data_7HMW
# 
_entry.id   7HMW 
# 
_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   7HMW         pdb_00007hmw 10.2210/pdb7hmw/pdb 
WWPDB D_1001407674 ?            ?                   
# 
_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                        7HMW 
_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}-[(3~{R})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide' 190.242   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    146 ?        ? ? ? 
# 
_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}-[(3~{R})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide' S7G 
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 
S7G non-polymer         . '~{N}-[(3~{R})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide' ?                 'C11 H14 N2 O'   190.242 
SER 'L-peptide linking' y SERINE                                                     ?                 'C3 H7 N O3'     105.093 
SO4 non-polymer         . 'SULFATE ION'                                              ?                 'O4 S -2'        96.063  
THR 'L-peptide linking' y THREONINE                                                  ?                 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                                                 ?                 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE                                                   ?                 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE                                                     ?                 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   MET 1   7   ?   ?   ?   B . n 
A 1 2   HIS 2   8   8   HIS HIS B . n 
A 1 3   HIS 3   9   9   HIS HIS B . n 
A 1 4   HIS 4   10  10  HIS HIS B . n 
A 1 5   HIS 5   11  11  HIS HIS B . n 
A 1 6   HIS 6   12  12  HIS HIS B . n 
A 1 7   HIS 7   13  13  HIS HIS B . n 
A 1 8   MET 8   14  14  MET MET B . n 
A 1 9   VAL 9   15  15  VAL VAL B . n 
A 1 10  HIS 10  16  16  HIS HIS B . n 
A 1 11  ILE 11  17  17  ILE ILE B . n 
A 1 12  THR 12  18  18  THR THR B . n 
A 1 13  LEU 13  19  19  LEU LEU B . n 
A 1 14  ASP 14  20  20  ASP ASP B . n 
A 1 15  ARG 15  21  21  ARG ARG B . n 
A 1 16  ASN 16  22  22  ASN ASN B . n 
A 1 17  THR 17  23  23  THR THR B . n 
A 1 18  ALA 18  24  24  ALA ALA B . n 
A 1 19  ASN 19  25  25  ASN ASN B . n 
A 1 20  SER 20  26  26  SER SER B . n 
A 1 21  TRP 21  27  27  TRP TRP B . n 
A 1 22  LEU 22  28  28  LEU LEU B . n 
A 1 23  ILE 23  29  29  ILE ILE B . n 
A 1 24  ILE 24  30  30  ILE ILE B . n 
A 1 25  SER 25  31  31  SER SER B . n 
A 1 26  LYS 26  32  32  LYS LYS B . n 
A 1 27  ASP 27  33  33  ASP ASP B . n 
A 1 28  ARG 28  34  34  ARG ARG B . n 
A 1 29  ARG 29  35  35  ARG ARG B . n 
A 1 30  GLN 30  36  36  GLN GLN B . n 
A 1 31  VAL 31  37  37  VAL VAL B . n 
A 1 32  ARG 32  38  38  ARG ARG B . n 
A 1 33  MET 33  39  39  MET MET B . n 
A 1 34  GLY 34  40  40  GLY GLY B . n 
A 1 35  ASP 35  41  41  ASP ASP B . n 
A 1 36  THR 36  42  42  THR THR B . n 
A 1 37  HIS 37  43  43  HIS HIS B . n 
A 1 38  GLN 38  44  44  GLN GLN B . n 
A 1 39  ASN 39  45  45  ASN ASN B . n 
A 1 40  VAL 40  46  46  VAL VAL B . n 
A 1 41  SER 41  47  47  SER SER B . n 
A 1 42  ASP 42  48  48  ASP ASP B . n 
A 1 43  ASN 43  49  49  ASN ASN B . n 
A 1 44  LYS 44  50  50  LYS LYS B . n 
A 1 45  GLU 45  51  51  GLU GLU B . n 
A 1 46  ARG 46  52  52  ARG ARG B . n 
A 1 47  PHE 47  53  53  PHE PHE B . n 
A 1 48  SER 48  54  54  SER SER B . n 
A 1 49  ASN 49  55  55  ASN ASN B . n 
A 1 50  TYR 50  56  56  TYR TYR B . n 
A 1 51  PRO 51  57  57  PRO PRO B . n 
A 1 52  MET 52  58  58  MET MET B . n 
A 1 53  VAL 53  59  59  VAL VAL B . n 
A 1 54  LEU 54  60  60  LEU LEU B . n 
A 1 55  GLY 55  61  61  GLY GLY B . n 
A 1 56  ALA 56  62  62  ALA ALA B . n 
A 1 57  GLN 57  63  63  GLN GLN B . n 
A 1 58  ARG 58  64  64  ARG ARG B . n 
A 1 59  PHE 59  65  65  PHE PHE B . n 
A 1 60  SER 60  66  66  SER SER B . n 
A 1 61  SER 61  67  67  SER SER B . n 
A 1 62  GLY 62  68  68  GLY GLY B . n 
A 1 63  LYS 63  69  69  LYS LYS B . n 
A 1 64  MET 64  70  70  MET MET B . n 
A 1 65  TYR 65  71  71  TYR TYR B . n 
A 1 66  TRP 66  72  72  TRP TRP B . n 
A 1 67  GLU 67  73  73  GLU GLU B . n 
A 1 68  VAL 68  74  74  VAL VAL B . n 
A 1 69  ASP 69  75  75  ASP ASP B . n 
A 1 70  VAL 70  76  76  VAL VAL B . n 
A 1 71  THR 71  77  77  THR THR B . n 
A 1 72  GLN 72  78  78  GLN GLN B . n 
A 1 73  LYS 73  79  79  LYS LYS B . n 
A 1 74  GLU 74  80  80  GLU GLU B . n 
A 1 75  ALA 75  81  81  ALA ALA B . n 
A 1 76  TRP 76  82  82  TRP TRP B . n 
A 1 77  ASP 77  83  83  ASP ASP B . n 
A 1 78  LEU 78  84  84  LEU LEU B . n 
A 1 79  GLY 79  85  85  GLY GLY B . n 
A 1 80  VAL 80  86  86  VAL VAL B . n 
A 1 81  CYS 81  87  87  CYS CYS B . n 
A 1 82  ARG 82  88  88  ARG ARG B . n 
A 1 83  ASP 83  89  89  ASP ASP B . n 
A 1 84  SER 84  90  90  SER SER B . n 
A 1 85  VAL 85  91  91  VAL VAL B . n 
A 1 86  GLN 86  92  92  GLN GLN B . n 
A 1 87  ARG 87  93  93  ARG ARG B . n 
A 1 88  LYS 88  94  94  LYS LYS B . n 
A 1 89  GLY 89  95  95  GLY GLY B . n 
A 1 90  GLN 90  96  96  GLN GLN B . n 
A 1 91  PHE 91  97  97  PHE PHE B . n 
A 1 92  SER 92  98  98  SER SER B . n 
A 1 93  LEU 93  99  99  LEU LEU B . n 
A 1 94  SER 94  100 100 SER SER B . n 
A 1 95  PRO 95  101 101 PRO PRO B . n 
A 1 96  GLU 96  102 102 GLU GLU B . n 
A 1 97  ASN 97  103 103 ASN ASN B . n 
A 1 98  GLY 98  104 104 GLY GLY B . n 
A 1 99  PHE 99  105 105 PHE PHE B . n 
A 1 100 TRP 100 106 106 TRP TRP B . n 
A 1 101 THR 101 107 107 THR THR B . n 
A 1 102 ILE 102 108 108 ILE ILE B . n 
A 1 103 TRP 103 109 109 TRP TRP B . n 
A 1 104 LEU 104 110 110 LEU LEU B . n 
A 1 105 TRP 105 111 111 TRP TRP B . n 
A 1 106 GLN 106 112 112 GLN GLN B . n 
A 1 107 ASP 107 113 113 ASP ASP B . n 
A 1 108 SER 108 114 114 SER SER B . n 
A 1 109 TYR 109 115 115 TYR TYR B . n 
A 1 110 GLU 110 116 116 GLU GLU B . n 
A 1 111 ALA 111 117 117 ALA ALA B . n 
A 1 112 GLY 112 118 118 GLY GLY B . n 
A 1 113 THR 113 119 119 THR THR B . n 
A 1 114 SER 114 120 120 SER SER B . n 
A 1 115 PRO 115 121 121 PRO PRO B . n 
A 1 116 GLN 116 122 122 GLN GLN B . n 
A 1 117 THR 117 123 123 THR THR B . n 
A 1 118 THR 118 124 124 THR THR B . n 
A 1 119 LEU 119 125 125 LEU LEU B . n 
A 1 120 HIS 120 126 126 HIS HIS B . n 
A 1 121 ILE 121 127 127 ILE ILE B . n 
A 1 122 GLN 122 128 128 GLN GLN B . n 
A 1 123 VAL 123 129 129 VAL VAL B . n 
A 1 124 PRO 124 130 130 PRO PRO B . n 
A 1 125 PRO 125 131 131 PRO PRO B . n 
A 1 126 CYS 126 132 132 CYS CYS B . n 
A 1 127 GLN 127 133 133 GLN GLN B . n 
A 1 128 ILE 128 134 134 ILE ILE B . n 
A 1 129 GLY 129 135 135 GLY GLY B . n 
A 1 130 ILE 130 136 136 ILE ILE B . n 
A 1 131 PHE 131 137 137 PHE PHE B . n 
A 1 132 VAL 132 138 138 VAL VAL B . n 
A 1 133 ASP 133 139 139 ASP ASP B . n 
A 1 134 TYR 134 140 140 TYR TYR B . n 
A 1 135 GLU 135 141 141 GLU GLU B . n 
A 1 136 ALA 136 142 142 ALA ALA B . n 
A 1 137 GLY 137 143 143 GLY GLY B . n 
A 1 138 VAL 138 144 144 VAL VAL B . n 
A 1 139 VAL 139 145 145 VAL VAL B . n 
A 1 140 SER 140 146 146 SER SER B . n 
A 1 141 PHE 141 147 147 PHE PHE B . n 
A 1 142 TYR 142 148 148 TYR TYR B . n 
A 1 143 ASN 143 149 149 ASN ASN B . n 
A 1 144 ILE 144 150 150 ILE ILE B . n 
A 1 145 THR 145 151 151 THR THR B . n 
A 1 146 ASP 146 152 152 ASP ASP B . n 
A 1 147 HIS 147 153 153 HIS HIS B . n 
A 1 148 GLY 148 154 154 GLY GLY B . n 
A 1 149 SER 149 155 155 SER SER B . n 
A 1 150 LEU 150 156 156 LEU LEU B . n 
A 1 151 ILE 151 157 157 ILE ILE B . n 
A 1 152 TYR 152 158 158 TYR TYR B . n 
A 1 153 THR 153 159 159 THR THR B . n 
A 1 154 PHE 154 160 160 PHE PHE B . n 
A 1 155 SER 155 161 161 SER SER B . n 
A 1 156 GLU 156 162 162 GLU GLU B . n 
A 1 157 CYS 157 163 163 CYS CYS B . n 
A 1 158 VAL 158 164 164 VAL VAL B . n 
A 1 159 PHE 159 165 165 PHE PHE B . n 
A 1 160 ALA 160 166 166 ALA ALA B . n 
A 1 161 GLY 161 167 167 GLY GLY B . n 
A 1 162 PRO 162 168 168 PRO PRO B . n 
A 1 163 LEU 163 169 169 LEU LEU B . n 
A 1 164 ARG 164 170 170 ARG ARG B . n 
A 1 165 PRO 165 171 171 PRO PRO B . n 
A 1 166 PHE 166 172 172 PHE PHE B . n 
A 1 167 PHE 167 173 173 PHE PHE B . n 
A 1 168 ASN 168 174 174 ASN ASN B . n 
A 1 169 VAL 169 175 175 VAL VAL B . n 
A 1 170 GLY 170 176 176 GLY GLY B . n 
A 1 171 PHE 171 177 177 PHE PHE B . n 
A 1 172 ASN 172 178 178 ASN ASN B . n 
A 1 173 TYR 173 179 179 TYR TYR B . n 
A 1 174 SER 174 180 180 SER SER B . n 
A 1 175 GLY 175 181 181 GLY GLY B . n 
A 1 176 GLY 176 182 182 GLY GLY B . n 
A 1 177 ASN 177 183 183 ASN ASN B . n 
A 1 178 ALA 178 184 184 ALA ALA B . n 
A 1 179 ALA 179 185 185 ALA ALA B . n 
A 1 180 PRO 180 186 186 PRO PRO B . n 
A 1 181 LEU 181 187 187 LEU LEU B . n 
A 1 182 LYS 182 188 188 LYS LYS B . n 
A 1 183 LEU 183 189 189 LEU LEU B . n 
A 1 184 CYS 184 190 190 CYS CYS B . n 
A 1 185 PRO 185 191 191 PRO PRO B . n 
A 1 186 LEU 186 192 192 LEU LEU B . n 
A 1 187 LYS 187 193 ?   ?   ?   B . n 
A 1 188 MET 188 194 ?   ?   ?   B . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        S7G 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   S7G 
_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 S7G 1   201 201 S7G 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 99  HOH HOH B . 
E 5 HOH 2   302 12  HOH HOH B . 
E 5 HOH 3   303 2   HOH HOH B . 
E 5 HOH 4   304 63  HOH HOH B . 
E 5 HOH 5   305 11  HOH HOH B . 
E 5 HOH 6   306 85  HOH HOH B . 
E 5 HOH 7   307 33  HOH HOH B . 
E 5 HOH 8   308 26  HOH HOH B . 
E 5 HOH 9   309 1   HOH HOH B . 
E 5 HOH 10  310 21  HOH HOH B . 
E 5 HOH 11  311 102 HOH HOH B . 
E 5 HOH 12  312 95  HOH HOH B . 
E 5 HOH 13  313 16  HOH HOH B . 
E 5 HOH 14  314 9   HOH HOH B . 
E 5 HOH 15  315 90  HOH HOH B . 
E 5 HOH 16  316 36  HOH HOH B . 
E 5 HOH 17  317 27  HOH HOH B . 
E 5 HOH 18  318 4   HOH HOH B . 
E 5 HOH 19  319 40  HOH HOH B . 
E 5 HOH 20  320 70  HOH HOH B . 
E 5 HOH 21  321 5   HOH HOH B . 
E 5 HOH 22  322 10  HOH HOH B . 
E 5 HOH 23  323 80  HOH HOH B . 
E 5 HOH 24  324 11  HOH HOH B . 
E 5 HOH 25  325 51  HOH HOH B . 
E 5 HOH 26  326 66  HOH HOH B . 
E 5 HOH 27  327 281 HOH HOH B . 
E 5 HOH 28  328 25  HOH HOH B . 
E 5 HOH 29  329 34  HOH HOH B . 
E 5 HOH 30  330 39  HOH HOH B . 
E 5 HOH 31  331 116 HOH HOH B . 
E 5 HOH 32  332 16  HOH HOH B . 
E 5 HOH 33  333 30  HOH HOH B . 
E 5 HOH 34  334 214 HOH HOH B . 
E 5 HOH 35  335 129 HOH HOH B . 
E 5 HOH 36  336 31  HOH HOH B . 
E 5 HOH 37  337 50  HOH HOH B . 
E 5 HOH 38  338 32  HOH HOH B . 
E 5 HOH 39  339 184 HOH HOH B . 
E 5 HOH 40  340 2   HOH HOH B . 
E 5 HOH 41  341 33  HOH HOH B . 
E 5 HOH 42  342 22  HOH HOH B . 
E 5 HOH 43  343 68  HOH HOH B . 
E 5 HOH 44  344 7   HOH HOH B . 
E 5 HOH 45  345 20  HOH HOH B . 
E 5 HOH 46  346 72  HOH HOH B . 
E 5 HOH 47  347 26  HOH HOH B . 
E 5 HOH 48  348 3   HOH HOH B . 
E 5 HOH 49  349 29  HOH HOH B . 
E 5 HOH 50  350 10  HOH HOH B . 
E 5 HOH 51  351 43  HOH HOH B . 
E 5 HOH 52  352 6   HOH HOH B . 
E 5 HOH 53  353 172 HOH HOH B . 
E 5 HOH 54  354 55  HOH HOH B . 
E 5 HOH 55  355 19  HOH HOH B . 
E 5 HOH 56  356 28  HOH HOH B . 
E 5 HOH 57  357 157 HOH HOH B . 
E 5 HOH 58  358 100 HOH HOH B . 
E 5 HOH 59  359 29  HOH HOH B . 
E 5 HOH 60  360 89  HOH HOH B . 
E 5 HOH 61  361 156 HOH HOH B . 
E 5 HOH 62  362 47  HOH HOH B . 
E 5 HOH 63  363 86  HOH HOH B . 
E 5 HOH 64  364 18  HOH HOH B . 
E 5 HOH 65  365 15  HOH HOH B . 
E 5 HOH 66  366 59  HOH HOH B . 
E 5 HOH 67  367 267 HOH HOH B . 
E 5 HOH 68  368 76  HOH HOH B . 
E 5 HOH 69  369 4   HOH HOH B . 
E 5 HOH 70  370 58  HOH HOH B . 
E 5 HOH 71  371 71  HOH HOH B . 
E 5 HOH 72  372 27  HOH HOH B . 
E 5 HOH 73  373 137 HOH HOH B . 
E 5 HOH 74  374 1   HOH HOH B . 
E 5 HOH 75  375 304 HOH HOH B . 
E 5 HOH 76  376 93  HOH HOH B . 
E 5 HOH 77  377 62  HOH HOH B . 
E 5 HOH 78  378 126 HOH HOH B . 
E 5 HOH 79  379 211 HOH HOH B . 
E 5 HOH 80  380 81  HOH HOH B . 
E 5 HOH 81  381 61  HOH HOH B . 
E 5 HOH 82  382 3   HOH HOH B . 
E 5 HOH 83  383 17  HOH HOH B . 
E 5 HOH 84  384 24  HOH HOH B . 
E 5 HOH 85  385 20  HOH HOH B . 
E 5 HOH 86  386 8   HOH HOH B . 
E 5 HOH 87  387 32  HOH HOH B . 
E 5 HOH 88  388 23  HOH HOH B . 
E 5 HOH 89  389 48  HOH HOH B . 
E 5 HOH 90  390 12  HOH HOH B . 
E 5 HOH 91  391 25  HOH HOH B . 
E 5 HOH 92  392 97  HOH HOH B . 
E 5 HOH 93  393 303 HOH HOH B . 
E 5 HOH 94  394 42  HOH HOH B . 
E 5 HOH 95  395 60  HOH HOH B . 
E 5 HOH 96  396 64  HOH HOH B . 
E 5 HOH 97  397 54  HOH HOH B . 
E 5 HOH 98  398 14  HOH HOH B . 
E 5 HOH 99  399 57  HOH HOH B . 
E 5 HOH 100 400 56  HOH HOH B . 
E 5 HOH 101 401 8   HOH HOH B . 
E 5 HOH 102 402 49  HOH HOH B . 
E 5 HOH 103 403 197 HOH HOH B . 
E 5 HOH 104 404 125 HOH HOH B . 
E 5 HOH 105 405 263 HOH HOH B . 
E 5 HOH 106 406 13  HOH HOH B . 
E 5 HOH 107 407 133 HOH HOH B . 
E 5 HOH 108 408 41  HOH HOH B . 
E 5 HOH 109 409 103 HOH HOH B . 
E 5 HOH 110 410 7   HOH HOH B . 
E 5 HOH 111 411 38  HOH HOH B . 
E 5 HOH 112 412 257 HOH HOH B . 
E 5 HOH 113 413 15  HOH HOH B . 
E 5 HOH 114 414 45  HOH HOH B . 
E 5 HOH 115 415 69  HOH HOH B . 
E 5 HOH 116 416 120 HOH HOH B . 
E 5 HOH 117 417 5   HOH HOH B . 
E 5 HOH 118 418 264 HOH HOH B . 
E 5 HOH 119 419 53  HOH HOH B . 
E 5 HOH 120 420 140 HOH HOH B . 
E 5 HOH 121 421 154 HOH HOH B . 
E 5 HOH 122 422 44  HOH HOH B . 
E 5 HOH 123 423 112 HOH HOH B . 
E 5 HOH 124 424 22  HOH HOH B . 
E 5 HOH 125 425 19  HOH HOH B . 
E 5 HOH 126 426 107 HOH HOH B . 
E 5 HOH 127 427 18  HOH HOH B . 
E 5 HOH 128 428 30  HOH HOH B . 
E 5 HOH 129 429 266 HOH HOH B . 
E 5 HOH 130 430 114 HOH HOH B . 
E 5 HOH 131 431 115 HOH HOH B . 
E 5 HOH 132 432 13  HOH HOH B . 
E 5 HOH 133 433 73  HOH HOH B . 
E 5 HOH 134 434 23  HOH HOH B . 
E 5 HOH 135 435 21  HOH HOH B . 
E 5 HOH 136 436 46  HOH HOH B . 
E 5 HOH 137 437 98  HOH HOH B . 
E 5 HOH 138 438 82  HOH HOH B . 
E 5 HOH 139 439 166 HOH HOH B . 
E 5 HOH 140 440 104 HOH HOH B . 
E 5 HOH 141 441 205 HOH HOH B . 
E 5 HOH 142 442 127 HOH HOH B . 
E 5 HOH 143 443 14  HOH HOH B . 
E 5 HOH 144 444 270 HOH HOH B . 
E 5 HOH 145 445 131 HOH HOH B . 
E 5 HOH 146 446 259 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           7HMW 
_cell.length_a           95.557 
_cell.length_b           95.557 
_cell.length_c           45.929 
_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                         7HMW 
_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          7HMW 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.43 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   49.33 
_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                     7HMW 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             67.560 
_reflns.d_resolution_high            1.340 
_reflns.number_obs                   46596 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         100.000 
_reflns.pdbx_Rmerge_I_obs            0.111 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        13.400 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              11.800 
_reflns.pdbx_Rrim_I_all              0.115 
_reflns.pdbx_Rpim_I_all              0.032 
_reflns.pdbx_CC_half                 0.999 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     548202 
_reflns.pdbx_scaling_rejects         0 
_reflns.pdbx_chi_squared             ? 
_reflns.Rmerge_F_all                 ? 
_reflns.Rmerge_F_obs                 ? 
_reflns.observed_criterion_F_max     ? 
_reflns.observed_criterion_F_min     ? 
_reflns.observed_criterion_I_max     ? 
_reflns.observed_criterion_I_min     ? 
_reflns.pdbx_d_res_high_opt          ? 
_reflns.pdbx_d_res_low_opt           ? 
_reflns.details                      ? 
