 1661 O O   . HOH E 5 .   ? -17.945 -4.409  -6.010  1.00 39.26 ? 372 HOH B O   1 
HETATM 1662 O O   . HOH E 5 .   ? -36.580 -0.975  -22.078 1.00 13.63 ? 373 HOH B O   1 
HETATM 1663 O O   . HOH E 5 .   ? -23.332 2.306   -22.972 1.00 30.10 ? 374 HOH B O   1 
HETATM 1664 O O   . HOH E 5 .   ? -40.877 -14.608 -8.486  1.00 26.90 ? 375 HOH B O   1 
HETATM 1665 O O   . HOH E 5 .   ? -23.962 -12.405 -6.591  1.00 19.20 ? 376 HOH B O   1 
HETATM 1666 O O   . HOH E 5 .   ? -32.357 -5.046  -12.884 1.00 13.35 ? 377 HOH B O   1 
HETATM 1667 O O   . HOH E 5 .   ? -42.326 -3.921  -39.409 1.00 22.63 ? 378 HOH B O   1 
HETATM 1668 O O   . HOH E 5 .   ? -45.714 -19.729 -31.675 1.00 26.15 ? 379 HOH B O   1 
HETATM 1669 O O   . HOH E 5 .   ? -35.852 -3.878  -9.987  1.00 42.48 ? 380 HOH B O   1 
HETATM 1670 O O   . HOH E 5 .   ? -38.113 -14.481 -21.294 1.00 34.71 ? 381 HOH B O   1 
HETATM 1671 O O   . HOH E 5 .   ? -18.306 -17.315 -36.228 1.00 28.41 ? 382 HOH B O   1 
HETATM 1672 O O   . HOH E 5 .   ? -37.072 0.790   -15.539 1.00 17.03 ? 383 HOH B O   1 
HETATM 1673 O O   . HOH E 5 .   ? -33.644 -1.824  -38.290 1.00 26.26 ? 384 HOH B O   1 
HETATM 1674 O O   . HOH E 5 .   ? -35.581 -4.613  -42.087 1.00 23.02 ? 385 HOH B O   1 
HETATM 1675 O O   . HOH E 5 .   ? -20.977 -5.867  -2.197  1.00 40.17 ? 386 HOH B O   1 
HETATM 1676 O O   . HOH E 5 .   ? -41.805 1.482   -22.513 1.00 32.48 ? 387 HOH B O   1 
HETATM 1677 O O   . HOH E 5 .   ? -41.342 -8.556  -13.324 1.00 21.51 ? 388 HOH B O   1 
HETATM 1678 O O   . HOH E 5 .   ? -20.628 -27.511 -29.824 1.00 16.67 ? 389 HOH B O   1 
HETATM 1679 O O   . HOH E 5 .   ? -33.468 -15.011 -6.965  1.00 22.16 ? 390 HOH B O   1 
HETATM 1680 O O   . HOH E 5 .   ? -52.565 -14.236 -29.118 1.00 42.47 ? 391 HOH B O   1 
HETATM 1681 O O   . HOH E 5 .   ? -25.369 -10.504 -23.556 1.00 13.11 ? 392 HOH B O   1 
HETATM 1682 O O   . HOH E 5 .   ? -39.933 2.661   -16.068 1.00 16.84 ? 393 HOH B O   1 
HETATM 1683 O O   . HOH E 5 .   ? -15.083 -19.746 -37.587 1.00 26.61 ? 394 HOH B O   1 
HETATM 1684 O O   . HOH E 5 .   ? -40.033 6.108   -26.329 1.00 41.51 ? 395 HOH B O   1 
HETATM 1685 O O   . HOH E 5 .   ? -31.579 3.408   -26.868 1.00 22.50 ? 396 HOH B O   1 
HETATM 1686 O O   . HOH E 5 .   ? -45.996 -4.365  -33.888 1.00 23.05 ? 397 HOH B O   1 
HETATM 1687 O O   . HOH E 5 .   ? -14.505 -16.573 -33.159 1.00 29.59 ? 398 HOH B O   1 
HETATM 1688 O O   . HOH E 5 .   ? -41.184 -5.959  -38.025 1.00 31.33 ? 399 HOH B O   1 
HETATM 1689 O O   . HOH E 5 .   ? -24.015 -26.778 -16.088 1.00 22.46 ? 400 HOH B O   1 
HETATM 1690 O O   . HOH E 5 .   ? -25.723 -26.950 -23.757 1.00 18.20 ? 401 HOH B O   1 
HETATM 1691 O O   . HOH E 5 .   ? -9.463  -15.905 -26.614 1.00 28.66 ? 402 HOH B O   1 
HETATM 1692 O O   . HOH E 5 .   ? -36.469 -0.319  -42.072 1.00 37.52 ? 403 HOH B O   1 
HETATM 1693 O O   . HOH E 5 .   ? -34.785 -9.212  -6.025  1.00 45.59 ? 404 HOH B O   1 
HETATM 1694 O O   . HOH E 5 .   ? -24.884 -14.260 -3.977  1.00 30.26 ? 405 HOH B O   1 
HETATM 1695 O O   . HOH E 5 .   ? -28.963 7.736   -30.179 1.00 33.01 ? 406 HOH B O   1 
HETATM 1696 O O   . HOH E 5 .   ? -24.815 -15.069 -6.804  1.00 17.32 ? 407 HOH B O   1 
HETATM 1697 O O   . HOH E 5 .   ? -18.958 -29.045 -23.427 1.00 28.07 ? 408 HOH B O   1 