# 
loop_
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_ordinal 
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.number_measured_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_unique_obs 
_reflns_shell.pdbx_rejects 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_redundancy 
_reflns_shell.percent_possible_obs 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.Rmerge_I_all 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.percent_possible_all 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_CC_half 
1 1 1.340 1.360  ? 11889 2264 ? 1.989 ? ? ? 5.300  ? 0.500  ? ? ? ? ? ? 99.300 2.216 0.940 0.318 
1 2 7.340 67.560 ? 3755  313  ? 0.090 ? ? ? 12.000 ? 69.300 ? ? ? ? ? ? 99.900 0.095 0.031 0.994 
# 
_refine.entry_id                                 7HMW 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.3400 
_refine.ls_d_res_low                             67.5700 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    99.7400 
_refine.ls_number_reflns_obs                     44258 
_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                          0.1870 
_refine.ls_R_factor_R_work                       0.1860 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.2070 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.8000 
_refine.ls_number_reflns_R_free                  2237 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               16.8010 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.2200 
_refine.aniso_B[2][2]                            0.2200 
_refine.aniso_B[3][3]                            -0.4400 
_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               0.9660 
_refine.correlation_coeff_Fo_to_Fc_free          0.9570 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.overall_SU_R_free                        ? 
_refine.pdbx_overall_ESU_R                       0.0600 
_refine.pdbx_overall_ESU_R_Free                  0.0610 
_refine.overall_SU_ML                            0.0550 
_refine.overall_SU_B                             1.4500 
_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                                74.130 
_refine.B_iso_min                                9.080 
_refine.pdbx_overall_phase_error                 ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.pdbx_diffrn_id                           1 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.ls_R_factor_R_free_error_details         ? 
# 
_refine_hist.cycle_id                         final 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.d_res_high                       1.3400 
_refine_hist.d_res_low                        67.5700 
_refine_hist.pdbx_number_atoms_ligand         23 
_refine_hist.number_atoms_solvent             146 
_refine_hist.number_atoms_total               1662 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           29.88 
_refine_hist.pdbx_B_iso_mean_solvent          28.44 
_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       2233 0.012  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1715 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2751 1.714  1.638  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3968 1.421  1.577  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 259  6.896  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 118  27.043 20.932 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 294  12.350 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   24.269 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         231  0.086  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2482 0.010  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     564  0.003  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            1034 1.365  1.511  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         1030 1.345  1.502  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1225 2.120  2.262  ? ? 
# 
_refine_ls_shell.d_res_high                       1.3400 
_refine_ls_shell.d_res_low                        1.3750 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               97.2000 
_refine_ls_shell.number_reflns_R_work             3188 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3630 
_refine_ls_shell.R_factor_R_free                  0.3240 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             140 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                3328 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HMW 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1492796719' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HMW 
_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              7HMW 
_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 7HMW MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HMW HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HMW HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HMW HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HMW HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HMW HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HMW HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HMW MET B 8 ? UNP Q62191 ? ? 'expression tag'        14 8 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 4  ? MET A 8  ? HIS B 10  MET B 14  5 ? 5 
HELX_P HELX_P2 AA2 ASP A 14 ? ALA A 18 ? ASP B 20  ALA B 24  5 ? 5 
HELX_P HELX_P3 AA3 SER A 94 ? ASN A 97 ? SER B 100 ASN B 103 5 ? 4 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           114 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            120 
_struct_mon_prot_cis.auth_asym_id           B 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    115 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     121 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    B 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -0.42 
# 
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                   7HMW 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             CG 
_pdbx_validate_rmsd_angle.auth_asym_id_1             B 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_1              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CD 
_pdbx_validate_rmsd_angle.auth_asym_id_2             B 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_2              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             NE 
_pdbx_validate_rmsd_angle.auth_asym_id_3             B 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_3              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                125.67 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            13.87 
_pdbx_validate_rmsd_angle.angle_standard_deviation   2.10 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    ASP 
_pdbx_validate_torsion.auth_asym_id    B 
_pdbx_validate_torsion.auth_seq_id     152 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -102.38 
_pdbx_validate_torsion.psi             50.99 
# 
_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     430 
_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 
S7G N1   N N N 300 
S7G C4   C Y N 301 
S7G C5   C Y N 302 
S7G C6   C Y N 303 
S7G C7   C Y N 304 
S7G C8   C Y N 305 
S7G C10  C N N 306 
S7G N    N N N 307 
S7G C    C N N 308 
S7G O    O N N 309 
S7G C1   C N N 310 
S7G C2   C N R 311 
S7G C3   C N N 312 
S7G C9   C Y N 313 
S7G H1   H N N 314 
S7G H2   H N N 315 
S7G H3   H N N 316 
S7G H4   H N N 317 
S7G H5   H N N 318 
S7G H6   H N N 319 
S7G H7   H N N 320 
S7G H8   H N N 321 
S7G H9   H N N 322 
S7G H10  H N N 323 
S7G H11  H N N 324 
S7G H12  H N N 325 
S7G H13  H N N 326 
S7G H14  H N N 327 
SER N    N N N 328 
SER CA   C N S 329 
SER C    C N N 330 
SER O    O N N 331 
SER CB   C N N 332 
SER OG   O N N 333 
SER OXT  O N N 334 
SER H    H N N 335 
SER H2   H N N 336 
SER HA   H N N 337 
SER HB2  H N N 338 
SER HB3  H N N 339 
SER HG   H N N 340 
SER HXT  H N N 341 
SO4 S    S N N 342 
SO4 O1   O N N 343 
SO4 O2   O N N 344 
SO4 O3   O N N 345 
SO4 O4   O N N 346 
THR N    N N N 347 
THR CA   C N S 348 
THR C    C N N 349 
THR O    O N N 350 
THR CB   C N R 351 
THR OG1  O N N 352 
THR CG2  C N N 353 
THR OXT  O N N 354 
THR H    H N N 355 
THR H2   H N N 356 
THR HA   H N N 357 
THR HB   H N N 358 
THR HG1  H N N 359 
THR HG21 H N N 360 
THR HG22 H N N 361 
THR HG23 H N N 362 
THR HXT  H N N 363 
TRP N    N N N 364 
TRP CA   C N S 365 
TRP C    C N N 366 
TRP O    O N N 367 
TRP CB   C N N 368 
TRP CG   C Y N 369 
TRP CD1  C Y N 370 
TRP CD2  C Y N 371 
TRP NE1  N Y N 372 
TRP CE2  C Y N 373 
TRP CE3  C Y N 374 
TRP CZ2  C Y N 375 
TRP CZ3  C Y N 376 
TRP CH2  C Y N 377 
TRP OXT  O N N 378 
TRP H    H N N 379 
TRP H2   H N N 380 
TRP HA   H N N 381 
TRP HB2  H N N 382 
TRP HB3  H N N 383 
TRP HD1  H N N 384 
TRP HE1  H N N 385 
TRP HE3  H N N 386 
TRP HZ2  H N N 387 
TRP HZ3  H N N 388 
TRP HH2  H N N 389 
TRP HXT  H N N 390 
TYR N    N N N 391 
TYR CA   C N S 392 
TYR C    C N N 393 
TYR O    O N N 394 
TYR CB   C N N 395 
TYR CG   C Y N 396 
TYR CD1  C Y N 397 
TYR CD2  C Y N 398 
TYR CE1  C Y N 399 
TYR CE2  C Y N 400 
TYR CZ   C Y N 401 
TYR OH   O N N 402 
TYR OXT  O N N 403 
TYR H    H N N 404 
TYR H2   H N N 405 
TYR HA   H N N 406 
TYR HB2  H N N 407 
TYR HB3  H N N 408 
TYR HD1  H N N 409 
TYR HD2  H N N 410 
TYR HE1  H N N 411 
TYR HE2  H N N 412 
TYR HH   H N N 413 
TYR HXT  H N N 414 
VAL N    N N N 415 
VAL CA   C N S 416 
VAL C    C N N 417 
VAL O    O N N 418 
VAL CB   C N N 419 
VAL CG1  C N N 420 
VAL CG2  C N N 421 
VAL OXT  O N N 422 
VAL H    H N N 423 
VAL H2   H N N 424 
VAL HA   H N N 425 
VAL HB   H N N 426 
VAL HG11 H N N 427 
VAL HG12 H N N 428 
VAL HG13 H N N 429 
VAL HG21 H N N 430 
VAL HG22 H N N 431 
VAL HG23 H N N 432 
VAL HXT  H N N 433 
# 
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 
S7G C5  C6   doub Y N 286 
S7G C5  C4   sing Y N 287 
S7G C6  C7   sing Y N 288 
S7G C7  C8   doub Y N 289 
S7G N1  C4   sing N N 290 
S7G N1  C3   sing N N 291 
S7G C4  C9   doub Y N 292 
S7G C8  C9   sing Y N 293 
S7G C3  C2   sing N N 294 
S7G C9  C10  sing N N 295 
S7G N   C2   sing N N 296 
S7G N   C1   sing N N 297 
S7G C   C1   sing N N 298 
S7G C2  C10  sing N N 299 
S7G C1  O    doub N N 300 
S7G N1  H1   sing N N 301 
S7G C5  H2   sing N N 302 
S7G C6  H3   sing N N 303 
S7G C7  H4   sing N N 304 
S7G C8  H5   sing N N 305 
S7G C10 H6   sing N N 306 
S7G C10 H7   sing N N 307 
S7G N   H8   sing N N 308 
S7G C   H9   sing N N 309 
S7G C   H10  sing N N 310 
S7G C   H11  sing N N 311 
S7G C2  H12  sing N N 312 
S7G C3  H13  sing N N 313 
S7G C3  H14  sing N N 314 
SER N   CA   sing N N 315 
SER N   H    sing N N 316 
SER N   H2   sing N N 317 
SER CA  C    sing N N 318 
SER CA  CB   sing N N 319 
SER CA  HA   sing N N 320 
SER C   O    doub N N 321 
SER C   OXT  sing N N 322 
SER CB  OG   sing N N 323 
SER CB  HB2  sing N N 324 
SER CB  HB3  sing N N 325 
SER OG  HG   sing N N 326 
SER OXT HXT  sing N N 327 
SO4 S   O1   doub N N 328 
SO4 S   O2   doub N N 329 
SO4 S   O3   sing N N 330 
SO4 S   O4   sing N N 331 
THR N   CA   sing N N 332 
THR N   H    sing N N 333 
THR N   H2   sing N N 334 
THR CA  C    sing N N 335 
THR CA  CB   sing N N 336 
THR CA  HA   sing N N 337 
THR C   O    doub N N 338 
THR C   OXT  sing N N 339 
THR CB  OG1  sing N N 340 
THR CB  CG2  sing N N 341 
THR CB  HB   sing N N 342 
THR OG1 HG1  sing N N 343 
THR CG2 HG21 sing N N 344 
THR CG2 HG22 sing N N 345 
THR CG2 HG23 sing N N 346 
THR OXT HXT  sing N N 347 
TRP N   CA   sing N N 348 
TRP N   H    sing N N 349 
TRP N   H2   sing N N 350 
TRP CA  C    sing N N 351 
TRP CA  CB   sing N N 352 
TRP CA  HA   sing N N 353 
TRP C   O    doub N N 354 
TRP C   OXT  sing N N 355 
TRP CB  CG   sing N N 356 
TRP CB  HB2  sing N N 357 
TRP CB  HB3  sing N N 358 
TRP CG  CD1  doub Y N 359 
TRP CG  CD2  sing Y N 360 
TRP CD1 NE1  sing Y N 361 
TRP CD1 HD1  sing N N 362 
TRP CD2 CE2  doub Y N 363 
TRP CD2 CE3  sing Y N 364 
TRP NE1 CE2  sing Y N 365 
TRP NE1 HE1  sing N N 366 
TRP CE2 CZ2  sing Y N 367 
TRP CE3 CZ3  doub Y N 368 
TRP CE3 HE3  sing N N 369 
TRP CZ2 CH2  doub Y N 370 
TRP CZ2 HZ2  sing N N 371 
TRP CZ3 CH2  sing Y N 372 
TRP CZ3 HZ3  sing N N 373 
TRP CH2 HH2  sing N N 374 
TRP OXT HXT  sing N N 375 
TYR N   CA   sing N N 376 
TYR N   H    sing N N 377 
TYR N   H2   sing N N 378 
TYR CA  C    sing N N 379 
TYR CA  CB   sing N N 380 
TYR CA  HA   sing N N 381 
TYR C   O    doub N N 382 
TYR C   OXT  sing N N 383 
TYR CB  CG   sing N N 384 
TYR CB  HB2  sing N N 385 
TYR CB  HB3  sing N N 386 
TYR CG  CD1  doub Y N 387 
TYR CG  CD2  sing Y N 388 
TYR CD1 CE1  sing Y N 389 
TYR CD1 HD1  sing N N 390 
TYR CD2 CE2  doub Y N 391 
TYR CD2 HD2  sing N N 392 
TYR CE1 CZ   doub Y N 393 
TYR CE1 HE1  sing N N 394 
TYR CE2 CZ   sing Y N 395 
TYR CE2 HE2  sing N N 396 
TYR CZ  OH   sing N N 397 
TYR OH  HH   sing N N 398 
TYR OXT HXT  sing N N 399 
VAL N   CA   sing N N 400 
VAL N   H    sing N N 401 
VAL N   H2   sing N N 402 
VAL CA  C    sing N N 403 
VAL CA  CB   sing N N 404 
VAL CA  HA   sing N N 405 
VAL C   O    doub N N 406 
VAL C   OXT  sing N N 407 
VAL CB  CG1  sing N N 408 
VAL CB  CG2  sing N N 409 
VAL CB  HB   sing N N 410 
VAL CG1 HG11 sing N N 411 
VAL CG1 HG12 sing N N 412 
VAL CG1 HG13 sing N N 413 
VAL CG2 HG21 sing N N 414 
VAL CG2 HG22 sing N N 415 
VAL CG2 HG23 sing N N 416 
VAL OXT HXT  sing N N 417 
# 
_pdbx_audit_support.ordinal                1 
_pdbx_audit_support.funding_organization   'European Union (EU)' 
_pdbx_audit_support.grant_number           875510 
_pdbx_audit_support.country                'European Union' 
# 
_pdbx_deposit_group.group_id            G_1002320 
_pdbx_deposit_group.group_description   
;PRYSPRY domain of murine TRIM21 screened against the DSI-poised Fragment Library by X-ray Crystallography at the XChem facility of Diamon Light Source
;
_pdbx_deposit_group.group_title         'PanDDA analysis group deposition' 
_pdbx_deposit_group.group_type          'changed state' 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   2VOK 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    7HMW 
_atom_sites.fract_transf_matrix[1][1]   0.010465 
_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]   0.010465 
_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]   0.021773 
_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   ? -13.453 -12.471 -10.096 1.00 55.58 ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.894 -13.271 -11.245 1.00 52.85 ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.716 -12.520 -11.881 1.00 51.18 ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.523 -11.326 -11.555 1.00 54.36 ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -13.998 -13.572 -12.272 1.00 45.90 ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.608 -12.356 -12.889 1.00 42.77 ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -14.063 -11.750 -14.008 1.00 42.68 ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.704 -11.631 -12.566 1.00 41.80 ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.787 -10.690 -14.335 1.00 42.59 ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.799 -10.586 -13.463 1.00 37.45 ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -10.998 -13.176 -12.797 1.00 46.15 ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.845  -12.603 -13.541 1.00 47.10 ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -10.079 -12.697 -15.062 1.00 43.50 ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -9.087  -12.874 -15.795 1.00 41.76 ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.552  -13.266 -13.026 1.00 55.65 ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -8.317  -13.004 -11.569 1.00 66.37 ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -7.952  -11.749 -11.083 1.00 66.84 ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -8.431  -13.804 -10.484 1.00 70.94 ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -7.840  -11.797 -9.771  1.00 69.30 ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -8.120  -13.049 -9.379  1.00 74.13 ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.326 -12.501 -15.536 1.00 34.11 ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.727 -12.665 -16.967 1.00 29.86 ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.679 -11.334 -17.729 1.00 29.87 ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.863 -11.353 -18.957 1.00 28.32 ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.137 -13.283 -17.092 1.00 28.57 ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.276 -14.644 -16.493 1.00 30.06 ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.355 -15.675 -16.730 1.00 29.82 ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.224 -15.168 -15.687 1.00 28.88 ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.749 -16.763 -16.092 1.00 33.26 ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.896 -16.480 -15.458 1.00 33.25 ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.461 -10.213 -17.036 1.00 30.50 ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.558 -8.831  -17.587 1.00 32.34 ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.684 -8.636  -18.837 1.00 32.53 ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.135 -7.918  -19.757 1.00 33.08 ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.243 -7.782  -16.496 1.00 36.83 ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -12.116 -7.914  -15.295 1.00 44.66 ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.758 -8.695  -14.197 1.00 52.15 ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.340 -7.406  -15.016 1.00 49.35 ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.717 -8.642  -13.287 1.00 54.47 ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.705 -7.863  -13.768 1.00 52.50 ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.497  -9.253  -18.899 1.00 29.83 ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.536  -9.147  -20.037 1.00 30.62 ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -9.076  -9.772  -21.328 1.00 29.50 ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.453  -9.550  -22.379 1.00 29.75 ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.171  -9.755  -19.662 1.00 33.81 ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.196  -11.193 -19.266 1.00 33.90 ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.603  -12.190 -20.037 1.00 39.99 ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.688  -11.813 -18.170 1.00 37.44 ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.746  -13.358 -19.442 1.00 34.85 ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.405  -13.158 -18.293 1.00 40.86 ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.170 -10.552 -21.284 1.00 25.10 ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.820 -11.124 -22.497 1.00 22.28 ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.937 -10.199 -22.958 1.00 20.06 ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.759 -10.649 -23.769 1.00 17.54 ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.377 -12.510 -22.239 1.00 20.58 ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.325 -13.501 -21.849 1.00 22.32 ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.279  -13.824 -22.706 1.00 23.54 ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -10.169 -14.208 -20.710 1.00 22.64 ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.513  -14.712 -22.092 1.00 21.37 ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -9.021  -14.952 -20.859 1.00 24.55 ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -11.972 -8.970  -22.457 1.00 20.50 ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -13.018 -7.977  -22.816 1.00 23.56 ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -13.137 -7.854  -24.337 1.00 22.16 ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -12.097 -7.692  -25.043 1.00 25.52 ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.680 -6.600  -22.233 1.00 27.32 ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.740 -5.527  -22.467 1.00 33.37 ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.279 -5.739  -21.493 1.00 44.34 ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -14.776 -5.035  -19.927 1.00 36.89 ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.360 -7.843  -24.853 1.00 19.24 ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.662 -7.614  -26.294 1.00 19.58 ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.647 -6.433  -26.386 1.00 20.53 ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.494 -6.262  -25.485 1.00 19.55 ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.204 -8.860  -27.016 1.00 21.48 ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -14.127 -9.917  -27.169 1.00 22.89 ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.419 -9.453  -26.351 1.00 21.00 ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.583 -5.679  -27.475 1.00 20.52 ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.459 -4.519  -27.718 1.00 21.09 ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.683 -5.026  -28.475 1.00 21.29 ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.560 -5.399  -29.650 1.00 23.77 ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.710 -3.446  -28.499 1.00 21.68 ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.494 -2.198  -28.722 1.00 25.48 ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.577 -1.204  -27.764 1.00 28.77 ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.206 -1.774  -29.793 1.00 29.00 ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.327 -0.218  -28.226 1.00 27.11 ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.718 -0.541  -29.479 1.00 31.15 ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.810 -5.143  -27.780 1.00 16.40 ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -20.065 -5.629  -28.395 1.00 18.58 ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.903 -4.444  -28.904 1.00 17.95 ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.928 -3.403  -28.271 1.00 17.41 ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.857 -6.455  -27.371 1.00 16.65 ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -20.048 -7.654  -26.846 1.00 18.87 ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.201 -6.863  -27.962 1.00 16.02 ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.525 -8.603  -27.918 1.00 18.20 ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.483 -4.622  -30.067 1.00 16.03 ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.461 -3.645  -30.641 1.00 16.45 ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.720 -4.405  -31.017 1.00 16.77 ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.670 -5.605  -31.311 1.00 17.77 ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.887 -2.887  -31.841 1.00 18.28 ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.548 -3.808  -32.862 1.00 18.95 ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.697 -2.015  -31.485 1.00 20.54 ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.862 -3.728  -30.983 1.00 15.13 ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -26.154 -4.371  -31.265 1.00 14.87 ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.449 -4.370  -32.767 1.00 14.81 ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -26.159 -3.348  -33.416 1.00 16.76 ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.230 -3.627  -30.480 1.00 15.39 ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -27.026 -3.701  -28.974 1.00 14.97 ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -28.022 -2.836  -28.227 1.00 17.03 ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -27.083 -5.152  -28.482 1.00 16.53 ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -27.107 -5.388  -33.244 1.00 13.24 ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.474 -5.565  -34.669 1.00 13.97 ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -28.964 -5.173  -34.840 1.00 15.69 ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.831 -5.980  -34.568 1.00 14.88 ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -27.150 -6.984  -35.165 1.00 14.39 ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.518 -7.249  -36.616 1.00 19.36 ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -28.159 -6.359  -37.204 1.00 19.17 ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -27.239 -8.365  -37.126 1.00 17.90 ? 20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -29.196 -3.936  -35.303 0.25 16.55 ? 21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -29.222 -3.957  -35.331 0.25 17.18 ? 21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.526 -3.327  -35.614 0.25 18.24 ? 21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.589 -3.379  -35.489 0.25 19.01 ? 21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.447 -4.279  -36.382 0.25 17.79 ? 21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.475 -4.184  -36.467 0.25 17.75 ? 21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.697 -4.260  -36.146 0.25 19.29 ? 21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.765 -3.898  -36.523 0.25 16.46 ? 21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.357 -2.110  -36.534 0.25 19.29 ? 21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.514 -1.955  -36.056 0.25 21.90 ? 21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.657 -0.937  -35.876 0.25 21.31 ? 21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.874 -0.934  -35.131 0.25 24.79 ? 21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.582 0.311   -36.741 0.25 21.08 ? 21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.463 -0.568  -35.567 0.25 27.94 ? 21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -29.000 1.363   -35.925 0.25 21.16 ? 21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -28.401 0.441   -36.625 0.25 30.27 ? 21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.637 1.894   -34.904 0.25 19.88 ? 21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -27.882 0.260   -37.841 0.25 32.67 ? 21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.859 1.479   -34.638 0.25 21.56 ? 21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -27.350 -0.899  -38.191 0.25 34.07 ? 21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -29.072 2.818   -34.158 0.25 21.25 ? 21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -27.889 1.255   -38.708 0.25 34.30 ? 21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.867 -5.047  -37.314 1.00 16.93 ? 22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.658 -5.891  -38.234 1.00 18.00 ? 22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.308 -7.067  -37.522 1.00 15.61 ? 22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.330 -7.539  -38.016 1.00 15.40 ? 22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.810 -6.324  -39.439 1.00 21.54 ? 22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.536 -5.180  -40.401 1.00 29.63 ? 22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -31.235 -4.158  -40.407 1.00 38.04 ? 22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.502 -5.332  -41.212 1.00 42.13 ? 22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.785 -7.468  -36.343 1.00 13.78 ? 23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.317 -8.565  -35.523 1.00 14.69 ? 23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.344 -8.050  -34.518 1.00 12.86 ? 23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -34.040 -8.875  -33.938 1.00 13.35 ? 23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -31.213 -9.360  -34.817 1.00 14.77 ? 23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.661 -8.534  -33.782 1.00 13.51 ? 23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -30.199 -9.883  -35.821 1.00 15.18 ? 23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.449 -6.742  -34.331 1.00 13.30 ? 24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -34.243 -6.193  -33.214 1.00 12.33 ? 24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.736 -6.381  -33.464 1.00 13.07 ? 24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -36.244 -6.083  -34.571 1.00 13.97 ? 24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -33.915 -4.751  -33.021 1.00 13.14 ? 24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.465 -6.686  -32.413 1.00 12.63 ? 25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -37.922 -6.512  -32.408 1.00 12.04 ? 25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -38.237 -5.069  -32.832 1.00 12.53 ? 25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.526 -4.111  -32.491 1.00 12.45 ? 25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.447 -6.867  -31.025 1.00 12.77 ? 25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -39.922 -6.599  -30.929 1.00 15.65 ? 25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.339 -5.497  -30.629 1.00 15.20 ? 25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.710 -7.581  -31.273 1.00 18.87 ? 25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.321 -4.914  -33.567 1.00 13.19 ? 26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.675 -3.621  -34.188 1.00 13.97 ? 26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -40.052 -2.504  -33.217 1.00 13.86 ? 26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -40.163 -1.369  -33.661 1.00 14.96 ? 26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.769 -3.809  -35.200 1.00 15.61 ? 26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.931 -4.307  -34.566 1.00 19.62 ? 26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -40.280 -2.834  -31.933 0.40 13.89 ? 27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.568 -1.882  -30.818 0.40 14.49 ? 27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.271 -1.269  -30.272 0.40 13.84 ? 27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.355 -0.233  -29.584 0.40 13.94 ? 27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.309 -2.558  -29.658 0.40 15.37 ? 27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.753 -2.917  -29.860 0.40 16.51 ? 27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.252 -3.991  -30.537 0.40 17.42 ? 27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -43.889 -2.250  -29.275 0.40 17.38 ? 27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.619 -4.023  -30.438 0.40 18.00 ? 27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -45.039 -2.969  -29.672 0.40 17.16 ? 27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -44.049 -1.115  -28.469 0.40 17.52 ? 27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.327 -2.585  -29.292 0.40 17.17 ? 27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.324 -0.749  -28.080 0.40 18.20 ? 27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.445 -1.469  -28.496 0.40 17.44 ? 27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -38.113 -1.902  -30.509 1.00 13.48 ? 28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.855 -1.490  -29.839 1.00 13.27 ? 28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.265 -0.228  -30.473 1.00 13.36 ? 28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.280 -0.077  -31.711 1.00 13.58 ? 28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.844 -2.637  -29.867 1.00 11.66 ? 28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.268 -3.889  -29.110 1.00 13.23 ? 28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -35.171 -4.949  -29.131 1.00 12.72 ? 28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.650 -3.556  -27.699 1.00 13.53 ? 28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.624 0.550   -29.615 1.00 13.52 ? 29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.835 1.746   -29.997 1.00 15.04 ? 29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.390 1.480   -29.578 1.00 14.10 ? 29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -33.116 1.417   -28.371 1.00 15.18 ? 29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.381 3.024   -29.374 1.00 16.63 ? 29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.875 3.269   -29.701 1.00 16.73 ? 29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.498 4.225   -29.782 1.00 16.89 ? 29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.478 4.394   -28.983 1.00 17.33 ? 29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.530 1.359   -30.573 1.00 16.99 ? 30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -31.069 1.171   -30.392 1.00 18.03 ? 30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.386 2.508   -30.604 1.00 19.19 ? 30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.652 3.191   -31.639 1.00 19.46 ? 30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.551 0.106   -31.339 1.00 18.78 ? 30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -31.064 -1.268  -30.915 1.00 22.03 ? 30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -29.026 0.103   -31.358 1.00 18.29 ? 30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -30.924 -2.275  -31.900 1.00 24.80 ? 30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.476 2.858   -29.722 1.00 17.86 ? 31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.797 4.163   -29.737 1.00 17.69 ? 31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -27.893 4.244   -30.980 1.00 17.18 ? 31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.540 3.227   -31.559 1.00 17.99 ? 31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -28.042 4.358   -28.462 1.00 18.39 ? 31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -27.048 3.339   -28.339 1.00 17.69 ? 31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.516 5.466   -31.354 1.00 20.71 ? 32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.653 5.713   -32.537 1.00 21.73 ? 32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.345 4.919   -32.420 1.00 18.54 ? 32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -24.914 4.415   -33.445 1.00 20.98 ? 