HETATM 1698 O O   . HOH E 5 .   ? -17.944 -16.002 -6.197  1.00 23.30 ? 409 HOH B O   1 
HETATM 1699 O O   . HOH E 5 .   ? -40.013 -11.543 -22.824 1.00 29.21 ? 410 HOH B O   1 
HETATM 1700 O O   . HOH E 5 .   ? -12.801 -18.430 -34.809 1.00 36.33 ? 411 HOH B O   1 
HETATM 1701 O O   . HOH E 5 .   ? -17.989 -11.197 -35.626 1.00 26.03 ? 412 HOH B O   1 
HETATM 1702 O O   . HOH E 5 .   ? -47.774 0.000   -32.741 0.50 22.29 ? 413 HOH B O   1 
HETATM 1703 O O   . HOH E 5 .   ? -31.176 4.035   -24.343 1.00 23.95 ? 414 HOH B O   1 
HETATM 1704 O O   . HOH E 5 .   ? -34.307 -7.269  -7.859  1.00 30.45 ? 415 HOH B O   1 
HETATM 1705 O O   . HOH E 5 .   ? -41.753 -9.708  -43.888 1.00 37.69 ? 416 HOH B O   1 
HETATM 1706 O O   . HOH E 5 .   ? -24.641 -11.073 -4.202  1.00 25.75 ? 417 HOH B O   1 
HETATM 1707 O O   . HOH E 5 .   ? -40.472 -7.519  -34.634 1.00 22.62 ? 418 HOH B O   1 
HETATM 1708 O O   . HOH E 5 .   ? -43.354 3.721   -18.800 1.00 22.28 ? 419 HOH B O   1 
HETATM 1709 O O   . HOH E 5 .   ? -13.315 -6.356  -29.308 1.00 35.45 ? 420 HOH B O   1 
HETATM 1710 O O   . HOH E 5 .   ? -42.465 -5.015  -43.721 1.00 23.54 ? 421 HOH B O   1 
HETATM 1711 O O   . HOH E 5 .   ? -25.324 6.988   -29.017 1.00 31.86 ? 422 HOH B O   1 
HETATM 1712 O O   . HOH E 5 .   ? -41.222 5.406   -28.511 1.00 33.08 ? 423 HOH B O   1 
HETATM 1713 O O   . HOH E 5 .   ? -16.002 -14.766 -8.674  1.00 36.84 ? 424 HOH B O   1 
HETATM 1714 O O   . HOH E 5 .   ? -41.139 -8.873  -19.360 1.00 14.35 ? 425 HOH B O   1 
HETATM 1715 O O   . HOH E 5 .   ? -15.917 -12.251 -5.654  1.00 49.16 ? 426 HOH B O   1 
HETATM 1716 O O   . HOH E 5 .   ? -24.418 -4.309  -36.888 1.00 36.60 ? 427 HOH B O   1 
HETATM 1717 O O   . HOH E 5 .   ? -40.933 6.461   -33.067 1.00 33.78 ? 428 HOH B O   1 
HETATM 1718 O O   . HOH E 5 .   ? -19.960 2.301   -23.921 1.00 39.81 ? 429 HOH B O   1 
HETATM 1719 O O   . HOH E 5 .   ? -16.000 -7.274  -11.274 1.00 36.43 ? 430 HOH B O   1 
HETATM 1720 O O   . HOH E 5 .   ? -32.781 -23.609 -33.466 1.00 33.11 ? 431 HOH B O   1 
HETATM 1721 O O   . HOH E 5 .   ? -36.701 -6.730  -8.895  1.00 29.72 ? 432 HOH B O   1 
HETATM 1722 O O   . HOH E 5 .   ? -21.810 6.923   -32.301 1.00 31.04 ? 433 HOH B O   1 
HETATM 1723 O O   . HOH E 5 .   ? -8.407  -23.118 -30.177 1.00 32.13 ? 434 HOH B O   1 
HETATM 1724 O O   . HOH E 5 .   ? -40.225 5.017   -22.022 1.00 31.86 ? 435 HOH B O   1 
HETATM 1725 O O   . HOH E 5 .   ? -26.262 -28.019 -21.582 1.00 34.27 ? 436 HOH B O   1 
HETATM 1726 O O   . HOH E 5 .   ? -22.912 3.374   -20.661 1.00 36.80 ? 437 HOH B O   1 
HETATM 1727 O O   . HOH E 5 .   ? -38.822 -16.550 -40.873 1.00 37.06 ? 438 HOH B O   1 
HETATM 1728 O O   . HOH E 5 .   ? -36.610 2.156   -43.158 1.00 40.19 ? 439 HOH B O   1 
HETATM 1729 O O   . HOH E 5 .   ? -15.893 -22.275 -14.569 1.00 28.93 ? 440 HOH B O   1 
HETATM 1730 O O   . HOH E 5 .   ? -28.365 -27.795 -16.847 1.00 25.73 ? 441 HOH B O   1 
HETATM 1731 O O   . HOH E 5 .   ? -16.046 -26.907 -17.252 1.00 38.24 ? 442 HOH B O   1 
HETATM 1732 O O   . HOH E 5 .   ? -26.406 -31.268 -23.995 1.00 30.43 ? 443 HOH B O   1 
HETATM 1733 O O   . HOH E 5 .   ? -42.223 -13.040 -22.436 1.00 29.49 ? 444 HOH B O   1 
# 