32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -26.385 7.217   -32.627 1.00 24.49 ? 32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -25.448 7.606   -33.750 1.00 26.62 ? 32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.499 9.085   -33.995 1.00 27.71 ? 32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -25.347 9.895   -32.732 1.00 32.54 ? 32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.349 11.329  -33.075 1.00 32.13 ? 32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.772 4.835   -31.215 1.00 19.10 ? 33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.476 4.108   -31.003 1.00 18.58 ? 33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.688 2.585   -30.985 1.00 17.62 ? 33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.671 1.839   -30.882 1.00 18.31 ? 33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.729 4.618   -29.769 1.00 18.84 ? 33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.382 4.366   -28.426 1.00 19.69 ? 33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.479 3.726   -28.388 1.00 19.38 ? 33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.783 4.792   -27.434 1.00 23.80 ? 33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -24.931 2.118   -31.047 1.00 16.82 ? 34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.275 0.668   -31.069 1.00 16.65 ? 34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.818 0.016   -29.748 1.00 13.83 ? 34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.670 -1.212  -29.703 1.00 14.47 ? 34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.775 0.001   -32.349 1.00 20.13 ? 34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.445 0.609   -33.583 1.00 24.35 ? 34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -25.030 0.040   -34.906 1.00 33.91 ? 34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.589 0.030   -35.048 1.00 42.20 ? 34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.806 -1.047  -34.927 1.00 55.99 ? 34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.320 -2.257  -34.693 1.00 60.66 ? 34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.493 -0.901  -35.057 1.00 55.95 ? 34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.778 0.752   -28.666 1.00 13.67 ? 35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.380 0.229   -27.341 1.00 15.00 ? 35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.532 0.188   -26.343 1.00 15.57 ? 35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.315 -0.365  -25.249 1.00 15.98 ? 35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.213 1.002   -26.744 1.00 15.75 ? 35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -21.971 0.919   -27.623 1.00 17.47 ? 35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -21.085 -0.280  -27.399 1.00 19.05 ? 35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.340 -0.091  -26.159 1.00 21.66 ? 35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.606 -1.035  -25.551 1.00 19.73 ? 35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.553 -2.238  -26.070 1.00 19.75 ? 35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -18.963 -0.741  -24.429 1.00 21.81 ? 35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.688 0.806   -26.605 1.00 14.48 ? 36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -27.854 0.835   -25.694 1.00 14.57 ? 36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -29.115 0.457   -26.448 1.00 13.87 ? 36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.223 0.704   -27.664 1.00 14.01 ? 36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -28.098 2.212   -25.077 1.00 16.90 ? 36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -26.841 2.830   -24.537 1.00 19.62 ? 36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -27.181 4.046   -23.704 1.00 22.61 ? 36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.329 4.263   -23.306 1.00 24.94 ? 36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -26.178 4.865   -23.504 1.00 25.70 ? 36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -30.031 -0.165  -25.740 1.00 12.79 ? 37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.339 -0.539  -26.322 1.00 12.91 ? 37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.412 -0.347  -25.258 1.00 12.95 ? 37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.204 -0.730  -24.112 1.00 12.78 ? 37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.318 -1.947  -26.921 1.00 12.13 ? 37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -30.881 -3.039  -25.926 1.00 12.02 ? 37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.660 -2.288  -27.540 1.00 13.31 ? 37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.559 0.156   -25.663 1.00 13.41 ? 38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.729 0.266   -24.773 1.00 14.03 ? 38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -35.998 -0.015  -25.582 1.00 14.21 ? 38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -36.009 0.068   -26.819 1.00 12.53 ? 38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.844 1.634   -24.092 1.00 15.58 ? 38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -35.075 2.779   -25.065 1.00 18.57 ? 38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -35.021 4.088   -24.287 1.00 21.78 ? 38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -35.365 5.207   -25.161 1.00 26.31 ? 38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -36.589 5.667   -25.397 1.00 24.29 ? 38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -37.662 5.107   -24.870 1.00 25.89 ? 38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -36.732 6.695   -26.228 1.00 30.39 ? 38  ARG B NH2 1 
ATOM   283  N N   A MET A 1 33  ? -37.045 -0.349  -24.827 0.22 13.24 ? 39  MET B N   1 
ATOM   284  N N   B MET A 1 33  ? -37.068 -0.377  -24.886 0.18 14.82 ? 39  MET B N   1 
ATOM   285  C CA  A MET A 1 33  ? -38.446 -0.470  -25.297 0.22 14.04 ? 39  MET B CA  1 
ATOM   286  C CA  B MET A 1 33  ? -38.365 -0.671  -25.538 0.18 16.61 ? 39  MET B CA  1 
ATOM   287  C C   A MET A 1 33  ? -38.940 0.902   -25.751 0.22 13.89 ? 39  MET B C   1 
ATOM   288  C C   B MET A 1 33  ? -39.144 0.638   -25.705 0.18 15.86 ? 39  MET B C   1 
ATOM   289  O O   A MET A 1 33  ? -38.828 1.892   -24.996 0.22 13.16 ? 39  MET B O   1 
ATOM   290  O O   B MET A 1 33  ? -39.446 1.282   -24.681 0.18 16.14 ? 39  MET B O   1 
ATOM   291  C CB  A MET A 1 33  ? -39.346 -0.976  -24.167 0.22 13.89 ? 39  MET B CB  1 
ATOM   292  C CB  B MET A 1 33  ? -39.170 -1.667  -24.704 0.18 18.15 ? 39  MET B CB  1 
ATOM   293  C CG  A MET A 1 33  ? -40.808 -1.073  -24.567 0.22 13.85 ? 39  MET B CG  1 
ATOM   294  C CG  B MET A 1 33  ? -40.612 -1.741  -25.134 0.18 20.70 ? 39  MET B CG  1 
ATOM   295  S SD  A MET A 1 33  ? -41.074 -2.271  -25.923 0.22 13.31 ? 39  MET B SD  1 
ATOM   296  S SD  B MET A 1 33  ? -41.246 -3.412  -25.039 0.18 22.09 ? 39  MET B SD  1 
ATOM   297  C CE  A MET A 1 33  ? -42.859 -2.287  -25.933 0.22 15.41 ? 39  MET B CE  1 
ATOM   298  C CE  B MET A 1 33  ? -42.010 -3.462  -26.653 0.18 22.39 ? 39  MET B CE  1 
ATOM   299  N N   . GLY A 1 34  ? -39.473 0.968   -26.959 1.00 15.41 ? 40  GLY B N   1 
ATOM   300  C CA  . GLY A 1 34  ? -40.283 2.147   -27.329 1.00 16.07 ? 40  GLY B CA  1 
ATOM   301  C C   . GLY A 1 34  ? -41.735 1.951   -26.908 1.00 17.77 ? 40  GLY B C   1 
ATOM   302  O O   . GLY A 1 34  ? -42.103 0.854   -26.497 1.00 18.01 ? 40  GLY B O   1 
ATOM   303  N N   . ASP A 1 35  ? -42.524 3.022   -27.017 1.00 22.50 ? 41  ASP B N   1 
ATOM   304  C CA  . ASP A 1 35  ? -43.967 2.992   -26.648 1.00 24.59 ? 41  ASP B CA  1 
ATOM   305  C C   . ASP A 1 35  ? -44.806 2.630   -27.885 1.00 21.91 ? 41  ASP B C   1 
ATOM   306  O O   . ASP A 1 35  ? -46.033 2.481   -27.753 1.00 20.66 ? 41  ASP B O   1 
ATOM   307  C CB  . ASP A 1 35  ? -44.364 4.309   -25.952 1.00 31.73 ? 41  ASP B CB  1 
ATOM   308  C CG  . ASP A 1 35  ? -43.815 4.439   -24.521 1.00 45.13 ? 41  ASP B CG  1 
ATOM   309  O OD1 . ASP A 1 35  ? -43.369 3.406   -23.957 1.00 55.03 ? 41  ASP B OD1 1 
ATOM   310  O OD2 . ASP A 1 35  ? -43.835 5.565   -23.952 1.00 51.65 ? 41  ASP B OD2 1 
ATOM   311  N N   . THR A 1 36  ? -44.188 2.390   -29.034 1.00 18.22 ? 42  THR B N   1 
ATOM   312  C CA  . THR A 1 36  ? -44.909 2.057   -30.293 1.00 18.34 ? 42  THR B CA  1 
ATOM   313  C C   . THR A 1 36  ? -43.965 1.332   -31.264 1.00 15.93 ? 42  THR B C   1 
ATOM   314  O O   . THR A 1 36  ? -42.682 1.307   -31.036 1.00 14.79 ? 42  THR B O   1 
ATOM   315  C CB  . THR A 1 36  ? -45.493 3.357   -30.859 1.00 19.06 ? 42  THR B CB  1 
ATOM   316  O OG1 . THR A 1 36  ? -46.332 2.997   -31.944 1.00 23.54 ? 42  THR B OG1 1 
ATOM   317  C CG2 . THR A 1 36  ? -44.406 4.298   -31.323 1.00 20.64 ? 42  THR B CG2 1 
ATOM   318  N N   . HIS A 1 37  ? -44.465 0.870   -32.409 1.00 16.42 ? 43  HIS B N   1 
ATOM   319  C CA  . HIS A 1 37  ? -43.633 0.381   -33.547 1.00 17.18 ? 43  HIS B CA  1 
ATOM   320  C C   . HIS A 1 37  ? -42.661 1.478   -33.988 1.00 17.19 ? 43  HIS B C   1 
ATOM   321  O O   . HIS A 1 37  ? -43.089 2.649   -34.155 1.00 19.06 ? 43  HIS B O   1 
ATOM   322  C CB  . HIS A 1 37  ? -44.564 -0.112  -34.677 1.00 16.98 ? 43  HIS B CB  1 
ATOM   323  C CG  . HIS A 1 37  ? -43.949 -0.773  -35.866 1.00 15.99 ? 43  HIS B CG  1 
ATOM   324  N ND1 . HIS A 1 37  ? -43.136 -0.135  -36.779 1.00 16.12 ? 43  HIS B ND1 1 
ATOM   325  C CD2 . HIS A 1 37  ? -44.073 -2.049  -36.303 1.00 15.74 ? 43  HIS B CD2 1 
ATOM   326  C CE1 . HIS A 1 37  ? -42.820 -0.979  -37.732 1.00 15.52 ? 43  HIS B CE1 1 
ATOM   327  N NE2 . HIS A 1 37  ? -43.351 -2.216  -37.435 1.00 16.01 ? 43  HIS B NE2 1 
ATOM   328  N N   . GLN A 1 38  ? -41.379 1.144   -34.200 1.00 15.38 ? 44  GLN B N   1 
ATOM   329  C CA  . GLN A 1 38  ? -40.335 2.142   -34.513 1.00 15.90 ? 44  GLN B CA  1 
ATOM   330  C C   . GLN A 1 38  ? -40.165 2.388   -36.033 1.00 17.14 ? 44  GLN B C   1 
ATOM   331  O O   . GLN A 1 38  ? -39.119 2.934   -36.441 1.00 18.14 ? 44  GLN B O   1 
ATOM   332  C CB  . GLN A 1 38  ? -39.039 1.738   -33.817 1.00 15.42 ? 44  GLN B CB  1 
ATOM   333  C CG  . GLN A 1 38  ? -39.163 1.783   -32.325 1.00 15.08 ? 44  GLN B CG  1 
ATOM   334  C CD  . GLN A 1 38  ? -39.671 3.108   -31.826 1.00 16.54 ? 44  GLN B CD  1 
ATOM   335  O OE1 . GLN A 1 38  ? -40.653 3.218   -31.065 1.00 18.36 ? 44  GLN B OE1 1 
ATOM   336  N NE2 . GLN A 1 38  ? -39.026 4.176   -32.270 1.00 15.18 ? 44  GLN B NE2 1 
ATOM   337  N N   . ASN A 1 39  ? -41.140 2.041   -36.845 1.00 15.90 ? 45  ASN B N   1 
ATOM   338  C CA  . ASN A 1 39  ? -41.205 2.473   -38.280 1.00 14.27 ? 45  ASN B CA  1 
ATOM   339  C C   . ASN A 1 39  ? -40.084 1.850   -39.108 1.00 16.20 ? 45  ASN B C   1 
ATOM   340  O O   . ASN A 1 39  ? -39.614 2.444   -40.088 1.00 18.00 ? 45  ASN B O   1 
ATOM   341  C CB  . ASN A 1 39  ? -41.269 4.010   -38.386 1.00 14.02 ? 45  ASN B CB  1 
ATOM   342  C CG  . ASN A 1 39  ? -41.852 4.442   -39.719 1.00 15.02 ? 45  ASN B CG  1 
ATOM   343  O OD1 . ASN A 1 39  ? -42.718 3.771   -40.272 1.00 14.63 ? 45  ASN B OD1 1 
ATOM   344  N ND2 . ASN A 1 39  ? -41.417 5.585   -40.251 1.00 14.94 ? 45  ASN B ND2 1 
ATOM   345  N N   . VAL A 1 40  ? -39.776 0.578   -38.848 1.00 17.26 ? 46  VAL B N   1 
ATOM   346  C CA  . VAL A 1 40  ? -38.825 -0.246  -39.648 1.00 19.46 ? 46  VAL B CA  1 
ATOM   347  C C   . VAL A 1 40  ? -39.607 -1.298  -40.431 1.00 17.68 ? 46  VAL B C   1 
ATOM   348  O O   . VAL A 1 40  ? -40.656 -1.679  -39.973 1.00 18.25 ? 46  VAL B O   1 
ATOM   349  C CB  . VAL A 1 40  ? -37.800 -0.924  -38.726 1.00 19.72 ? 46  VAL B CB  1 
ATOM   350  C CG1 . VAL A 1 40  ? -36.898 0.112   -38.082 1.00 22.94 ? 46  VAL B CG1 1 
ATOM   351  C CG2 . VAL A 1 40  ? -38.467 -1.799  -37.665 1.00 22.10 ? 46  VAL B CG2 1 
ATOM   352  N N   . SER A 1 41  ? -39.063 -1.777  -41.541 1.00 19.65 ? 47  SER B N   1 
ATOM   353  C CA  . SER A 1 41  ? -39.639 -2.908  -42.301 1.00 20.82 ? 47  SER B CA  1 
ATOM   354  C C   . SER A 1 41  ? -39.395 -4.228  -41.572 1.00 20.08 ? 47  SER B C   1 
ATOM   355  O O   . SER A 1 41  ? -38.430 -4.328  -40.798 1.00 17.75 ? 47  SER B O   1 
ATOM   356  C CB  . SER A 1 41  ? -39.125 -2.962  -43.714 1.00 21.89 ? 47  SER B CB  1 
ATOM   357  O OG  . SER A 1 41  ? -37.722 -3.120  -43.706 1.00 24.42 ? 47  SER B OG  1 
ATOM   358  N N   . ASP A 1 42  ? -40.264 -5.208  -41.797 1.00 20.43 ? 48  ASP B N   1 
ATOM   359  C CA  . ASP A 1 42  ? -40.148 -6.564  -41.221 1.00 19.13 ? 48  ASP B CA  1 
ATOM   360  C C   . ASP A 1 42  ? -39.111 -7.298  -42.058 1.00 19.92 ? 48  ASP B C   1 
ATOM   361  O O   . ASP A 1 42  ? -38.839 -6.948  -43.239 1.00 20.14 ? 48  ASP B O   1 
ATOM   362  C CB  . ASP A 1 42  ? -41.488 -7.305  -41.096 1.00 21.19 ? 48  ASP B CB  1 
ATOM   363  C CG  . ASP A 1 42  ? -41.539 -8.321  -39.939 1.00 25.08 ? 48  ASP B CG  1 
ATOM   364  O OD1 . ASP A 1 42  ? -40.504 -8.492  -39.260 1.00 18.93 ? 48  ASP B OD1 1 
ATOM   365  O OD2 . ASP A 1 42  ? -42.669 -8.902  -39.629 1.00 27.83 ? 48  ASP B OD2 1 
ATOM   366  N N   . ASN A 1 43  ? -38.519 -8.307  -41.443 1.00 17.64 ? 49  ASN B N   1 
ATOM   367  C CA  . ASN A 1 43  ? -37.529 -9.200  -42.084 1.00 18.93 ? 49  ASN B CA  1 
ATOM   368  C C   . ASN A 1 43  ? -37.499 -10.512 -41.295 1.00 20.08 ? 49  ASN B C   1 
ATOM   369  O O   . ASN A 1 43  ? -38.038 -10.562 -40.159 1.00 19.73 ? 49  ASN B O   1 
ATOM   370  C CB  . ASN A 1 43  ? -36.179 -8.537  -42.286 1.00 17.62 ? 49  ASN B CB  1 
ATOM   371  C CG  . ASN A 1 43  ? -35.402 -8.323  -41.002 1.00 18.92 ? 49  ASN B CG  1 
ATOM   372  O OD1 . ASN A 1 43  ? -35.190 -9.278  -40.258 1.00 20.83 ? 49  ASN B OD1 1 
ATOM   373  N ND2 . ASN A 1 43  ? -34.996 -7.120  -40.731 1.00 17.43 ? 49  ASN B ND2 1 
ATOM   374  N N   . LYS A 1 44  ? -36.869 -11.542 -41.856 1.00 21.04 ? 50  LYS B N   1 
ATOM   375  C CA  . LYS A 1 44  ? -36.905 -12.899 -41.270 1.00 22.17 ? 50  LYS B CA  1 
ATOM   376  C C   . LYS A 1 44  ? -36.007 -12.960 -40.023 1.00 19.29 ? 50  LYS B C   1 
ATOM   377  O O   . LYS A 1 44  ? -36.204 -13.925 -39.233 1.00 21.11 ? 50  LYS B O   1 
ATOM   378  C CB  . LYS A 1 44  ? -36.429 -13.943 -42.294 1.00 25.45 ? 50  LYS B CB  1 
ATOM   379  C CG  . LYS A 1 44  ? -34.961 -13.820 -42.673 1.00 30.25 ? 50  LYS B CG  1 
ATOM   380  C CD  . LYS A 1 44  ? -34.520 -14.772 -43.784 1.00 40.30 ? 50  LYS B CD  1 
ATOM   381  C CE  . LYS A 1 44  ? -33.042 -15.095 -43.699 1.00 45.00 ? 50  LYS B CE  1 
ATOM   382  N NZ  . LYS A 1 44  ? -32.668 -16.113 -44.709 1.00 49.83 ? 50  LYS B NZ  1 
ATOM   383  N N   . GLU A 1 45  ? -35.089 -12.011 -39.839 1.00 18.13 ? 51  GLU B N   1 
ATOM   384  C CA  . GLU A 1 45  ? -34.168 -12.011 -38.670 1.00 18.78 ? 51  GLU B CA  1 
ATOM   385  C C   . GLU A 1 45  ? -34.837 -11.433 -37.423 1.00 17.87 ? 51  GLU B C   1 
ATOM   386  O O   . GLU A 1 45  ? -34.338 -11.703 -36.293 1.00 17.03 ? 51  GLU B O   1 
ATOM   387  C CB  . GLU A 1 45  ? -32.933 -11.168 -38.914 1.00 21.22 ? 51  GLU B CB  1 
ATOM   388  C CG  . GLU A 1 45  ? -32.056 -11.541 -40.112 1.00 27.09 ? 51  GLU B CG  1 
ATOM   389  C CD  . GLU A 1 45  ? -30.908 -10.541 -40.253 1.00 37.16 ? 51  GLU B CD  1 
ATOM   390  O OE1 . GLU A 1 45  ? -30.976 -9.666  -41.163 1.00 51.42 ? 51  GLU B OE1 1 
ATOM   391  O OE2 . GLU A 1 45  ? -29.981 -10.558 -39.413 1.00 46.46 ? 51  GLU B OE2 1 
ATOM   392  N N   . ARG A 1 46  ? -35.869 -10.584 -37.545 1.00 14.94 ? 52  ARG B N   1 
ATOM   393  C CA  . ARG A 1 46  ? -36.344 -9.868  -36.324 1.00 15.09 ? 52  ARG B CA  1 
ATOM   394  C C   . ARG A 1 46  ? -37.077 -10.784 -35.359 1.00 13.98 ? 52  ARG B C   1 
ATOM   395  O O   . ARG A 1 46  ? -37.963 -11.610 -35.737 1.00 15.56 ? 52  ARG B O   1 
ATOM   396  C CB  . ARG A 1 46  ? -37.309 -8.742  -36.688 1.00 14.57 ? 52  ARG B CB  1 
ATOM   397  C CG  . ARG A 1 46  ? -36.713 -7.611  -37.482 1.00 15.67 ? 52  ARG B CG  1 
ATOM   398  C CD  . ARG A 1 46  ? -37.640 -6.379  -37.430 1.00 14.85 ? 52  ARG B CD  1 
ATOM   399  N NE  . ARG A 1 46  ? -37.139 -5.388  -38.327 1.00 15.73 ? 52  ARG B NE  1 
ATOM   400  C CZ  . ARG A 1 46  ? -36.047 -4.669  -38.120 1.00 15.89 ? 52  ARG B CZ  1 
ATOM   401  N NH1 . ARG A 1 46  ? -35.424 -4.672  -36.944 1.00 13.93 ? 52  ARG B NH1 1 
ATOM   402  N NH2 . ARG A 1 46  ? -35.584 -3.884  -39.078 1.00 19.13 ? 52  ARG B NH2 1 
ATOM   403  N N   . PHE A 1 47  ? -36.769 -10.695 -34.067 1.00 12.77 ? 53  PHE B N   1 
ATOM   404  C CA  . PHE A 1 47  ? -37.568 -11.394 -33.055 1.00 13.05 ? 53  PHE B CA  1 
ATOM   405  C C   . PHE A 1 47  ? -38.985 -10.794 -33.042 1.00 14.57 ? 53  PHE B C   1 
ATOM   406  O O   . PHE A 1 47  ? -39.095 -9.606  -32.822 1.00 15.91 ? 53  PHE B O   1 
ATOM   407  C CB  . PHE A 1 47  ? -36.948 -11.332 -31.681 1.00 12.49 ? 53  PHE B CB  1 
ATOM   408  C CG  . PHE A 1 47  ? -35.696 -12.163 -31.534 1.00 11.92 ? 53  PHE B CG  1 
ATOM   409  C CD1 . PHE A 1 47  ? -35.809 -13.523 -31.300 1.00 12.70 ? 53  PHE B CD1 1 
ATOM   410  C CD2 . PHE A 1 47  ? -34.431 -11.615 -31.625 1.00 12.66 ? 53  PHE B CD2 1 
ATOM   411  C CE1 . PHE A 1 47  ? -34.690 -14.323 -31.134 1.00 12.78 ? 53  PHE B CE1 1 
ATOM   412  C CE2 . PHE A 1 47  ? -33.306 -12.422 -31.463 1.00 12.87 ? 53  PHE B CE2 1 
ATOM   413  C CZ  . PHE A 1 47  ? -33.448 -13.781 -31.231 1.00 11.71 ? 53  PHE B CZ  1 
ATOM   414  N N   . SER A 1 48  ? -40.017 -11.595 -33.266 1.00 15.37 ? 54  SER B N   1 
ATOM   415  C CA  . SER A 1 48  ? -41.398 -11.054 -33.423 1.00 16.53 ? 54  SER B CA  1 
ATOM   416  C C   . SER A 1 48  ? -42.139 -10.967 -32.090 1.00 16.51 ? 54  SER B C   1 
ATOM   417  O O   . SER A 1 48  ? -42.918 -9.994  -31.924 1.00 18.51 ? 54  SER B O   1 
ATOM   418  C CB  . SER A 1 48  ? -42.128 -11.878 -34.429 1.00 16.03 ? 54  SER B CB  1 
ATOM   419  O OG  . SER A 1 48  ? -42.241 -13.220 -34.021 1.00 15.96 ? 54  SER B OG  1 
ATOM   420  N N   . ASN A 1 49  ? -42.009 -11.919 -31.196 1.00 14.97 ? 55  ASN B N   1 
ATOM   421  C CA  . ASN A 1 49  ? -42.920 -12.079 -30.041 1.00 15.77 ? 55  ASN B CA  1 
ATOM   422  C C   . ASN A 1 49  ? -42.415 -11.350 -28.795 1.00 14.77 ? 55  ASN B C   1 
ATOM   423  O O   . ASN A 1 49  ? -43.173 -11.219 -27.825 1.00 16.43 ? 55  ASN B O   1 
ATOM   424  C CB  . ASN A 1 49  ? -43.219 -13.540 -29.735 1.00 16.45 ? 55  ASN B CB  1 
ATOM   425  C CG  . ASN A 1 49  ? -44.135 -14.203 -30.759 1.00 20.67 ? 55  ASN B CG  1 
ATOM   426  O OD1 . ASN A 1 49  ? -43.930 -14.097 -31.970 1.00 22.27 ? 55  ASN B OD1 1 
ATOM   427  N ND2 . ASN A 1 49  ? -45.087 -14.979 -30.258 1.00 24.60 ? 55  ASN B ND2 1 
ATOM   428  N N   . TYR A 1 50  ? -41.109 -11.063 -28.743 1.00 12.91 ? 56  TYR B N   1 
ATOM   429  C CA  . TYR A 1 50  ? -40.484 -10.574 -27.488 1.00 13.47 ? 56  TYR B CA  1 
ATOM   430  C C   . TYR A 1 50  ? -39.537 -9.431  -27.819 1.00 12.28 ? 56  TYR B C   1 
ATOM   431  O O   . TYR A 1 50  ? -39.042 -9.354  -28.943 1.00 12.74 ? 56  TYR B O   1 
ATOM   432  C CB  . TYR A 1 50  ? -39.668 -11.692 -26.842 1.00 13.72 ? 56  TYR B CB  1 
ATOM   433  C CG  . TYR A 1 50  ? -40.375 -13.021 -26.738 1.00 14.48 ? 56  TYR B CG  1 
ATOM   434  C CD1 . TYR A 1 50  ? -41.360 -13.223 -25.787 1.00 15.91 ? 56  TYR B CD1 1 
ATOM   435  C CD2 . TYR A 1 50  ? -40.100 -14.075 -27.586 1.00 15.35 ? 56  TYR B CD2 1 
ATOM   436  C CE1 . TYR A 1 50  ? -42.055 -14.430 -25.674 1.00 17.46 ? 56  TYR B CE1 1 
ATOM   437  C CE2 . TYR A 1 50  ? -40.791 -15.274 -27.510 1.00 16.99 ? 56  TYR B CE2 1 
ATOM   438  C CZ  . TYR A 1 50  ? -41.747 -15.469 -26.528 1.00 16.11 ? 56  TYR B CZ  1 
ATOM   439  O OH  . TYR A 1 50  ? -42.391 -16.686 -26.461 1.00 17.48 ? 56  TYR B OH  1 
ATOM   440  N N   . PRO A 1 51  ? -39.275 -8.473  -26.899 0.40 12.45 ? 57  PRO B N   1 
ATOM   441  C CA  . PRO A 1 51  ? -38.377 -7.354  -27.201 0.40 12.35 ? 57  PRO B CA  1 
ATOM   442  C C   . PRO A 1 51  ? -36.892 -7.755  -27.078 0.40 12.59 ? 57  PRO B C   1 
ATOM   443  O O   . PRO A 1 51  ? -36.173 -7.318  -26.191 0.40 14.48 ? 57  PRO B O   1 
ATOM   444  C CB  . PRO A 1 51  ? -38.814 -6.260  -26.213 0.40 12.63 ? 57  PRO B CB  1 
ATOM   445  C CG  . PRO A 1 51  ? -39.386 -7.026  -25.043 0.40 12.47 ? 57  PRO B CG  1 
ATOM   446  C CD  . PRO A 1 51  ? -39.963 -8.304  -25.609 0.40 12.10 ? 57  PRO B CD  1 
ATOM   447  N N   . MET A 1 52  ? -36.480 -8.616  -28.015 1.00 11.98 ? 58  MET B N   1 
ATOM   448  C CA  . MET A 1 52  ? -35.115 -9.199  -28.092 1.00 11.23 ? 58  MET B CA  1 
ATOM   449  C C   . MET A 1 52  ? -34.319 -8.596  -29.231 1.00 10.90 ? 58  MET B C   1 
ATOM   450  O O   . MET A 1 52  ? -34.845 -8.138  -30.271 1.00 11.58 ? 58  MET B O   1 
ATOM   451  C CB  . MET A 1 52  ? -35.236 -10.713 -28.286 1.00 11.37 ? 58  MET B CB  1 
ATOM   452  C CG  . MET A 1 52  ? -35.784 -11.404 -27.078 1.00 11.16 ? 58  MET B CG  1 
ATOM   453  S SD  . MET A 1 52  ? -36.305 -13.111 -27.475 1.00 13.01 ? 58  MET B SD  1 
ATOM   454  C CE  . MET A 1 52  ? -36.839 -13.708 -25.885 1.00 13.40 ? 58  MET B CE  1 
ATOM   455  N N   . VAL A 1 53  ? -32.989 -8.658  -29.092 1.00 10.72 ? 59  VAL B N   1 
ATOM   456  C CA  . VAL A 1 53  ? -32.011 -8.227  -30.131 1.00 11.31 ? 59  VAL B CA  1 
ATOM   457  C C   . VAL A 1 53  ? -30.709 -9.006  -29.918 1.00 11.76 ? 59  VAL B C   1 
ATOM   458  O O   . VAL A 1 53  ? -30.405 -9.382  -28.743 1.00 11.74 ? 59  VAL B O   1 
ATOM   459  C CB  . VAL A 1 53  ? -31.807 -6.692  -30.088 1.00 11.62 ? 59  VAL B CB  1 
ATOM   460  C CG1 . VAL A 1 53  ? -31.307 -6.221  -28.745 1.00 12.64 ? 59  VAL B CG1 1 
ATOM   461  C CG2 . VAL A 1 53  ? -30.916 -6.185  -31.217 1.00 11.84 ? 59  VAL B CG2 1 
ATOM   462  N N   . LEU A 1 54  ? -29.955 -9.210  -30.978 1.00 11.29 ? 60  LEU B N   1 
ATOM   463  C CA  . LEU A 1 54  ? -28.626 -9.864  -30.926 1.00 11.13 ? 60  LEU B CA  1 
ATOM   464  C C   . LEU A 1 54  ? -27.516 -8.857  -31.062 1.00 12.81 ? 60  LEU B C   1 
ATOM   465  O O   . LEU A 1 54  ? -27.648 -7.798  -31.785 1.00 12.65 ? 60  LEU B O   1 
ATOM   466  C CB  . LEU A 1 54  ? -28.470 -10.930 -32.026 1.00 11.30 ? 60  LEU B CB  1 
ATOM   467  C CG  . LEU A 1 54  ? -29.550 -11.983 -32.054 1.00 12.28 ? 60  LEU B CG  1 
ATOM   468  C CD1 . LEU A 1 54  ? -29.295 -13.104 -33.050 1.00 13.87 ? 60  LEU B CD1 1 
ATOM   469  C CD2 . LEU A 1 54  ? -29.785 -12.608 -30.666 1.00 12.46 ? 60  LEU B CD2 1 
ATOM   470  N N   . GLY A 1 55  ? -26.371 -9.199  -30.477 1.00 11.89 ? 61  GLY B N   1 
ATOM   471  C CA  . GLY A 1 55  ? -25.124 -8.508  -30.843 1.00 12.24 ? 61  GLY B CA  1 
ATOM   472  C C   . GLY A 1 55  ? -24.723 -8.820  -32.289 1.00 12.12 ? 61  GLY B C   1 
ATOM   473  O O   . GLY A 1 55  ? -25.013 -9.912  -32.758 1.00 12.85 ? 61  GLY B O   1 
ATOM   474  N N   . ALA A 1 56  ? -23.935 -7.958  -32.896 1.00 14.23 ? 62  ALA B N   1 
ATOM   475  C CA  . ALA A 1 56  ? -23.442 -8.165  -34.277 1.00 15.82 ? 62  ALA B CA  1 
ATOM   476  C C   . ALA A 1 56  ? -22.307 -9.198  -34.298 1.00 16.19 ? 62  ALA B C   1 
ATOM   477  O O   . ALA A 1 56  ? -22.154 -9.902  -35.329 1.00 18.48 ? 62  ALA B O   1 
ATOM   478  C CB  . ALA A 1 56  ? -22.974 -6.851  -34.802 1.00 16.80 ? 62  ALA B CB  1 
ATOM   479  N N   . GLN A 1 57  ? -21.552 -9.284  -33.220 1.00 15.71 ? 63  GLN B N   1 
ATOM   480  C CA  . GLN A 1 57  ? -20.343 -10.140 -33.207 1.00 15.63 ? 63  GLN B CA  1 
ATOM   481  C C   . GLN A 1 57  ? -20.779 -11.610 -33.215 1.00 16.58 ? 63  GLN B C   1 
ATOM   482  O O   . GLN A 1 57  ? -21.777 -11.980 -32.556 1.00 15.97 ? 63  GLN B O   1 
ATOM   483  C CB  . GLN A 1 57  ? -19.503 -9.791  -31.976 1.00 17.75 ? 63  GLN B CB  1 
ATOM   484  C CG  . GLN A 1 57  ? -18.819 -8.437  -32.051 1.00 19.85 ? 63  GLN B CG  1 
ATOM   485  C CD  . GLN A 1 57  ? -19.778 -7.265  -31.934 1.00 19.77 ? 63  GLN B CD  1 
ATOM   486  O OE1 . GLN A 1 57  ? -20.755 -7.331  -31.195 1.00 18.93 ? 63  GLN B OE1 1 
ATOM   487  N NE2 . GLN A 1 57  ? -19.514 -6.177  -32.630 1.00 22.06 ? 63  GLN B NE2 1 
ATOM   488  N N   . ARG A 1 58  ? -20.035 -12.455 -33.932 1.00 16.30 ? 64  ARG B N   1 
ATOM   489  C CA  . ARG A 1 58  ? -20.210 -13.919 -33.911 1.00 16.80 ? 64  ARG B CA  1 
ATOM   490  C C   . ARG A 1 58  ? -18.940 -14.564 -33.355 1.00 15.61 ? 64  ARG B C   1 
ATOM   491  O O   . ARG A 1 58  ? -17.819 -14.127 -33.695 1.00 18.85 ? 64  ARG B O   1 
ATOM   492  C CB  . ARG A 1 58  ? -20.385 -14.486 -35.327 1.00 19.53 ? 64  ARG B CB  1 
ATOM   493  C CG  . ARG A 1 58  ? -21.764 -14.335 -35.967 1.00 27.45 ? 64  ARG B CG  1 
ATOM   494  C CD  . ARG A 1 58  ? -22.323 -12.929 -35.911 1.00 30.06 ? 64  ARG B CD  1 
ATOM   495  N NE  . ARG A 1 58  ? -23.248 -12.334 -36.888 1.00 34.93 ? 64  ARG B NE  1 
ATOM   496  C CZ  . ARG A 1 58  ? -23.898 -12.939 -37.879 1.00 33.67 ? 64  ARG B CZ  1 
ATOM   497  N NH1 . ARG A 1 58  ? -24.700 -12.223 -38.646 1.00 40.65 ? 64  ARG B NH1 1 
ATOM   498  N NH2 . ARG A 1 58  ? -23.764 -14.224 -38.125 1.00 38.74 ? 64  ARG B NH2 1 
ATOM   499  N N   . PHE A 1 59  ? -19.093 -15.497 -32.438 1.00 14.73 ? 65  PHE B N   1 
ATOM   500  C CA  . PHE A 1 59  ? -17.925 -16.162 -31.784 1.00 14.08 ? 65  PHE B CA  1 
ATOM   501  C C   . PHE A 1 59  ? -17.956 -17.655 -32.067 1.00 13.31 ? 65  PHE B C   1 
ATOM   502  O O   . PHE A 1 59  ? -18.962 -18.287 -31.836 1.00 13.20 ? 65  PHE B O   1 
ATOM   503  C CB  . PHE A 1 59  ? -17.983 -15.895 -30.265 1.00 16.05 ? 65  PHE B CB  1 
ATOM   504  C CG  . PHE A 1 59  ? -17.954 -14.420 -29.907 1.00 18.10 ? 65  PHE B CG  1 
ATOM   505  C CD1 . PHE A 1 59  ? -16.928 -13.617 -30.373 1.00 20.34 ? 65  PHE B CD1 1 
ATOM   506  C CD2 . PHE A 1 59  ? -18.950 -13.838 -29.150 1.00 25.76 ? 65  PHE B CD2 1 
ATOM   507  C CE1 . PHE A 1 59  ? -16.875 -12.260 -30.080 1.00 23.20 ? 65  PHE B CE1 1 
ATOM   508  C CE2 . PHE A 1 59  ? -18.889 -12.483 -28.833 1.00 20.23 ? 65  PHE B CE2 1 
ATOM   509  C CZ  . PHE A 1 59  ? -17.880 -11.707 -29.331 1.00 21.34 ? 65  PHE B CZ  1 
ATOM   510  N N   A SER A 1 60  ? -16.843 -18.222 -32.555 0.25 13.45 ? 66  SER B N   1 
ATOM   511  N N   B SER A 1 60  ? -16.844 -18.223 -32.563 0.25 14.02 ? 66  SER B N   1 
ATOM   512  C CA  A SER A 1 60  ? -16.729 -19.669 -32.866 0.25 13.86 ? 66  SER B CA  1 
ATOM   513  C CA  B SER A 1 60  ? -16.699 -19.675 -32.854 0.25 14.87 ? 66  SER B CA  1 
ATOM   514  C C   A SER A 1 60  ? -15.499 -20.290 -32.182 0.25 14.15 ? 66  SER B C   1 
ATOM   515  C C   B SER A 1 60  ? -15.414 -20.237 -32.242 0.25 15.53 ? 66  SER B C   1 
ATOM   516  O O   A SER A 1 60  ? -15.335 -21.532 -32.290 0.25 13.81 ? 66  SER B O   1 
ATOM   517  O O   B SER A 1 60  ? -14.994 -21.332 -32.667 0.25 15.27 ? 66  SER B O   1 
ATOM   518  C CB  A SER A 1 60  ? -16.749 -19.882 -34.363 0.25 14.33 ? 66  SER B CB  1 
ATOM   519  C CB  B SER A 1 60  ? -16.682 -19.919 -34.325 0.25 15.37 ? 66  SER B CB  1 
ATOM   520  O OG  A SER A 1 60  ? -18.093 -19.740 -34.857 0.25 14.64 ? 66  SER B OG  1 
ATOM   521  O OG  B SER A 1 60  ? -15.697 -19.114 -34.923 0.25 16.15 ? 66  SER B OG  1 
ATOM   522  N N   A SER A 1 61  ? -14.716 -19.478 -31.455 0.25 14.14 ? 67  SER B N   1 
ATOM   523  N N   B SER A 1 61  ? -14.794 -19.506 -31.318 0.25 16.05 ? 67  SER B N   1 
ATOM   524  C CA  A SER A 1 61  ? -13.512 -19.918 -30.705 0.25 15.05 ? 67  SER B CA  1 
ATOM   525  C CA  B SER A 1 61  ? -13.519 -19.919 -30.692 0.25 17.33 ? 67  SER B CA  1 
ATOM   526  C C   A SER A 1 61  ? -13.224 -18.950 -29.553 0.25 15.83 ? 67  SER B C   1 
ATOM   527  C C   B SER A 1 61  ? -13.094 -18.884 -29.653 0.25 17.18 ? 67  SER B C   1 
ATOM   528  O O   A SER A 1 61  ? -13.894 -17.915 -29.472 0.25 16.13 ? 67  SER B O   1 
ATOM   529  O O   B SER A 1 61  ? -13.495 -17.708 -29.793 0.25 16.93 ? 67  SER B O   1 
ATOM   530  C CB  A SER A 1 61  ? -12.318 -20.025 -31.634 0.25 15.60 ? 67  SER B CB  1 
ATOM   531  C CB  B SER A 1 61  ? -12.465 -20.094 -31.759 0.25 19.10 ? 67  SER B CB  1 
ATOM   532  O OG  A SER A 1 61  ? -11.907 -18.743 -32.075 0.25 14.73 ? 67  SER B OG  1 
ATOM   533  O OG  B SER A 1 61  ? -11.227 -20.459 -31.176 0.25 21.07 ? 67  SER B OG  1 
ATOM   534  N N   . GLY A 1 62  ? -12.271 -19.296 -28.686 1.00 17.29 ? 68  GLY B N   1 
ATOM   535  C CA  . GLY A 1 62  ? -11.665 -18.325 -27.768 1.00 16.95 ? 68  GLY B CA  1 
ATOM   536  C C   . GLY A 1 62  ? -12.484 -18.052 -26.513 1.00 15.63 ? 68  GLY B C   1 
ATOM   537  O O   . GLY A 1 62  ? -13.508 -18.738 -26.248 1.00 15.85 ? 68  GLY B O   1 
ATOM   538  N N   . LYS A 1 63  ? -12.002 -17.062 -25.798 1.00 15.22 ? 69  LYS B N   1 
ATOM   539  C CA  . LYS A 1 63  ? -12.562 -16.619 -24.521 1.00 15.46 ? 69  LYS B CA  1 
ATOM   540  C C   . LYS A 1 63  ? -13.011 -15.180 -24.755 1.00 14.97 ? 69  LYS B C   1 
ATOM   541  O O   . LYS A 1 63  ? -12.241 -14.384 -25.284 1.00 16.38 ? 69  LYS B O   1 
ATOM   542  C CB  . LYS A 1 63  ? -11.526 -16.746 -23.409 1.00 16.39 ? 69  LYS B CB  1 
ATOM   543  C CG  . LYS A 1 63  ? -11.140 -18.173 -23.057 1.00 17.19 ? 69  LYS B CG  1 
ATOM   544  C CD  . LYS A 1 63  ? -9.993  -18.256 -22.039 1.00 20.21 ? 69  LYS B CD  1 
ATOM   545  C CE  . LYS A 1 63  ? -9.567  -19.685 -21.802 1.00 24.25 ? 69  LYS B CE  1 
ATOM   546  N NZ  . LYS A 1 63  ? -8.533  -19.749 -20.749 1.00 27.94 ? 69  LYS B NZ  1 
ATOM   547  N N   . MET A 1 64  ? -14.226 -14.855 -24.317 1.00 14.21 ? 70  MET B N   1 
ATOM   548  C CA  . MET A 1 64  ? -14.882 -13.548 -24.553 1.00 13.93 ? 70  MET B CA  1 
ATOM   549  C C   . MET A 1 64  ? -15.527 -13.080 -23.251 1.00 13.54 ? 70  MET B C   1 
ATOM   550  O O   . MET A 1 64  ? -16.078 -13.907 -22.536 1.00 14.36 ? 70  MET B O   1 
ATOM   551  C CB  . MET A 1 64  ? -16.002 -13.656 -25.581 1.00 14.59 ? 70  MET B CB  1 
ATOM   552  C CG  . MET A 1 64  ? -15.554 -13.757 -27.026 1.00 15.06 ? 70  MET B CG  1 
ATOM   553  S SD  . MET A 1 64  ? -14.773 -15.326 -27.535 1.00 17.65 ? 70  MET B SD  1 
ATOM   554  C CE  . MET A 1 64  ? -16.017 -16.541 -27.154 1.00 17.36 ? 70  MET B CE  1 
ATOM   555  N N   . TYR A 1 65  ? -15.461 -11.798 -22.961 1.00 13.32 ? 71  TYR B N   1 
ATOM   556  C CA  . TYR A 1 65  ? -16.068 -11.214 -21.731 1.00 13.85 ? 71  TYR B CA  1 
ATOM   557  C C   . TYR A 1 65  ? -16.681 -9.864  -22.085 1.00 14.17 ? 71  TYR B C   1 
ATOM   558  O O   . TYR A 1 65  ? -16.069 -9.065  -22.835 1.00 15.41 ? 71  TYR B O   1 
ATOM   559  C CB  . TYR A 1 65  ? -15.036 -11.011 -20.615 1.00 15.12 ? 71  TYR B CB  1 
ATOM   560  C CG  . TYR A 1 65  ? -15.550 -10.415 -19.334 1.00 14.82 ? 71  TYR B CG  1 
ATOM   561  C CD1 . TYR A 1 65  ? -16.297 -11.156 -18.442 1.00 15.30 ? 71  TYR B CD1 1 
ATOM   562  C CD2 . TYR A 1 65  ? -15.366 -9.064  -19.068 1.00 15.18 ? 71  TYR B CD2 1 
ATOM   563  C CE1 . TYR A 1 65  ? -16.805 -10.607 -17.269 1.00 15.14 ? 71  TYR B CE1 1 
ATOM   564  C CE2 . TYR A 1 65  ? -15.878 -8.492  -17.911 1.00 14.79 ? 71  TYR B CE2 1 
ATOM   565  C CZ  . TYR A 1 65  ? -16.588 -9.254  -17.017 1.00 15.65 ? 71  TYR B CZ  1 
ATOM   566  O OH  . TYR A 1 65  ? -17.067 -8.656  -15.880 1.00 17.77 ? 71  TYR B OH  1 
ATOM   567  N N   . TRP A 1 66  ? -17.889 -9.617  -21.597 1.00 12.84 ? 72  TRP B N   1 
ATOM   568  C CA  . TRP A 1 66  ? -18.485 -8.264  -21.714 1.00 13.40 ? 72  TRP B CA  1 
ATOM   569  C C   . TRP A 1 66  ? -19.389 -7.984  -20.502 1.00 14.23 ? 72  TRP B C   1 
ATOM   570  O O   . TRP A 1 66  ? -19.690 -8.908  -19.746 1.00 13.95 ? 72  TRP B O   1 
ATOM   571  C CB  . TRP A 1 66  ? -19.218 -8.059  -23.065 1.00 12.56 ? 72  TRP B CB  1 
ATOM   572  C CG  . TRP A 1 66  ? -20.397 -8.928  -23.323 1.00 12.43 ? 72  TRP B CG  1 
ATOM   573  C CD1 . TRP A 1 66  ? -21.727 -8.632  -23.106 1.00 12.69 ? 72  TRP B CD1 1 
ATOM   574  C CD2 . TRP A 1 66  ? -20.392 -10.245 -23.874 1.00 13.47 ? 72  TRP B CD2 1 
ATOM   575  N NE1 . TRP A 1 66  ? -22.515 -9.671  -23.528 1.00 12.73 ? 72  TRP B NE1 1 
ATOM   576  C CE2 . TRP A 1 66  ? -21.722 -10.705 -23.934 1.00 13.61 ? 72  TRP B CE2 1 
ATOM   577  C CE3 . TRP A 1 66  ? -19.373 -11.112 -24.291 1.00 15.54 ? 72  TRP B CE3 1 
ATOM   578  C CZ2 . TRP A 1 66  ? -22.070 -11.938 -24.459 1.00 15.00 ? 72  TRP B CZ2 1 
ATOM   579  C CZ3 . TRP A 1 66  ? -19.707 -12.349 -24.786 1.00 17.46 ? 72  TRP B CZ3 1 
ATOM   580  C CH2 . TRP A 1 66  ? -21.030 -12.780 -24.837 1.00 15.95 ? 72  TRP B CH2 1 
ATOM   581  N N   . GLU A 1 67  ? -19.812 -6.727  -20.347 1.00 13.62 ? 73  GLU B N   1 
ATOM   582  C CA  . GLU A 1 67  ? -20.615 -6.281  -19.175 1.00 13.59 ? 73  GLU B CA  1 
ATOM   583  C C   . GLU A 1 67  ? -21.848 -5.546  -19.673 1.00 12.78 ? 73  GLU B C   1 
ATOM   584  O O   . GLU A 1 67  ? -21.747 -4.823  -20.666 1.00 13.80 ? 73  GLU B O   1 
ATOM   585  C CB  . GLU A 1 67  ? -19.800 -5.424  -18.202 1.00 14.75 ? 73  GLU B CB  1 
ATOM   586  C CG  . GLU A 1 67  ? -18.703 -6.262  -17.539 1.00 17.02 ? 73  GLU B CG  1 
ATOM   587  C CD  . GLU A 1 67  ? -17.862 -5.519  -16.522 1.00 20.77 ? 73  GLU B CD  1 
ATOM   588  O OE1 . GLU A 1 67  ? -18.072 -4.262  -16.415 1.00 24.99 ? 73  GLU B OE1 1 
ATOM   589  O OE2 . GLU A 1 67  ? -17.021 -6.171  -15.804 1.00 19.65 ? 73  GLU B OE2 1 
ATOM   590  N N   . VAL A 1 68  ? -22.960 -5.744  -18.984 1.00 13.46 ? 74  VAL B N   1 
ATOM   591  C CA  . VAL A 1 68  ? -24.237 -5.080  -19.321 1.00 13.23 ? 74  VAL B CA  1 
ATOM   592  C C   . VAL A 1 68  ? -24.811 -4.396  -18.076 1.00 12.43 ? 74  VAL B C   1 
ATOM   593  O O   . VAL A 1 68  ? -24.872 -5.015  -17.004 1.00 13.07 ? 74  VAL B O   1 
ATOM   594  C CB  . VAL A 1 68  ? -25.244 -6.092  -19.859 1.00 12.89 ? 74  VAL B CB  1 
ATOM   595  C CG1 . VAL A 1 68  ? -26.488 -5.352  -20.308 1.00 13.87 ? 74  VAL B CG1 1 
ATOM   596  C CG2 . VAL A 1 68  ? -24.640 -6.974  -20.942 1.00 13.79 ? 74  VAL B CG2 1 
ATOM   597  N N   . ASP A 1 69  ? -25.261 -3.145  -18.231 1.00 12.57 ? 75  ASP B N   1 
ATOM   598  C CA  . ASP A 1 69  ? -25.900 -2.358  -17.147 1.00 14.56 ? 75  ASP B CA  1 
ATOM   599  C C   . ASP A 1 69  ? -27.392 -2.628  -17.190 1.00 12.29 ? 75  ASP B C   1 
ATOM   600  O O   . ASP A 1 69  ? -28.011 -2.534  -18.323 1.00 13.26 ? 75  ASP B O   1 
ATOM   601  C CB  . ASP A 1 69  ? -25.618 -0.863  -17.333 1.00 16.01 ? 75  ASP B CB  1 
ATOM   602  C CG  . ASP A 1 69  ? -25.981 -0.042  -16.106 1.00 17.38 ? 75  ASP B CG  1 
ATOM   603  O OD1 . ASP A 1 69  ? -27.115 -0.029  -15.725 1.00 17.65 ? 75  ASP B OD1 1 
ATOM   604  O OD2 . ASP A 1 69  ? -25.062 0.480   -15.467 1.00 23.00 ? 75  ASP B OD2 1 
ATOM   605  N N   . VAL A 1 70  ? -27.960 -3.030  -16.063 1.00 13.01 ? 76  VAL B N   1 
ATOM   606  C CA  . VAL A 1 70  ? -29.391 -3.379  -15.890 1.00 12.64 ? 76  VAL B CA  1 
ATOM   607  C C   . VAL A 1 70  ? -30.071 -2.487  -14.833 1.00 13.64 ? 76  VAL B C   1 
ATOM   608  O O   . VAL A 1 70  ? -31.153 -2.825  -14.366 1.00 13.08 ? 76  VAL B O   1 
ATOM   609  C CB  . VAL A 1 70  ? -29.531 -4.888  -15.575 1.00 13.61 ? 76  VAL B CB  1 
ATOM   610  C CG1 . VAL A 1 70  ? -28.961 -5.794  -16.683 1.00 13.56 ? 76  VAL B CG1 1 
ATOM   611  C CG2 . VAL A 1 70  ? -28.928 -5.264  -14.241 1.00 14.10 ? 76  VAL B CG2 1 
ATOM   612  N N   . THR A 1 71  ? -29.448 -1.365  -14.482 1.00 14.20 ? 77  THR B N   1 
ATOM   613  C CA  . THR A 1 71  ? -29.932 -0.452  -13.422 1.00 15.20 ? 77  THR B CA  1 
ATOM   614  C C   . THR A 1 71  ? -31.431 -0.151  -13.600 1.00 15.28 ? 77  THR B C   1 
ATOM   615  O O   . THR A 1 71  ? -31.868 0.230   -14.699 1.00 15.98 ? 77  THR B O   1 
ATOM   616  C CB  . THR A 1 71  ? -29.147 0.851   -13.452 1.00 16.54 ? 77  THR B CB  1 
ATOM   617  O OG1 . THR A 1 71  ? -27.761 0.605   -13.176 1.00 17.82 ? 77  THR B OG1 1 
ATOM   618  C CG2 . THR A 1 71  ? -29.728 1.800   -12.431 1.00 19.10 ? 77  THR B CG2 1 
ATOM   619  N N   . GLN A 1 72  ? -32.167 -0.342  -12.509 1.00 18.58 ? 78  GLN B N   1 
ATOM   620  C CA  . GLN A 1 72  ? -33.603 -0.012  -12.269 1.00 21.06 ? 78  GLN B CA  1 
ATOM   621  C C   . GLN A 1 72  ? -34.525 -0.779  -13.210 1.00 22.68 ? 78  GLN B C   1 
ATOM   622  O O   . GLN A 1 72  ? -35.731 -0.512  -13.207 1.00 25.09 ? 78  GLN B O   1 
ATOM   623  C CB  . GLN A 1 72  ? -33.861 1.498   -12.312 1.00 28.50 ? 78  GLN B CB  1 
ATOM   624  C CG  . GLN A 1 72  ? -33.643 2.142   -13.677 1.00 36.33 ? 78  GLN B CG  1 
ATOM   625  C CD  . GLN A 1 72  ? -34.653 3.210   -14.045 1.00 42.84 ? 78  GLN B CD  1 
ATOM   626  O OE1 . GLN A 1 72  ? -34.313 4.224   -14.666 1.00 50.40 ? 78  GLN B OE1 1 
ATOM   627  N NE2 . GLN A 1 72  ? -35.922 2.941   -13.750 1.00 44.30 ? 78  GLN B NE2 1 
ATOM   628  N N   . LYS A 1 73  ? -34.069 -1.820  -13.886 1.00 15.08 ? 79  LYS B N   1 
ATOM   629  C CA  . LYS A 1 73  ? -35.031 -2.668  -14.616 1.00 14.77 ? 79  LYS B CA  1 
ATOM   630  C C   . LYS A 1 73  ? -35.713 -3.721  -13.741 1.00 13.19 ? 79  LYS B C   1 
ATOM   631  O O   . LYS A 1 73  ? -35.096 -4.199  -12.731 1.00 15.20 ? 79  LYS B O   1 
ATOM   632  C CB  . LYS A 1 73  ? -34.293 -3.328  -15.773 1.00 14.88 ? 79  LYS B CB  1 
ATOM   633  C CG  . LYS A 1 73  ? -33.866 -2.343  -16.875 1.00 14.39 ? 79  LYS B CG  1 
ATOM   634  C CD  . LYS A 1 73  ? -33.359 -2.981  -18.149 1.00 15.06 ? 79  LYS B CD  1 
ATOM   635  C CE  . LYS A 1 73  ? -34.427 -3.739  -18.899 1.00 14.28 ? 79  LYS B CE  1 
ATOM   636  N NZ  . LYS A 1 73  ? -35.625 -2.901  -19.206 1.00 13.06 ? 79  LYS B NZ  1 
ATOM   637  N N   . GLU A 1 74  ? -36.961 -4.037  -14.051 1.00 12.30 ? 80  GLU B N   1 
ATOM   638  C CA  . GLU A 1 74  ? -37.772 -5.040  -13.332 1.00 12.58 ? 80  GLU B CA  1 
ATOM   639  C C   . GLU A 1 74  ? -37.697 -6.402  -14.025 1.00 12.07 ? 80  GLU B C   1 
ATOM   640  O O   . GLU A 1 74  ? -38.065 -7.412  -13.450 1.00 13.09 ? 80  GLU B O   1 
ATOM   641  C CB  . GLU A 1 74  ? -39.247 -4.598  -13.271 1.00 14.24 ? 80  GLU B CB  1 
ATOM   642  C CG  . GLU A 1 74  ? -39.495 -3.302  -12.497 1.00 14.78 ? 80  GLU B CG  1 
ATOM   643  C CD  . GLU A 1 74  ? -40.976 -2.897  -12.584 1.00 16.43 ? 80  GLU B CD  1 
ATOM   644  O OE1 . GLU A 1 74  ? -41.396 -2.044  -11.761 1.00 18.64 ? 80  GLU B OE1 1 
ATOM   645  O OE2 . GLU A 1 74  ? -41.711 -3.461  -13.474 1.00 18.15 ? 80  GLU B OE2 1 
ATOM   646  N N   . ALA A 1 75  ? -37.329 -6.425  -15.316 1.00 12.01 ? 81  ALA B N   1 
ATOM   647  C CA  . ALA A 1 75  ? -37.360 -7.684  -16.089 1.00 12.03 ? 81  ALA B CA  1 
ATOM   648  C C   . ALA A 1 75  ? -36.380 -7.574  -17.252 1.00 12.37 ? 81  ALA B C   1 
ATOM   649  O O   . ALA A 1 75  ? -36.319 -6.516  -17.900 1.00 11.97 ? 81  ALA B O   1 
ATOM   650  C CB  . ALA A 1 75  ? -38.747 -7.999  -16.636 1.00 12.79 ? 81  ALA B CB  1 
ATOM   651  N N   . TRP A 1 76  ? -35.648 -8.647  -17.509 1.00 11.07 ? 82  TRP B N   1 
ATOM   652  C CA  . TRP A 1 76  ? -34.682 -8.725  -18.649 1.00 11.31 ? 82  TRP B CA  1 
ATOM   653  C C   . TRP A 1 76  ? -34.170 -10.154 -18.758 1.00 11.39 ? 82  TRP B C   1 
ATOM   654  O O   . TRP A 1 76  ? -34.312 -10.897 -17.790 1.00 11.89 ? 82  TRP B O   1 
ATOM   655  C CB  . TRP A 1 76  ? -33.506 -7.769  -18.473 1.00 11.40 ? 82  TRP B CB  1 
ATOM   656  C CG  . TRP A 1 76  ? -32.825 -7.799  -17.133 1.00 11.78 ? 82  TRP B CG  1 
ATOM   657  C CD1 . TRP A 1 76  ? -33.032 -6.930  -16.123 1.00 12.45 ? 82  TRP B CD1 1 
ATOM   658  C CD2 . TRP A 1 76  ? -31.864 -8.740  -16.605 1.00 11.61 ? 82  TRP B CD2 1 
ATOM   659  N NE1 . TRP A 1 76  ? -32.268 -7.207  -15.028 1.00 12.81 ? 82  TRP B NE1 1 
ATOM   660  C CE2 . TRP A 1 76  ? -31.556 -8.354  -15.283 1.00 12.78 ? 82  TRP B CE2 1 
ATOM   661  C CE3 . TRP A 1 76  ? -31.262 -9.903  -17.113 1.00 12.66 ? 82  TRP B CE3 1 
ATOM   662  C CZ2 . TRP A 1 76  ? -30.614 -8.996  -14.486 1.00 12.46 ? 82  TRP B CZ2 1 
ATOM   663  C CZ3 . TRP A 1 76  ? -30.334 -10.554 -16.332 1.00 12.45 ? 82  TRP B CZ3 1 
ATOM   664  C CH2 . TRP A 1 76  ? -30.062 -10.139 -15.025 1.00 13.43 ? 82  TRP B CH2 1 
ATOM   665  N N   . ASP A 1 77  ? -33.653 -10.510 -19.935 1.00 10.95 ? 83  ASP B N   1 
ATOM   666  C CA  . ASP A 1 77  ? -32.915 -11.785 -20.148 1.00 11.31 ? 83  ASP B CA  1 
ATOM   667  C C   . ASP A 1 77  ? -31.535 -11.378 -20.709 1.00 11.52 ? 83  ASP B C   1 
ATOM   668  O O   . ASP A 1 77  ? -31.513 -10.476 -21.586 1.00 11.08 ? 83  ASP B O   1 
ATOM   669  C CB  . ASP A 1 77  ? -33.601 -12.743 -21.110 1.00 12.55 ? 83  ASP B CB  1 
ATOM   670  C CG  . ASP A 1 77  ? -35.093 -12.947 -20.940 1.00 15.41 ? 83  ASP B CG  1 
ATOM   671  O OD1 . ASP A 1 77  ? -35.514 -13.023 -19.823 1.00 19.88 ? 83  ASP B OD1 1 
ATOM   672  O OD2 . ASP A 1 77  ? -35.783 -13.060 -21.951 1.00 18.70 ? 83  ASP B OD2 1 
ATOM   673  N N   . LEU A 1 78  ? -30.435 -12.044 -20.345 1.00 9.94  ? 84  LEU B N   1 
ATOM   674  C CA  . LEU A 1 78  ? -29.085 -11.799 -20.902 1.00 10.28 ? 84  LEU B CA  1 
ATOM   675  C C   . LEU A 1 78  ? -28.373 -13.134 -21.087 1.00 10.27 ? 84  LEU B C   1 
ATOM   676  O O   . LEU A 1 78  ? -28.516 -14.026 -20.259 1.00 10.62 ? 84  LEU B O   1 
ATOM   677  C CB  . LEU A 1 78  ? -28.262 -10.922 -19.959 1.00 10.40 ? 84  LEU B CB  1 
ATOM   678  C CG  . LEU A 1 78  ? -28.659 -9.462  -19.829 1.00 11.99 ? 84  LEU B CG  1 
ATOM   679  C CD1 . LEU A 1 78  ? -27.828 -8.833  -18.719 1.00 13.47 ? 84  LEU B CD1 1 
ATOM   680  C CD2 . LEU A 1 78  ? -28.497 -8.772  -21.156 1.00 12.76 ? 84  LEU B CD2 1 
ATOM   681  N N   . GLY A 1 79  ? -27.544 -13.171 -22.116 1.00 10.08 ? 85  GLY B N   1 
ATOM   682  C CA  . GLY A 1 79  ? -26.562 -14.251 -22.245 1.00 10.42 ? 85  GLY B CA  1 
ATOM   683  C C   . GLY A 1 79  ? -26.048 -14.330 -23.659 1.00 9.49  ? 85  GLY B C   1 
ATOM   684  O O   . GLY A 1 79  ? -25.671 -13.322 -24.225 1.00 10.15 ? 85  GLY B O   1 
ATOM   685  N N   A VAL A 1 80  ? -25.968 -15.560 -24.177 0.25 9.82  ? 86  VAL B N   1 
ATOM   686  N N   B VAL A 1 80  ? -26.093 -15.524 -24.229 0.25 10.00 ? 86  VAL B N   1 
ATOM   687  C CA  A VAL A 1 80  ? -25.584 -15.861 -25.589 0.25 10.13 ? 86  VAL B CA  1 
ATOM   688  C CA  B VAL A 1 80  ? -25.523 -15.794 -25.574 0.25 10.42 ? 86  VAL B CA  1 
ATOM   689  C C   A VAL A 1 80  ? -26.601 -16.816 -26.194 0.25 10.39 ? 86  VAL B C   1 
ATOM   690  C C   B VAL A 1 80  ? -26.378 -16.909 -26.190 0.25 10.42 ? 86  VAL B C   1 
ATOM   691  O O   A VAL A 1 80  ? -27.360 -17.503 -25.473 0.25 10.45 ? 86  VAL B O   1 
ATOM   692  O O   B VAL A 1 80  ? -26.918 -17.739 -25.436 0.25 10.26 ? 86  VAL B O   1 
ATOM   693  C CB  A VAL A 1 80  ? -24.193 -16.502 -25.745 0.25 10.41 ? 86  VAL B CB  1 
ATOM   694  C CB  B VAL A 1 80  ? -24.027 -16.144 -25.423 0.25 11.22 ? 86  VAL B CB  1 
ATOM   695  C CG1 A VAL A 1 80  ? -23.110 -15.505 -25.408 0.25 10.23 ? 86  VAL B CG1 1 
ATOM   696  C CG1 B VAL A 1 80  ? -23.840 -17.490 -24.745 0.25 11.29 ? 86  VAL B CG1 1 
ATOM   697  C CG2 A VAL A 1 80  ? -24.047 -17.789 -24.951 0.25 10.36 ? 86  VAL B CG2 1 
ATOM   698  C CG2 B VAL A 1 80  ? -23.279 -16.094 -26.741 0.25 11.49 ? 86  VAL B CG2 1 
ATOM   699  N N   . CYS A 1 81  ? -26.569 -16.896 -27.513 1.00 10.24 ? 87  CYS B N   1 
ATOM   700  C CA  . CYS A 1 81  ? -27.370 -17.895 -28.211 1.00 11.58 ? 87  CYS B CA  1 
ATOM   701  C C   . CYS A 1 81  ? -26.696 -18.290 -29.512 1.00 11.02 ? 87  CYS B C   1 
ATOM   702  O O   . CYS A 1 81  ? -25.792 -17.573 -30.030 1.00 11.25 ? 87  CYS B O   1 
ATOM   703  C CB  . CYS A 1 81  ? -28.776 -17.375 -28.499 1.00 12.21 ? 87  CYS B CB  1 
ATOM   704  S SG  . CYS A 1 81  ? -28.860 -15.928 -29.608 1.00 13.28 ? 87  CYS B SG  1 
ATOM   705  N N   A ARG A 1 82  ? -27.128 -19.423 -30.040 0.25 11.77 ? 88  ARG B N   1 
ATOM   706  N N   B ARG A 1 82  ? -27.116 -19.426 -30.044 0.25 10.44 ? 88  ARG B N   1 
ATOM   707  C CA  A ARG A 1 82  ? -26.744 -19.844 -31.405 0.25 13.15 ? 88  ARG B CA  1 
ATOM   708  C CA  B ARG A 1 82  ? -26.670 -19.885 -31.381 0.25 10.84 ? 88  ARG B CA  1 
ATOM   709  C C   A ARG A 1 82  ? -27.138 -18.755 -32.399 0.25 12.17 ? 88  ARG B C   1 
ATOM   710  C C   B ARG A 1 82  ? -27.190 -18.905 -32.446 0.25 11.14 ? 88  ARG B C   1 
ATOM   711  O O   A ARG A 1 82  ? -28.167 -18.081 -32.214 0.25 11.68 ? 88  ARG B O   1 
ATOM   712  O O   B ARG A 1 82  ? -28.383 -18.469 -32.345 0.25 11.32 ? 88  ARG B O   1 
ATOM   713  C CB  A ARG A 1 82  ? -27.426 -21.159 -31.769 0.25 14.81 ? 88  ARG B CB  1 
ATOM   714  C CB  B ARG A 1 82  ? -27.156 -21.320 -31.602 0.25 10.35 ? 88  ARG B CB  1 
ATOM   715  C CG  A ARG A 1 82  ? -26.837 -22.342 -31.029 0.25 16.86 ? 88  ARG B CG  1 
ATOM   716  C CG  B ARG A 1 82  ? -26.500 -22.017 -32.784 0.25 10.19 ? 88  ARG B CG  1 
ATOM   717  C CD  A ARG A 1 82  ? -27.414 -23.665 -31.480 0.25 18.72 ? 88  ARG B CD  1 
ATOM   718  C CD  B ARG A 1 82  ? -27.058 -23.392 -33.047 0.25 9.76  ? 88  ARG B CD  1 
ATOM   719  N NE  A ARG A 1 82  ? -27.146 -24.681 -30.473 0.25 19.25 ? 88  ARG B NE  1 
ATOM   720  N NE  B ARG A 1 82  ? -26.903 -24.230 -31.875 0.25 9.60  ? 88  ARG B NE  1 
ATOM   721  C CZ  A ARG A 1 82  ? -28.023 -25.589 -30.087 0.25 20.60 ? 88  ARG B CZ  1 
ATOM   722  C CZ  B ARG A 1 82  ? -27.899 -24.841 -31.231 0.25 9.44  ? 88  ARG B CZ  1 
ATOM   723  N NH1 A ARG A 1 82  ? -29.236 -25.596 -30.609 0.25 21.25 ? 88  ARG B NH1 1 
ATOM   724  N NH1 B ARG A 1 82  ? -29.138 -24.754 -31.657 0.25 10.07 ? 88  ARG B NH1 1 
ATOM   725  N NH2 A ARG A 1 82  ? -27.687 -26.482 -29.175 0.25 22.85 ? 88  ARG B NH2 1 
ATOM   726  N NH2 B ARG A 1 82  ? -27.645 -25.510 -30.123 0.25 9.51  ? 88  ARG B NH2 1 
ATOM   727  N N   . ASP A 1 83  ? -26.365 -18.621 -33.465 1.00 12.33 ? 89  ASP B N   1 
ATOM   728  C CA  . ASP A 1 83  ? -26.752 -17.690 -34.557 1.00 13.41 ? 89  ASP B CA  1 
ATOM   729  C C   . ASP A 1 83  ? -28.074 -18.146 -35.158 1.00 15.06 ? 89  ASP B C   1 
ATOM   730  O O   . ASP A 1 83  ? -28.831 -17.268 -35.617 1.00 17.27 ? 89  ASP B O   1 
ATOM   731  C CB  . ASP A 1 83  ? -25.633 -17.630 -35.594 1.00 15.83 ? 89  ASP B CB  1 
ATOM   732  C CG  . ASP A 1 83  ? -25.269 -18.923 -36.295 1.00 16.61 ? 89  ASP B CG  1 
ATOM   733  O OD1 . ASP A 1 83  ? -25.698 -20.031 -35.893 1.00 18.39 ? 89  ASP B OD1 1 
ATOM   734  O OD2 . ASP A 1 83  ? -24.493 -18.795 -37.297 1.00 20.57 ? 89  ASP B OD2 1 
ATOM   735  N N   . SER A 1 84  ? -28.406 -19.440 -35.156 1.00 14.10 ? 90  SER B N   1 
ATOM   736  C CA  . SER A 1 84  ? -29.590 -19.962 -35.868 1.00 15.84 ? 90  SER B CA  1 
ATOM   737  C C   . SER A 1 84  ? -30.827 -20.149 -34.987 1.00 13.27 ? 90  SER B C   1 
ATOM   738  O O   . SER A 1 84  ? -31.722 -20.908 -35.359 1.00 15.40 ? 90  SER B O   1 
ATOM   739  C CB  . SER A 1 84  ? -29.223 -21.236 -36.566 1.00 17.06 ? 90  SER B CB  1 
ATOM   740  O OG  . SER A 1 84  ? -28.689 -22.184 -35.668 1.00 16.52 ? 90  SER B OG  1 
ATOM   741  N N   . VAL A 1 85  ? -30.861 -19.535 -33.795 1.00 12.89 ? 91  VAL B N   1 
ATOM   742  C CA  . VAL A 1 85  ? -32.096 -19.635 -32.974 1.00 14.19 ? 91  VAL B CA  1 
ATOM   743  C C   . VAL A 1 85  ? -33.315 -19.148 -33.775 1.00 13.04 ? 91  VAL B C   1 
ATOM   744  O O   . VAL A 1 85  ? -33.199 -18.223 -34.604 1.00 14.66 ? 91  VAL B O   1 
ATOM   745  C CB  . VAL A 1 85  ? -31.982 -18.915 -31.621 1.00 13.14 ? 91  VAL B CB  1 
ATOM   746  C CG1 . VAL A 1 85  ? -30.947 -19.622 -30.741 1.00 13.01 ? 91  VAL B CG1 1 
ATOM   747  C CG2 . VAL A 1 85  ? -31.723 -17.438 -31.739 1.00 12.93 ? 91  VAL B CG2 1 
ATOM   748  N N   . GLN A 1 86  ? -34.445 -19.767 -33.471 1.00 14.79 ? 92  GLN B N   1 
ATOM   749  C CA  . GLN A 1 86  ? -35.795 -19.360 -33.960 1.00 16.47 ? 92  GLN B CA  1 
ATOM   750  C C   . GLN A 1 86  ? -36.016 -17.878 -33.630 1.00 14.65 ? 92  GLN B C   1 
ATOM   751  O O   . GLN A 1 86  ? -35.728 -17.442 -32.512 1.00 15.27 ? 92  GLN B O   1 
ATOM   752  C CB  . GLN A 1 86  ? -36.824 -20.291 -33.290 1.00 19.23 ? 92  GLN B CB  1 
ATOM   753  C CG  . GLN A 1 86  ? -38.309 -19.981 -33.525 1.00 22.17 ? 92  GLN B CG  1 
ATOM   754  C CD  . GLN A 1 86  ? -39.201 -20.801 -32.597 1.00 23.76 ? 92  GLN B CD  1 
ATOM   755  O OE1 . GLN A 1 86  ? -38.768 -21.762 -31.926 1.00 26.98 ? 92  GLN B OE1 1 
ATOM   756  N NE2 . GLN A 1 86  ? -40.480 -20.418 -32.483 1.00 24.13 ? 92  GLN B NE2 1 
ATOM   757  N N   . ARG A 1 87  ? -36.605 -17.150 -34.558 1.00 13.82 ? 93  ARG B N   1 
ATOM   758  C CA  . ARG A 1 87  ? -36.884 -15.698 -34.412 1.00 13.42 ? 93  ARG B CA  1 
ATOM   759  C C   . ARG A 1 87  ? -38.396 -15.464 -34.259 1.00 14.05 ? 93  ARG B C   1 
ATOM   760  O O   . ARG A 1 87  ? -38.744 -14.455 -33.650 1.00 14.43 ? 93  ARG B O   1 
ATOM   761  C CB  . ARG A 1 87  ? -36.343 -14.894 -35.587 1.00 13.57 ? 93  ARG B CB  1 
ATOM   762  C CG  . ARG A 1 87  ? -34.860 -15.096 -35.885 1.00 13.04 ? 93  ARG B CG  1 
ATOM   763  C CD  . ARG A 1 87  ? -33.955 -14.852 -34.688 1.00 14.67 ? 93  ARG B CD  1 
ATOM   764  N NE  . ARG A 1 87  ? -32.583 -15.281 -35.034 1.00 16.06 ? 93  ARG B NE  1 
ATOM   765  C CZ  . ARG A 1 87  ? -31.692 -14.551 -35.692 1.00 16.01 ? 93  ARG B CZ  1 
ATOM   766  N NH1 . ARG A 1 87  ? -31.956 -13.309 -36.026 1.00 17.27 ? 93  ARG B NH1 1 
ATOM   767  N NH2 . ARG A 1 87  ? -30.522 -15.068 -36.006 1.00 17.82 ? 93  ARG B NH2 1 
ATOM   768  N N   . LYS A 1 88  ? -39.237 -16.288 -34.867 1.00 14.37 ? 94  LYS B N   1 
ATOM   769  C CA  . LYS A 1 88  ? -40.690 -16.030 -34.978 1.00 14.69 ? 94  LYS B CA  1 
ATOM   770  C C   . LYS A 1 88  ? -41.463 -16.936 -34.049 1.00 16.30 ? 94  LYS B C   1 
ATOM   771  O O   . LYS A 1 88  ? -41.101 -18.115 -33.918 1.00 18.34 ? 94  LYS B O   1 
ATOM   772  C CB  . LYS A 1 88  ? -41.129 -16.237 -36.424 1.00 15.22 ? 94  LYS B CB  1 
ATOM   773  C CG  . LYS A 1 88  ? -40.395 -15.447 -37.469 1.00 16.48 ? 94  LYS B CG  1 
ATOM   774  C CD  . LYS A 1 88  ? -40.285 -13.946 -37.188 1.00 16.97 ? 94  LYS B CD  1 
ATOM   775  C CE  . LYS A 1 88  ? -39.589 -13.252 -38.318 1.00 17.48 ? 94  LYS B CE  1 
ATOM   776  N NZ  . LYS A 1 88  ? -39.506 -11.785 -38.124 1.00 18.93 ? 94  LYS B NZ  1 
ATOM   777  N N   . GLY A 1 89  ? -42.550 -16.436 -33.492 1.00 16.84 ? 95  GLY B N   1 
ATOM   778  C CA  . GLY A 1 89  ? -43.437 -17.233 -32.635 1.00 17.22 ? 95  GLY B CA  1 
ATOM   779  C C   . GLY A 1 89  ? -42.954 -17.397 -31.211 1.00 19.24 ? 95  GLY B C   1 
ATOM   780  O O   . GLY A 1 89  ? -41.972 -16.676 -30.811 1.00 18.92 ? 95  GLY B O   1 
ATOM   781  N N   . GLN A 1 90  ? -43.585 -18.323 -30.486 1.00 19.19 ? 96  GLN B N   1 
ATOM   782  C CA  . GLN A 1 90  ? -43.333 -18.540 -29.048 1.00 21.13 ? 96  GLN B CA  1 
ATOM   783  C C   . GLN A 1 90  ? -42.249 -19.598 -28.885 1.00 20.24 ? 96  GLN B C   1 
ATOM   784  O O   . GLN A 1 90  ? -42.185 -20.521 -29.705 1.00 21.27 ? 96  GLN B O   1 
ATOM   785  C CB  . GLN A 1 90  ? -44.633 -18.924 -28.336 1.00 24.27 ? 96  GLN B CB  1 
ATOM   786  C CG  . GLN A 1 90  ? -45.591 -17.747 -28.294 1.00 32.81 ? 96  GLN B CG  1 
ATOM   787  C CD  . GLN A 1 90  ? -46.997 -18.178 -27.984 1.00 42.01 ? 96  GLN B CD  1 
ATOM   788  O OE1 . GLN A 1 90  ? -47.426 -18.121 -26.834 1.00 50.77 ? 96  GLN B OE1 1 
ATOM   789  N NE2 . GLN A 1 90  ? -47.709 -18.613 -29.018 1.00 46.23 ? 96  GLN B NE2 1 
ATOM   790  N N   . PHE A 1 91  ? -41.358 -19.404 -27.911 1.00 17.42 ? 97  PHE B N   1 
ATOM   791  C CA  . PHE A 1 91  ? -40.303 -20.383 -27.564 1.00 17.39 ? 97  PHE B CA  1 
ATOM   792  C C   . PHE A 1 91  ? -39.793 -20.094 -26.154 1.00 16.83 ? 97  PHE B C   1 
ATOM   793  O O   . PHE A 1 91  ? -39.929 -18.986 -25.647 1.00 18.41 ? 97  PHE B O   1 
ATOM   794  C CB  . PHE A 1 91  ? -39.133 -20.336 -28.558 1.00 16.88 ? 97  PHE B CB  1 
ATOM   795  C CG  . PHE A 1 91  ? -38.516 -18.970 -28.718 1.00 15.92 ? 97  PHE B CG  1 
ATOM   796  C CD1 . PHE A 1 91  ? -37.524 -18.533 -27.851 1.00 17.70 ? 97  PHE B CD1 1 
ATOM   797  C CD2 . PHE A 1 91  ? -38.895 -18.128 -29.751 1.00 16.79 ? 97  PHE B CD2 1 
ATOM   798  C CE1 . PHE A 1 91  ? -36.928 -17.298 -28.025 1.00 16.46 ? 97  PHE B CE1 1 
ATOM   799  C CE2 . PHE A 1 91  ? -38.290 -16.890 -29.917 1.00 16.33 ? 97  PHE B CE2 1 
ATOM   800  C CZ  . PHE A 1 91  ? -37.290 -16.498 -29.067 1.00 16.71 ? 97  PHE B CZ  1 
ATOM   801  N N   A SER A 1 92  ? -39.241 -21.116 -25.504 0.25 18.01 ? 98  SER B N   1 
ATOM   802  N N   B SER A 1 92  ? -39.179 -21.119 -25.554 0.25 17.00 ? 98  SER B N   1 
ATOM   803  C CA  A SER A 1 92  ? -38.569 -20.977 -24.189 0.25 17.99 ? 98  SER B CA  1 
ATOM   804  C CA  B SER A 1 92  ? -38.551 -21.092 -24.208 0.25 16.27 ? 98  SER B CA  1 
ATOM   805  C C   A SER A 1 92  ? -37.073 -20.761 -24.414 0.25 16.79 ? 98  SER B C   1 
ATOM   806  C C   B SER A 1 92  ? -37.036 -20.891 -24.336 0.25 15.13 ? 98  SER B C   1 
ATOM   807  O O   A SER A 1 92  ? -36.513 -21.232 -25.473 0.25 17.75 ? 98  SER B O   1 
ATOM   808  O O   B SER A 1 92  ? -36.405 -21.559 -25.209 0.25 12.62 ? 98  SER B O   1 
ATOM   809  C CB  A SER A 1 92  ? -38.776 -22.163 -23.304 0.25 20.21 ? 98  SER B CB  1 
ATOM   810  C CB  B SER A 1 92  ? -38.820 -22.364 -23.455 0.25 17.67 ? 98  SER B CB  1 
ATOM   811  O OG  A SER A 1 92  ? -38.836 -23.343 -24.079 0.25 22.85 ? 98  SER B OG  1 
ATOM   812  O OG  B SER A 1 92  ? -40.187 -22.436 -23.062 0.25 18.47 ? 98  SER B OG  1 
ATOM   813  N N   . LEU A 1 93  ? -36.467 -20.049 -23.463 1.00 14.89 ? 99  LEU B N   1 
ATOM   814  C CA  . LEU A 1 93  ? -35.007 -19.871 -23.419 1.00 14.92 ? 99  LEU B CA  1 
ATOM   815  C C   . LEU A 1 93  ? -34.417 -21.089 -22.709 1.00 14.72 ? 99  LEU B C   1 
ATOM   816  O O   . LEU A 1 93  ? -34.539 -21.238 -21.505 1.00 16.52 ? 99  LEU B O   1 
ATOM   817  C CB  . LEU A 1 93  ? -34.633 -18.557 -22.734 1.00 15.77 ? 99  LEU B CB  1 
ATOM   818  C CG  . LEU A 1 93  ? -35.149 -17.277 -23.380 1.00 18.12 ? 99  LEU B CG  1 
ATOM   819  C CD1 . LEU A 1 93  ? -34.800 -16.056 -22.540 1.00 19.07 ? 99  LEU B CD1 1 
ATOM   820  C CD2 . LEU A 1 93  ? -34.656 -17.084 -24.799 1.00 18.45 ? 99  LEU B CD2 1 
ATOM   821  N N   . SER A 1 94  ? -33.751 -21.988 -23.439 1.00 14.96 ? 100 SER B N   1 
ATOM   822  C CA  . SER A 1 94  ? -33.173 -23.236 -22.912 1.00 14.48 ? 100 SER B CA  1 
ATOM   823  C C   . SER A 1 94  ? -31.993 -23.605 -23.785 1.00 12.94 ? 100 SER B C   1 
ATOM   824  O O   . SER A 1 94  ? -31.968 -23.250 -24.968 1.00 12.88 ? 100 SER B O   1 
ATOM   825  C CB  . SER A 1 94  ? -34.123 -24.418 -22.892 1.00 16.31 ? 100 SER B CB  1 
ATOM   826  O OG  . SER A 1 94  ? -34.517 -24.721 -24.218 1.00 19.98 ? 100 SER B OG  1 
ATOM   827  N N   . PRO A 1 95  ? -31.039 -24.366 -23.267 1.00 13.22 ? 101 PRO B N   1 
ATOM   828  C CA  . PRO A 1 95  ? -29.958 -24.851 -24.116 1.00 14.09 ? 101 PRO B CA  1 
ATOM   829  C C   . PRO A 1 95  ? -30.461 -25.739 -25.259 1.00 13.23 ? 101 PRO B C   1 
ATOM   830  O O   . PRO A 1 95  ? -29.887 -25.648 -26.385 1.00 14.24 ? 101 PRO B O   1 
ATOM   831  C CB  . PRO A 1 95  ? -29.038 -25.575 -23.123 1.00 14.66 ? 101 PRO B CB  1 
ATOM   832  C CG  . PRO A 1 95  ? -29.298 -24.875 -21.789 1.00 14.76 ? 101 PRO B CG  1 
ATOM   833  C CD  . PRO A 1 95  ? -30.778 -24.596 -21.836 1.00 13.96 ? 101 PRO B CD  1 
ATOM   834  N N   . GLU A 1 96  ? -31.559 -26.478 -25.048 1.00 14.76 ? 102 GLU B N   1 
ATOM   835  C CA  . GLU A 1 96  ? -32.160 -27.308 -26.138 1.00 18.90 ? 102 GLU B CA  1 
ATOM   836  C C   . GLU A 1 96  ? -32.571 -26.423 -27.312 1.00 17.00 ? 102 GLU B C   1 
ATOM   837  O O   . GLU A 1 96  ? -32.484 -26.859 -28.490 1.00 18.11 ? 102 GLU B O   1 
ATOM   838  C CB  . GLU A 1 96  ? -33.330 -28.146 -25.621 1.00 22.19 ? 102 GLU B CB  1 
ATOM   839  C CG  . GLU A 1 96  ? -32.934 -28.951 -24.403 1.00 32.85 ? 102 GLU B CG  1 
ATOM   840  C CD  . GLU A 1 96  ? -33.349 -28.356 -23.057 1.00 38.54 ? 102 GLU B CD  1 
ATOM   841  O OE1 . GLU A 1 96  ? -32.519 -27.598 -22.400 1.00 26.12 ? 102 GLU B OE1 1 
ATOM   842  O OE2 . GLU A 1 96  ? -34.495 -28.719 -22.619 1.00 46.50 ? 102 GLU B OE2 1 
ATOM   843  N N   . ASN A 1 97  ? -33.016 -25.182 -27.069 1.00 15.11 ? 103 ASN B N   1 
ATOM   844  C CA  . ASN A 1 97  ? -33.401 -24.238 -28.141 1.00 14.85 ? 103 ASN B CA  1 
ATOM   845  C C   . ASN A 1 97  ? -32.250 -23.303 -28.528 1.00 14.15 ? 103 ASN B C   1 
ATOM   846  O O   . ASN A 1 97  ? -32.463 -22.445 -29.397 1.00 15.74 ? 103 ASN B O   1 
ATOM   847  C CB  . ASN A 1 97  ? -34.612 -23.393 -27.720 1.00 15.67 ? 103 ASN B CB  1 
ATOM   848  C CG  . ASN A 1 97  ? -35.884 -24.195 -27.648 1.00 18.49 ? 103 ASN B CG  1 
ATOM   849  O OD1 . ASN A 1 97  ? -35.991 -25.258 -28.294 1.00 20.21 ? 103 ASN B OD1 1 
ATOM   850  N ND2 . ASN A 1 97  ? -36.849 -23.724 -26.862 1.00 20.41 ? 103 ASN B ND2 1 
ATOM   851  N N   . GLY A 1 98  ? -31.021 -23.515 -28.046 1.00 12.85 ? 104 GLY B N   1 
ATOM   852  C CA  . GLY A 1 98  ? -29.863 -22.710 -28.453 1.00 12.25 ? 104 GLY B CA  1 
ATOM   853  C C   . GLY A 1 98  ? -29.606 -21.457 -27.644 1.00 11.65 ? 104 GLY B C   1 
ATOM   854  O O   . GLY A 1 98  ? -28.920 -20.574 -28.151 1.00 11.47 ? 104 GLY B O   1 
ATOM   855  N N   . PHE A 1 99  ? -30.042 -21.407 -26.375 1.00 12.64 ? 105 PHE B N   1 
ATOM   856  C CA  . PHE A 1 99  ? -29.852 -20.198 -25.519 1.00 11.56 ? 105 PHE B CA  1 
ATOM   857  C C   . PHE A 1 99  ? -29.172 -20.558 -24.191 1.00 10.57 ? 105 PHE B C   1 
ATOM   858  O O   . PHE A 1 99  ? -29.572 -21.574 -23.573 1.00 11.99 ? 105 PHE B O   1 
ATOM   859  C CB  . PHE A 1 99  ? -31.196 -19.535 -25.158 1.00 11.50 ? 105 PHE B CB  1 
ATOM   860  C CG  . PHE A 1 99  ? -31.985 -19.047 -26.343 1.00 10.89 ? 105 PHE B CG  1 
ATOM   861  C CD1 . PHE A 1 99  ? -32.894 -19.867 -26.975 1.00 11.56 ? 105 PHE B CD1 1 
ATOM   862  C CD2 . PHE A 1 99  ? -31.849 -17.741 -26.775 1.00 11.26 ? 105 PHE B CD2 1 
ATOM   863  C CE1 . PHE A 1 99  ? -33.625 -19.402 -28.058 1.00 12.59 ? 105 PHE B CE1 1 
ATOM   864  C CE2 . PHE A 1 99  ? -32.565 -17.288 -27.869 1.00 13.05 ? 105 PHE B CE2 1 
ATOM   865  C CZ  . PHE A 1 99  ? -33.468 -18.116 -28.475 1.00 11.92 ? 105 PHE B CZ  1 
ATOM   866  N N   . TRP A 1 100 ? -28.204 -19.747 -23.778 1.00 9.72  ? 106 TRP B N   1 
ATOM   867  C CA  . TRP A 1 100 ? -27.504 -19.846 -22.465 1.00 9.69  ? 106 TRP B CA  1 
ATOM   868  C C   . TRP A 1 100 ? -27.660 -18.497 -21.775 1.00 9.16  ? 106 TRP B C   1 
ATOM   869  O O   . TRP A 1 100 ? -26.917 -17.542 -22.073 1.00 9.93  ? 106 TRP B O   1 
ATOM   870  C CB  . TRP A 1 100 ? -26.042 -20.291 -22.655 1.00 9.58  ? 106 TRP B CB  1 
ATOM   871  C CG  . TRP A 1 100 ? -25.971 -21.677 -23.237 1.00 9.79  ? 106 TRP B CG  1 
ATOM   872  C CD1 . TRP A 1 100 ? -25.894 -22.873 -22.586 1.00 11.98 ? 106 TRP B CD1 1 
ATOM   873  C CD2 . TRP A 1 100 ? -26.005 -21.998 -24.652 1.00 10.38 ? 106 TRP B CD2 1 
ATOM   874  N NE1 . TRP A 1 100 ? -25.899 -23.913 -23.495 1.00 12.06 ? 106 TRP B NE1 1 
ATOM   875  C CE2 . TRP A 1 100 ? -25.982 -23.400 -24.750 1.00 11.44 ? 106 TRP B CE2 1 
ATOM   876  C CE3 . TRP A 1 100 ? -26.082 -21.231 -25.824 1.00 10.78 ? 106 TRP B CE3 1 
ATOM   877  C CZ2 . TRP A 1 100 ? -26.024 -24.051 -25.986 1.00 12.85 ? 106 TRP B CZ2 1 
ATOM   878  C CZ3 . TRP A 1 100 ? -26.103 -21.890 -27.043 1.00 12.66 ? 106 TRP B CZ3 1 
ATOM   879  C CH2 . TRP A 1 100 ? -26.094 -23.276 -27.110 1.00 12.25 ? 106 TRP B CH2 1 
ATOM   880  N N   . THR A 1 101 ? -28.683 -18.408 -20.892 1.00 10.14 ? 107 THR B N   1 
ATOM   881  C CA  . THR A 1 101 ? -29.177 -17.098 -20.403 1.00 10.03 ? 107 THR B CA  1 
ATOM   882  C C   . THR A 1 101 ? -29.505 -17.181 -18.901 1.00 10.03 ? 107 THR B C   1 
ATOM   883  O O   . THR A 1 101 ? -29.743 -18.257 -18.378 1.00 10.45 ? 107 THR B O   1 
ATOM   884  C CB  . THR A 1 101 ? -30.427 -16.661 -21.150 1.00 10.79 ? 107 THR B CB  1 
ATOM   885  O OG1 . THR A 1 101 ? -31.478 -17.589 -20.952 1.00 11.84 ? 107 THR B OG1 1 
ATOM   886  C CG2 . THR A 1 101 ? -30.163 -16.492 -22.631 1.00 11.40 ? 107 THR B CG2 1 
ATOM   887  N N   . ILE A 1 102 ? -29.555 -16.007 -18.299 1.00 10.23 ? 108 ILE B N   1 
ATOM   888  C CA  . ILE A 1 102 ? -30.185 -15.796 -16.963 1.00 9.72  ? 108 ILE B CA  1 
ATOM   889  C C   . ILE A 1 102 ? -31.202 -14.663 -17.152 1.00 10.23 ? 108 ILE B C   1 
ATOM   890  O O   . ILE A 1 102 ? -31.149 -13.905 -18.165 1.00 10.96 ? 108 ILE B O   1 
ATOM   891  C CB  . ILE A 1 102 ? -29.154 -15.484 -15.846 1.00 11.15 ? 108 ILE B CB  1 
ATOM   892  C CG1 . ILE A 1 102 ? -28.483 -14.127 -16.029 1.00 11.78 ? 108 ILE B CG1 1 
ATOM   893  C CG2 . ILE A 1 102 ? -28.143 -16.626 -15.743 1.00 12.23 ? 108 ILE B CG2 1 
ATOM   894  C CD1 . ILE A 1 102 ? -27.646 -13.664 -14.847 1.00 12.32 ? 108 ILE B CD1 1 
ATOM   895  N N   . TRP A 1 103 ? -32.053 -14.523 -16.149 1.00 10.66 ? 109 TRP B N   1 
ATOM   896  C CA  . TRP A 1 103 ? -33.066 -13.462 -16.200 1.00 11.05 ? 109 TRP B CA  1 
ATOM   897  C C   . TRP A 1 103 ? -33.507 -13.015 -14.834 1.00 11.41 ? 109 TRP B C   1 
ATOM   898  O O   . TRP A 1 103 ? -33.305 -13.670 -13.812 1.00 11.85 ? 109 TRP B O   1 
ATOM   899  C CB  . TRP A 1 103 ? -34.245 -13.866 -17.020 1.00 14.08 ? 109 TRP B CB  1 
ATOM   900  C CG  . TRP A 1 103 ? -35.036 -14.996 -16.500 1.00 17.00 ? 109 TRP B CG  1 
ATOM   901  C CD1 . TRP A 1 103 ? -35.907 -14.975 -15.448 1.00 17.55 ? 109 TRP B CD1 1 
ATOM   902  C CD2 . TRP A 1 103 ? -35.157 -16.278 -17.133 1.00 18.36 ? 109 TRP B CD2 1 
ATOM   903  N NE1 . TRP A 1 103 ? -36.578 -16.160 -15.386 1.00 21.64 ? 109 TRP B NE1 1 
ATOM   904  C CE2 . TRP A 1 103 ? -36.143 -16.977 -16.392 1.00 19.33 ? 109 TRP B CE2 1 
ATOM   905  C CE3 . TRP A 1 103 ? -34.593 -16.863 -18.274 1.00 20.36 ? 109 TRP B CE3 1 
ATOM   906  C CZ2 . TRP A 1 103 ? -36.529 -18.275 -16.715 1.00 21.83 ? 109 TRP B CZ2 1 
ATOM   907  C CZ3 . TRP A 1 103 ? -35.002 -18.134 -18.603 1.00 21.74 ? 109 TRP B CZ3 1 
ATOM   908  C CH2 . TRP A 1 103 ? -35.960 -18.806 -17.853 1.00 21.99 ? 109 TRP B CH2 1 
ATOM   909  N N   . LEU A 1 104 ? -34.104 -11.802 -14.855 1.00 12.22 ? 110 LEU B N   1 
ATOM   910  C CA  . LEU A 1 104 ? -34.861 -11.230 -13.729 1.00 11.82 ? 110 LEU B CA  1 
ATOM   911  C C   . LEU A 1 104 ? -36.335 -11.184 -14.111 1.00 11.60 ? 110 LEU B C   1 
ATOM   912  O O   . LEU A 1 104 ? -36.639 -10.725 -15.196 1.00 11.76 ? 110 LEU B O   1 
ATOM   913  C CB  . LEU A 1 104 ? -34.392 -9.820  -13.433 1.00 12.22 ? 110 LEU B CB  1 
ATOM   914  C CG  . LEU A 1 104 ? -35.195 -9.032  -12.390 1.00 12.17 ? 110 LEU B CG  1 
ATOM   915  C CD1 . LEU A 1 104 ? -35.246 -9.704  -11.021 1.00 12.70 ? 110 LEU B CD1 1 
ATOM   916  C CD2 . LEU A 1 104 ? -34.698 -7.602  -12.322 1.00 13.79 ? 110 LEU B CD2 1 
ATOM   917  N N   . TRP A 1 105 ? -37.215 -11.615 -13.207 1.00 12.87 ? 111 TRP B N   1 
ATOM   918  C CA  . TRP A 1 105 ? -38.665 -11.620 -13.430 1.00 14.95 ? 111 TRP B CA  1 
ATOM   919  C C   . TRP A 1 105 ? -39.345 -11.649 -12.071 1.00 15.22 ? 111 TRP B C   1 
ATOM   920  O O   . TRP A 1 105 ? -39.057 -12.571 -11.284 1.00 16.09 ? 111 TRP B O   1 
ATOM   921  C CB  . TRP A 1 105 ? -38.997 -12.853 -14.255 1.00 19.00 ? 111 TRP B CB  1 
ATOM   922  C CG  . TRP A 1 105 ? -40.444 -13.122 -14.355 1.00 24.18 ? 111 TRP B CG  1 
ATOM   923  C CD1 . TRP A 1 105 ? -41.187 -14.138 -13.810 1.00 24.05 ? 111 TRP B CD1 1 
ATOM   924  C CD2 . TRP A 1 105 ? -41.306 -12.335 -15.149 1.00 25.43 ? 111 TRP B CD2 1 
ATOM   925  N NE1 . TRP A 1 105 ? -42.478 -14.009 -14.207 1.00 25.23 ? 111 TRP B NE1 1 
ATOM   926  C CE2 . TRP A 1 105 ? -42.584 -12.908 -15.016 1.00 22.49 ? 111 TRP B CE2 1 
ATOM   927  C CE3 . TRP A 1 105 ? -41.119 -11.195 -15.932 1.00 24.56 ? 111 TRP B CE3 1 
ATOM   928  C CZ2 . TRP A 1 105 ? -43.680 -12.383 -15.672 1.00 29.59 ? 111 TRP B CZ2 1 
ATOM   929  C CZ3 . TRP A 1 105 ? -42.217 -10.654 -16.545 1.00 30.29 ? 111 TRP B CZ3 1 
ATOM   930  C CH2 . TRP A 1 105 ? -43.477 -11.237 -16.409 1.00 31.17 ? 111 TRP B CH2 1 
ATOM   931  N N   . GLN A 1 106 ? -40.226 -10.666 -11.814 1.00 14.87 ? 112 GLN B N   1 
ATOM   932  C CA  . GLN A 1 106 ? -41.038 -10.684 -10.566 1.00 15.14 ? 112 GLN B CA  1 
ATOM   933  C C   . GLN A 1 106 ? -40.144 -10.868 -9.360  1.00 16.04 ? 112 GLN B C   1 
ATOM   934  O O   . GLN A 1 106 ? -40.487 -11.716 -8.455  1.00 17.56 ? 112 GLN B O   1 
ATOM   935  C CB  . GLN A 1 106 ? -42.152 -11.723 -10.702 1.00 16.93 ? 112 GLN B CB  1 
ATOM   936  C CG  . GLN A 1 106 ? -43.102 -11.417 -11.851 1.00 18.07 ? 112 GLN B CG  1 
ATOM   937  C CD  . GLN A 1 106 ? -44.376 -12.220 -11.866 1.00 19.18 ? 112 GLN B CD  1 
ATOM   938  O OE1 . GLN A 1 106 ? -45.358 -11.841 -12.539 1.00 23.35 ? 112 GLN B OE1 1 
ATOM   939  N NE2 . GLN A 1 106 ? -44.408 -13.276 -11.077 1.00 17.69 ? 112 GLN B NE2 1 
ATOM   940  N N   . ASP A 1 107 ? -39.104 -10.057 -9.263  1.00 17.23 ? 113 ASP B N   1 
ATOM   941  C CA  . ASP A 1 107 ? -38.257 -9.957  -8.054  1.00 21.31 ? 113 ASP B CA  1 
ATOM   942  C C   . ASP A 1 107 ? -37.443 -11.237 -7.801  1.00 22.16 ? 113 ASP B C   1 
ATOM   943  O O   . ASP A 1 107 ? -36.817 -11.314 -6.708  1.00 27.99 ? 113 ASP B O   1 
ATOM   944  C CB  . ASP A 1 107 ? -39.168 -9.716  -6.845  1.00 26.00 ? 113 ASP B CB  1 
ATOM   945  C CG  . ASP A 1 107 ? -38.517 -8.951  -5.733  1.00 35.73 ? 113 ASP B CG  1 
ATOM   946  O OD1 . ASP A 1 107 ? -37.626 -8.116  -6.024  1.00 40.15 ? 113 ASP B OD1 1 
ATOM   947  O OD2 . ASP A 1 107 ? -38.927 -9.198  -4.576  1.00 51.42 ? 113 ASP B OD2 1 
ATOM   948  N N   . SER A 1 108 ? -37.372 -12.177 -8.737  1.00 17.46 ? 114 SER B N   1 
ATOM   949  C CA  . SER A 1 108 ? -36.464 -13.345 -8.576  1.00 19.17 ? 114 SER B CA  1 
ATOM   950  C C   . SER A 1 108 ? -35.585 -13.529 -9.818  1.00 15.96 ? 114 SER B C   1 
ATOM   951  O O   . SER A 1 108 ? -35.958 -13.145 -10.973 1.00 15.47 ? 114 SER B O   1 
ATOM   952  C CB  . SER A 1 108 ? -37.223 -14.547 -8.110  1.00 23.44 ? 114 SER B CB  1 
ATOM   953  O OG  . SER A 1 108 ? -37.955 -15.128 -9.141  1.00 30.28 ? 114 SER B OG  1 
ATOM   954  N N   . TYR A 1 109 ? -34.392 -14.024 -9.584  1.00 13.68 ? 115 TYR B N   1 
ATOM   955  C CA  . TYR A 1 109 ? -33.394 -14.291 -10.651 1.00 12.46 ? 115 TYR B CA  1 
ATOM   956  C C   . TYR A 1 109 ? -33.344 -15.792 -10.915 1.00 12.10 ? 115 TYR B C   1 
ATOM   957  O O   . TYR A 1 109 ? -33.339 -16.596 -9.961  1.00 13.28 ? 115 TYR B O   1 
ATOM   958  C CB  . TYR A 1 109 ? -32.040 -13.761 -10.230 1.00 11.94 ? 115 TYR B CB  1 
ATOM   959  C CG  . TYR A 1 109 ? -31.979 -12.262 -10.006 1.00 12.48 ? 115 TYR B CG  1 
ATOM   960  C CD1 . TYR A 1 109 ? -32.232 -11.719 -8.765  1.00 12.80 ? 115 TYR B CD1 1 
ATOM   961  C CD2 . TYR A 1 109 ? -31.572 -11.405 -11.018 1.00 12.09 ? 115 TYR B CD2 1 
ATOM   962  C CE1 . TYR A 1 109 ? -32.132 -10.353 -8.550  1.00 13.10 ? 115 TYR B CE1 1 
ATOM   963  C CE2 . TYR A 1 109 ? -31.500 -10.030 -10.821 1.00 13.00 ? 115 TYR B CE2 1 
ATOM   964  C CZ  . TYR A 1 109 ? -31.779 -9.509  -9.573  1.00 13.97 ? 115 TYR B CZ  1 
ATOM   965  O OH  . TYR A 1 109 ? -31.758 -8.154  -9.313  1.00 14.83 ? 115 TYR B OH  1 
ATOM   966  N N   A GLU A 1 110 ? -33.315 -16.194 -12.189 0.25 12.73 ? 116 GLU B N   1 
ATOM   967  N N   B GLU A 1 110 ? -33.359 -16.180 -12.198 0.25 12.36 ? 116 GLU B N   1 
ATOM   968  C CA  A GLU A 1 110 ? -33.287 -17.637 -12.554 0.25 13.25 ? 116 GLU B CA  1 
ATOM   969  C CA  B GLU A 1 110 ? -33.358 -17.605 -12.640 0.25 12.67 ? 116 GLU B CA  1 
ATOM   970  C C   A GLU A 1 110 ? -32.396 -17.870 -13.772 0.25 12.24 ? 116 GLU B C   1 
ATOM   971  C C   B GLU A 1 110 ? -32.276 -17.805 -13.714 0.25 11.75 ? 116 GLU B C   1 
ATOM   972  O O   A GLU A 1 110 ? -32.355 -17.025 -14.669 0.25 12.54 ? 116 GLU B O   1 
ATOM   973  O O   B GLU A 1 110 ? -31.923 -16.838 -14.428 0.25 11.30 ? 116 GLU B O   1 
ATOM   974  C CB  A GLU A 1 110 ? -34.688 -18.159 -12.848 0.25 14.74 ? 116 GLU B CB  1 
ATOM   975  C CB  B GLU A 1 110 ? -34.726 -18.019 -13.191 0.25 13.68 ? 116 GLU B CB  1 
ATOM   976  C CG  A GLU A 1 110 ? -35.631 -17.998 -11.669 0.25 16.31 ? 116 GLU B CG  1 
ATOM   977  C CG  B GLU A 1 110 ? -35.872 -17.887 -12.193 0.25 15.01 ? 116 GLU B CG  1 
ATOM   978  C CD  A GLU A 1 110 ? -37.050 -18.431 -11.962 0.25 19.16 ? 116 GLU B CD  1 
ATOM   979  C CD  B GLU A 1 110 ? -35.969 -19.025 -11.188 0.25 16.49 ? 116 GLU B CD  1 
ATOM   980  O OE1 A GLU A 1 110 ? -37.526 -18.184 -13.090 0.25 21.62 ? 116 GLU B OE1 1 
ATOM   981  O OE1 B GLU A 1 110 ? -35.576 -20.157 -11.525 0.25 19.23 ? 116 GLU B OE1 1 
ATOM   982  O OE2 A GLU A 1 110 ? -37.673 -19.010 -11.060 0.25 19.79 ? 116 GLU B OE2 1 
ATOM   983  O OE2 B GLU A 1 110 ? -36.457 -18.780 -10.081 0.25 20.74 ? 116 GLU B OE2 1 
ATOM   984  N N   . ALA A 1 111 ? -31.730 -19.024 -13.797 1.00 11.77 ? 117 ALA B N   1 
ATOM   985  C CA  . ALA A 1 111 ? -30.977 -19.466 -14.975 1.00 11.76 ? 117 ALA B CA  1 
ATOM   986  C C   . ALA A 1 111 ? -31.911 -20.204 -15.910 1.00 11.83 ? 117 ALA B C   1 
ATOM   987  O O   . ALA A 1 111 ? -32.771 -21.028 -15.493 1.00 12.54 ? 117 ALA B O   1 
ATOM   988  C CB  . ALA A 1 111 ? -29.813 -20.366 -14.594 1.00 11.68 ? 117 ALA B CB  1 
ATOM   989  N N   . GLY A 1 112 ? -31.749 -19.930 -17.218 1.00 11.76 ? 118 GLY B N   1 
ATOM   990  C CA  . GLY A 1 112 ? -32.531 -20.507 -18.327 1.00 12.49 ? 118 GLY B CA  1 
ATOM   991  C C   . GLY A 1 112 ? -32.182 -21.942 -18.647 1.00 12.73 ? 118 GLY B C   1 
ATOM   992  O O   . GLY A 1 112 ? -31.929 -22.278 -19.781 1.00 14.84 ? 118 GLY B O   1 
ATOM   993  N N   . THR A 1 113 ? -32.152 -22.817 -17.661 1.00 14.83 ? 119 THR B N   1 
ATOM   994  C CA  . THR A 1 113 ? -32.187 -24.268 -17.855 1.00 15.59 ? 119 THR B CA  1 
ATOM   995  C C   . THR A 1 113 ? -33.637 -24.718 -18.100 1.00 15.13 ? 119 THR B C   1 
ATOM   996  O O   . THR A 1 113 ? -34.549 -23.900 -17.940 1.00 19.30 ? 119 THR B O   1 
ATOM   997  C CB  . THR A 1 113 ? -31.535 -24.881 -16.627 1.00 13.46 ? 119 THR B CB  1 
ATOM   998  O OG1 . THR A 1 113 ? -32.221 -24.446 -15.444 1.00 14.03 ? 119 THR B OG1 1 
ATOM   999  C CG2 . THR A 1 113 ? -30.074 -24.574 -16.473 1.00 15.36 ? 119 THR B CG2 1 
ATOM   1000 N N   . SER A 1 114 ? -33.838 -25.998 -18.460 1.00 19.02 ? 120 SER B N   1 
ATOM   1001 C CA  . SER A 1 114 ? -35.172 -26.601 -18.611 1.00 22.21 ? 120 SER B CA  1 
ATOM   1002 C C   . SER A 1 114 ? -35.300 -27.790 -17.658 1.00 23.92 ? 120 SER B C   1 
ATOM   1003 O O   . SER A 1 114 ? -34.643 -28.823 -17.827 1.00 26.43 ? 120 SER B O   1 
ATOM   1004 C CB  . SER A 1 114 ? -35.444 -26.994 -20.057 1.00 27.63 ? 120 SER B CB  1 
ATOM   1005 O OG  . SER A 1 114 ? -36.814 -27.379 -20.199 1.00 31.84 ? 120 SER B OG  1 
ATOM   1006 N N   . PRO A 1 115 ? -36.038 -27.640 -16.545 1.00 21.76 ? 121 PRO B N   1 
ATOM   1007 C CA  . PRO A 1 115 ? -36.722 -26.407 -16.180 1.00 23.26 ? 121 PRO B CA  1 
ATOM   1008 C C   . PRO A 1 115 ? -35.752 -25.406 -15.527 1.00 18.48 ? 121 PRO B C   1 
ATOM   1009 O O   . PRO A 1 115 ? -34.609 -25.748 -15.258 1.00 16.87 ? 121 PRO B O   1 
ATOM   1010 C CB  . PRO A 1 115 ? -37.739 -26.843 -15.132 1.00 25.03 ? 121 PRO B CB  1 
ATOM   1011 C CG  . PRO A 1 115 ? -37.076 -28.017 -14.452 1.00 25.46 ? 121 PRO B CG  1 
ATOM   1012 C CD  . PRO A 1 115 ? -36.201 -28.686 -15.506 1.00 24.14 ? 121 PRO B CD  1 
ATOM   1013 N N   . GLN A 1 116 ? -36.203 -24.178 -15.329 1.00 18.40 ? 122 GLN B N   1 
ATOM   1014 C CA  . GLN A 1 116 ? -35.348 -23.057 -14.882 1.00 16.81 ? 122 GLN B CA  1 
ATOM   1015 C C   . GLN A 1 116 ? -34.820 -23.320 -13.462 1.00 14.74 ? 122 GLN B C   1 
ATOM   1016 O O   . GLN A 1 116 ? -35.467 -24.056 -12.695 1.00 16.38 ? 122 GLN B O   1 
ATOM   1017 C CB  . GLN A 1 116 ? -36.061 -21.706 -14.981 1.00 23.01 ? 122 GLN B CB  1 
ATOM   1018 C CG  . GLN A 1 116 ? -37.216 -21.535 -14.024 1.00 32.39 ? 122 GLN B CG  1 
ATOM   1019 C CD  . GLN A 1 116 ? -38.528 -21.609 -14.759 1.00 41.85 ? 122 GLN B CD  1 
ATOM   1020 O OE1 . GLN A 1 116 ? -38.825 -22.569 -15.482 1.00 51.60 ? 122 GLN B OE1 1 
ATOM   1021 N NE2 . GLN A 1 116 ? -39.325 -20.579 -14.562 1.00 50.06 ? 122 GLN B NE2 1 
ATOM   1022 N N   . THR A 1 117 ? -33.657 -22.750 -13.164 1.00 13.65 ? 123 THR B N   1 
ATOM   1023 C CA  . THR A 1 117 ? -32.948 -22.924 -11.892 1.00 12.49 ? 123 THR B CA  1 
ATOM   1024 C C   . THR A 1 117 ? -32.989 -21.618 -11.101 1.00 12.05 ? 123 THR B C   1 
ATOM   1025 O O   . THR A 1 117 ? -32.502 -20.577 -11.578 1.00 13.14 ? 123 THR B O   1 
ATOM   1026 C CB  . THR A 1 117 ? -31.515 -23.407 -12.153 1.00 12.62 ? 123 THR B CB  1 
ATOM   1027 O OG1 . THR A 1 117 ? -31.588 -24.650 -12.863 1.00 14.72 ? 123 THR B OG1 1 
ATOM   1028 C CG2 . THR A 1 117 ? -30.765 -23.590 -10.858 1.00 13.09 ? 123 THR B CG2 1 
ATOM   1029 N N   . THR A 1 118 ? -33.371 -21.694 -9.827  1.00 13.23 ? 124 THR B N   1 
ATOM   1030 C CA  . THR A 1 118 ? -33.292 -20.559 -8.896  1.00 13.25 ? 124 THR B CA  1 
ATOM   1031 C C   . THR A 1 118 ? -31.872 -20.071 -8.669  1.00 13.25 ? 124 THR B C   1 
ATOM   1032 O O   . THR A 1 118 ? -30.979 -20.942 -8.416  1.00 15.09 ? 124 THR B O   1 
ATOM   1033 C CB  . THR A 1 118 ? -33.898 -21.008 -7.565  1.00 17.20 ? 124 THR B CB  1 
ATOM   1034 O OG1 . THR A 1 118 ? -35.269 -21.323 -7.807  1.00 19.39 ? 124 THR B OG1 1 
ATOM   1035 C CG2 . THR A 1 118 ? -33.704 -19.961 -6.502  1.00 19.21 ? 124 THR B CG2 1 
ATOM   1036 N N   . LEU A 1 119 ? -31.636 -18.765 -8.741  1.00 11.70 ? 125 LEU B N   1 
ATOM   1037 C CA  . LEU A 1 119 ? -30.332 -18.141 -8.463  1.00 11.58 ? 125 LEU B CA  1 
ATOM   1038 C C   . LEU A 1 119 ? -30.410 -17.573 -7.040  1.00 13.73 ? 125 LEU B C   1 
ATOM   1039 O O   . LEU A 1 119 ? -31.535 -17.292 -6.558  1.00 17.89 ? 125 LEU B O   1 
ATOM   1040 C CB  . LEU A 1 119 ? -29.930 -17.078 -9.506  1.00 11.73 ? 125 LEU B CB  1 
ATOM   1041 C CG  . LEU A 1 119 ? -29.853 -17.625 -10.935 1.00 11.58 ? 125 LEU B CG  1 
ATOM   1042 C CD1 . LEU A 1 119 ? -29.622 -16.504 -11.938 1.00 12.48 ? 125 LEU B CD1 1 
ATOM   1043 C CD2 . LEU A 1 119 ? -28.739 -18.688 -11.050 1.00 12.59 ? 125 LEU B CD2 1 
ATOM   1044 N N   . HIS A 1 120 ? -29.273 -17.456 -6.388  1.00 13.33 ? 126 HIS B N   1 
ATOM   1045 C CA  . HIS A 1 120 ? -29.175 -16.972 -4.985  1.00 13.85 ? 126 HIS B CA  1 
ATOM   1046 C C   . HIS A 1 120 ? -28.386 -15.679 -5.020  1.00 14.58 ? 126 HIS B C   1 
ATOM   1047 O O   . HIS A 1 120 ? -27.142 -15.707 -5.075  1.00 19.78 ? 126 HIS B O   1 
ATOM   1048 C CB  . HIS A 1 120 ? -28.503 -18.048 -4.128  1.00 14.38 ? 126 HIS B CB  1 
ATOM   1049 C CG  . HIS A 1 120 ? -29.257 -19.339 -4.097  1.00 15.85 ? 126 HIS B CG  1 
ATOM   1050 N ND1 . HIS A 1 120 ? -28.951 -20.434 -4.924  1.00 17.29 ? 126 HIS B ND1 1 
ATOM   1051 C CD2 . HIS A 1 120 ? -30.337 -19.723 -3.404  1.00 17.09 ? 126 HIS B CD2 1 
ATOM   1052 C CE1 . HIS A 1 120 ? -29.822 -21.399 -4.703  1.00 18.23 ? 126 HIS B CE1 1 
ATOM   1053 N NE2 . HIS A 1 120 ? -30.651 -21.025 -3.745  1.00 17.22 ? 126 HIS B NE2 1 
ATOM   1054 N N   . ILE A 1 121 ? -29.058 -14.550 -5.099  1.00 19.33 ? 127 ILE B N   1 
ATOM   1055 C CA  . ILE A 1 121 ? -28.407 -13.224 -5.193  1.00 21.55 ? 127 ILE B CA  1 
ATOM   1056 C C   . ILE A 1 121 ? -28.800 -12.380 -3.960  1.00 20.17 ? 127 ILE B C   1 
ATOM   1057 O O   . ILE A 1 121 ? -30.006 -12.104 -3.775  1.00 26.60 ? 127 ILE B O   1 
ATOM   1058 C CB  . ILE A 1 121 ? -28.818 -12.601 -6.545  1.00 22.30 ? 127 ILE B CB  1 
ATOM   1059 C CG1 . ILE A 1 121 ? -28.252 -13.443 -7.702  1.00 21.44 ? 127 ILE B CG1 1 
ATOM   1060 C CG2 . ILE A 1 121 ? -28.376 -11.140 -6.571  1.00 27.12 ? 127 ILE B CG2 1 
ATOM   1061 C CD1 . ILE A 1 121 ? -28.317 -12.797 -9.085  1.00 23.59 ? 127 ILE B CD1 1 
ATOM   1062 N N   . GLN A 1 122 ? -27.820 -12.025 -3.143  1.00 25.99 ? 128 GLN B N   1 
ATOM   1063 C CA  . GLN A 1 122 ? -28.043 -11.208 -1.917  1.00 27.42 ? 128 GLN B CA  1 
ATOM   1064 C C   . GLN A 1 122 ? -27.985 -9.713  -2.275  1.00 24.25 ? 128 GLN B C   1 
ATOM   1065 O O   . GLN A 1 122 ? -28.782 -8.942  -1.690  1.00 24.20 ? 128 GLN B O   1 
ATOM   1066 C CB  . GLN A 1 122 ? -26.992 -11.583 -0.863  1.00 32.16 ? 128 GLN B CB  1 
ATOM   1067 C CG  . GLN A 1 122 ? -27.113 -10.791 0.440   1.00 42.26 ? 128 GLN B CG  1 
ATOM   1068 C CD  . GLN A 1 122 ? -28.393 -11.077 1.201   1.00 47.82 ? 128 GLN B CD  1 
ATOM   1069 O OE1 . GLN A 1 122 ? -29.079 -12.067 0.954   1.00 56.01 ? 128 GLN B OE1 1 
ATOM   1070 N NE2 . GLN A 1 122 ? -28.742 -10.193 2.126   1.00 49.76 ? 128 GLN B NE2 1 
ATOM   1071 N N   . VAL A 1 123 ? -27.164 -9.343  -3.255  1.00 21.38 ? 129 VAL B N   1 
ATOM   1072 C CA  . VAL A 1 123 ? -26.987 -7.929  -3.703  1.00 19.52 ? 129 VAL B CA  1 
ATOM   1073 C C   . VAL A 1 123 ? -27.550 -7.773  -5.115  1.00 20.31 ? 129 VAL B C   1 
ATOM   1074 O O   . VAL A 1 123 ? -26.922 -8.242  -6.064  1.00 18.00 ? 129 VAL B O   1 
ATOM   1075 C CB  . VAL A 1 123 ? -25.504 -7.521  -3.664  1.00 20.67 ? 129 VAL B CB  1 
ATOM   1076 C CG1 . VAL A 1 123 ? -25.309 -6.084  -4.121  1.00 22.08 ? 129 VAL B CG1 1 
ATOM   1077 C CG2 . VAL A 1 123 ? -24.927 -7.707  -2.263  1.00 23.42 ? 129 VAL B CG2 1 
ATOM   1078 N N   . PRO A 1 124 ? -28.755 -7.196  -5.317  1.00 18.65 ? 130 PRO B N   1 
ATOM   1079 C CA  . PRO A 1 124 ? -29.316 -7.075  -6.673  1.00 18.07 ? 130 PRO B CA  1 
ATOM   1080 C C   . PRO A 1 124 ? -28.308 -6.405  -7.588  1.00 16.86 ? 130 PRO B C   1 
ATOM   1081 O O   . PRO A 1 124 ? -27.833 -5.324  -7.315  1.00 17.90 ? 130 PRO B O   1 
ATOM   1082 C CB  . PRO A 1 124 ? -30.560 -6.191  -6.432  1.00 20.28 ? 130 PRO B CB  1 
ATOM   1083 C CG  . PRO A 1 124 ? -30.993 -6.628  -5.040  1.00 21.53 ? 130 PRO B CG  1 
ATOM   1084 C CD  . PRO A 1 124 ? -29.695 -6.695  -4.293  1.00 21.44 ? 130 PRO B CD  1 
ATOM   1085 N N   . PRO A 1 125 ? -27.912 -7.030  -8.721  1.00 15.17 ? 131 PRO B N   1 
ATOM   1086 C CA  . PRO A 1 125 ? -26.898 -6.456  -9.586  1.00 14.89 ? 131 PRO B CA  1 
ATOM   1087 C C   . PRO A 1 125 ? -27.413 -5.233  -10.369 1.00 14.64 ? 131 PRO B C   1 
ATOM   1088 O O   . PRO A 1 125 ? -28.543 -5.283  -10.855 1.00 15.64 ? 131 PRO B O   1 
ATOM   1089 C CB  . PRO A 1 125 ? -26.507 -7.613  -10.532 1.00 16.93 ? 131 PRO B CB  1 
ATOM   1090 C CG  . PRO A 1 125 ? -27.613 -8.582  -10.427 1.00 17.16 ? 131 PRO B CG  1 
ATOM   1091 C CD  . PRO A 1 125 ? -28.275 -8.407  -9.085  1.00 15.68 ? 131 PRO B CD  1 
ATOM   1092 N N   . CYS A 1 126 ? -26.583 -4.220  -10.484 1.00 15.46 ? 132 CYS B N   1 
ATOM   1093 C CA  . CYS A 1 126 ? -26.764 -3.096  -11.442 1.00 16.59 ? 132 CYS B CA  1 
ATOM   1094 C C   . CYS A 1 126 ? -25.986 -3.363  -12.738 1.00 15.71 ? 132 CYS B C   1 
ATOM   1095 O O   . CYS A 1 126 ? -26.319 -2.809  -13.768 1.00 13.84 ? 132 CYS B O   1 
ATOM   1096 C CB  . CYS A 1 126 ? -26.360 -1.756  -10.864 1.00 19.27 ? 132 CYS B CB  1 
ATOM   1097 S SG  . CYS A 1 126 ? -27.376 -1.343  -9.418  1.00 25.02 ? 132 CYS B SG  1 
ATOM   1098 N N   A GLN A 1 127 ? -24.939 -4.196  -12.697 0.25 15.13 ? 133 GLN B N   1 
ATOM   1099 N N   B GLN A 1 127 ? -24.976 -4.235  -12.673 0.25 16.06 ? 133 GLN B N   1 
ATOM   1100 C CA  A GLN A 1 127 ? -24.192 -4.608  -13.920 0.25 15.35 ? 133 GLN B CA  1 
ATOM   1101 C CA  B GLN A 1 127 ? -24.158 -4.630  -13.847 0.25 16.95 ? 133 GLN B CA  1 
ATOM   1102 C C   A GLN A 1 127 ? -23.843 -6.096  -13.808 0.25 14.80 ? 133 GLN B C   1 
ATOM   1103 C C   B GLN A 1 127 ? -23.948 -6.146  -13.777 0.25 15.63 ? 133 GLN B C   1 
ATOM   1104 O O   A GLN A 1 127 ? -23.522 -6.551  -12.686 0.25 13.92 ? 133 GLN B O   1 
ATOM   1105 O O   B GLN A 1 127 ? -23.890 -6.689  -12.648 0.25 13.88 ? 133 GLN B O   1 
ATOM   1106 C CB  A GLN A 1 127 ? -22.907 -3.806  -14.169 0.25 16.58 ? 133 GLN B CB  1 
ATOM   1107 C CB  B GLN A 1 127 ? -22.826 -3.872  -13.894 0.25 19.92 ? 133 GLN B CB  1 
ATOM   1108 C CG  A GLN A 1 127 ? -23.114 -2.316  -14.404 0.25 17.92 ? 133 GLN B CG  1 
ATOM   1109 C CG  B GLN A 1 127 ? -22.973 -2.367  -14.055 0.25 22.52 ? 133 GLN B CG  1 
ATOM   1110 C CD  A GLN A 1 127 ? -23.067 -1.554  -13.105 0.25 18.41 ? 133 GLN B CD  1 
ATOM   1111 C CD  B GLN A 1 127 ? -21.697 -1.693  -14.499 0.25 24.56 ? 133 GLN B CD  1 
ATOM   1112 O OE1 A GLN A 1 127 ? -22.371 -1.945  -12.171 0.25 19.54 ? 133 GLN B OE1 1 
ATOM   1113 O OE1 B GLN A 1 127 ? -20.727 -2.326  -14.928 0.25 28.67 ? 133 GLN B OE1 1 
ATOM   1114 N NE2 A GLN A 1 127 ? -23.818 -0.463  -13.033 0.25 18.83 ? 133 GLN B NE2 1 
ATOM   1115 N NE2 B GLN A 1 127 ? -21.695 -0.377  -14.409 0.25 27.15 ? 133 GLN B NE2 1 
ATOM   1116 N N   . ILE A 1 128 ? -23.937 -6.791  -14.947 1.00 14.12 ? 134 ILE B N   1 
ATOM   1117 C CA  . ILE A 1 128 ? -23.747 -8.265  -15.085 1.00 13.15 ? 134 ILE B CA  1 
ATOM   1118 C C   . ILE A 1 128 ? -22.524 -8.428  -15.994 1.00 14.24 ? 134 ILE B C   1 
ATOM   1119 O O   . ILE A 1 128 ? -22.455 -7.796  -17.086 1.00 13.28 ? 134 ILE B O   1 
ATOM   1120 C CB  . ILE A 1 128 ? -25.012 -8.882  -15.697 1.00 14.11 ? 134 ILE B CB  1 
ATOM   1121 C CG1 . ILE A 1 128 ? -26.297 -8.694  -14.885 1.00 16.23 ? 134 ILE B CG1 1 
ATOM   1122 C CG2 . ILE A 1 128 ? -24.731 -10.357 -15.997 1.00 13.68 ? 134 ILE B CG2 1 
ATOM   1123 C CD1 . ILE A 1 128 ? -26.346 -9.458  -13.624 1.00 16.05 ? 134 ILE B CD1 1 
ATOM   1124 N N   . GLY A 1 129 ? -21.582 -9.280  -15.605 1.00 13.97 ? 135 GLY B N   1 
ATOM   1125 C CA  . GLY A 1 129 ? -20.493 -9.704  -16.496 1.00 13.38 ? 135 GLY B CA  1 
ATOM   1126 C C   . GLY A 1 129 ? -20.777 -11.086 -17.056 1.00 13.33 ? 135 GLY B C   1 
ATOM   1127 O O   . GLY A 1 129 ? -21.323 -11.934 -16.361 1.00 13.21 ? 135 GLY B O   1 
ATOM   1128 N N   . ILE A 1 130 ? -20.550 -11.231 -18.362 1.00 12.75 ? 136 ILE B N   1 
ATOM   1129 C CA  . ILE A 1 130 ? -20.781 -12.499 -19.118 1.00 12.98 ? 136 ILE B CA  1 
ATOM   1130 C C   . ILE A 1 130 ? -19.461 -12.985 -19.704 1.00 13.51 ? 136 ILE B C   1 
ATOM   1131 O O   . ILE A 1 130 ? -18.770 -12.232 -20.389 1.00 12.49 ? 136 ILE B O   1 
ATOM   1132 C CB  . ILE A 1 130 ? -21.843 -12.294 -20.208 1.00 14.26 ? 136 ILE B CB  1 
ATOM   1133 C CG1 . ILE A 1 130 ? -23.128 -11.763 -19.572 1.00 16.22 ? 136 ILE B CG1 1 
ATOM   1134 C CG2 . ILE A 1 130 ? -22.065 -13.559 -21.046 1.00 14.20 ? 136 ILE B CG2 1 
ATOM   1135 C CD1 . ILE A 1 130 ? -24.209 -11.433 -20.536 1.00 18.08 ? 136 ILE B CD1 1 
ATOM   1136 N N   . PHE A 1 131 ? -19.115 -14.207 -19.363 1.00 13.03 ? 137 PHE B N   1 
ATOM   1137 C CA  . PHE A 1 131 ? -17.859 -14.856 -19.807 1.00 12.70 ? 137 PHE B CA  1 
ATOM   1138 C C   . PHE A 1 131 ? -18.217 -16.103 -20.600 1.00 11.81 ? 137 PHE B C   1 
ATOM   1139 O O   . PHE A 1 131 ? -19.002 -16.949 -20.174 1.00 12.68 ? 137 PHE B O   1 
ATOM   1140 C CB  . PHE A 1 131 ? -17.005 -15.284 -18.615 1.00 14.04 ? 137 PHE B CB  1 
ATOM   1141 C CG  . PHE A 1 131 ? -15.756 -16.045 -19.004 1.00 14.54 ? 137 PHE B CG  1 
ATOM   1142 C CD1 . PHE A 1 131 ? -14.743 -15.419 -19.703 1.00 16.27 ? 137 PHE B CD1 1 
ATOM   1143 C CD2 . PHE A 1 131 ? -15.574 -17.365 -18.630 1.00 16.66 ? 137 PHE B CD2 1 
ATOM   1144 C CE1 . PHE A 1 131 ? -13.588 -16.114 -20.047 1.00 18.27 ? 137 PHE B CE1 1 
ATOM   1145 C CE2 . PHE A 1 131 ? -14.432 -18.065 -18.996 1.00 18.44 ? 137 PHE B CE2 1 
ATOM   1146 C CZ  . PHE A 1 131 ? -13.437 -17.429 -19.687 1.00 15.71 ? 137 PHE B CZ  1 
ATOM   1147 N N   . VAL A 1 132 ? -17.658 -16.215 -21.816 1.00 12.22 ? 138 VAL B N   1 
ATOM   1148 C CA  . VAL A 1 132 ? -17.823 -17.412 -22.667 1.00 12.51 ? 138 VAL B CA  1 
ATOM   1149 C C   . VAL A 1 132 ? -16.448 -18.011 -22.969 1.00 12.04 ? 138 VAL B C   1 
ATOM   1150 O O   . VAL A 1 132 ? -15.558 -17.291 -23.442 1.00 13.65 ? 138 VAL B O   1 
ATOM   1151 C CB  . VAL A 1 132 ? -18.551 -17.085 -23.976 1.00 12.23 ? 138 VAL B CB  1 
ATOM   1152 C CG1 . VAL A 1 132 ? -18.720 -18.352 -24.824 1.00 13.15 ? 138 VAL B CG1 1 
ATOM   1153 C CG2 . VAL A 1 132 ? -19.886 -16.415 -23.673 1.00 13.50 ? 138 VAL B CG2 1 
ATOM   1154 N N   . ASP A 1 133 ? -16.284 -19.301 -22.692 1.00 11.94 ? 139 ASP B N   1 
ATOM   1155 C CA  . ASP A 1 133 ? -15.106 -20.093 -23.165 1.00 13.27 ? 139 ASP B CA  1 
ATOM   1156 C C   . ASP A 1 133 ? -15.631 -21.104 -24.168 1.00 12.57 ? 139 ASP B C   1 
ATOM   1157 O O   . ASP A 1 133 ? -16.276 -22.069 -23.787 1.00 12.52 ? 139 ASP B O   1 
ATOM   1158 C CB  . ASP A 1 133 ? -14.374 -20.695 -21.978 1.00 13.72 ? 139 ASP B CB  1 
ATOM   1159 C CG  . ASP A 1 133 ? -13.108 -21.449 -22.363 1.00 16.60 ? 139 ASP B CG  1 
ATOM   1160 O OD1 . ASP A 1 133 ? -12.989 -21.880 -23.542 1.00 16.83 ? 139 ASP B OD1 1 
ATOM   1161 O OD2 . ASP A 1 133 ? -12.269 -21.607 -21.425 1.00 22.25 ? 139 ASP B OD2 1 
ATOM   1162 N N   . TYR A 1 134 ? -15.413 -20.818 -25.464 1.00 12.90 ? 140 TYR B N   1 
ATOM   1163 C CA  . TYR A 1 134 ? -15.996 -21.630 -26.535 1.00 13.16 ? 140 TYR B CA  1 
ATOM   1164 C C   . TYR A 1 134 ? -15.462 -23.073 -26.470 1.00 13.20 ? 140 TYR B C   1 
ATOM   1165 O O   . TYR A 1 134 ? -16.236 -24.033 -26.399 1.00 15.08 ? 140 TYR B O   1 
ATOM   1166 C CB  . TYR A 1 134 ? -15.753 -20.989 -27.902 1.00 13.37 ? 140 TYR B CB  1 
ATOM   1167 C CG  . TYR A 1 134 ? -16.681 -21.570 -28.945 1.00 13.20 ? 140 TYR B CG  1 
ATOM   1168 C CD1 . TYR A 1 134 ? -16.518 -22.870 -29.404 1.00 13.34 ? 140 TYR B CD1 1 
ATOM   1169 C CD2 . TYR A 1 134 ? -17.833 -20.909 -29.354 1.00 13.73 ? 140 TYR B CD2 1 
ATOM   1170 C CE1 . TYR A 1 134 ? -17.397 -23.456 -30.302 1.00 14.09 ? 140 TYR B CE1 1 
ATOM   1171 C CE2 . TYR A 1 134 ? -18.738 -21.493 -30.232 1.00 13.35 ? 140 TYR B CE2 1 
ATOM   1172 C CZ  . TYR A 1 134 ? -18.517 -22.770 -30.736 1.00 12.61 ? 140 TYR B CZ  1 
ATOM   1173 O OH  . TYR A 1 134 ? -19.418 -23.376 -31.566 1.00 12.99 ? 140 TYR B OH  1 
ATOM   1174 N N   . GLU A 1 135 ? -14.155 -23.203 -26.350 1.00 15.88 ? 141 GLU B N   1 
ATOM   1175 C CA  . GLU A 1 135 ? -13.532 -24.550 -26.403 1.00 17.07 ? 141 GLU B CA  1 
ATOM   1176 C C   . GLU A 1 135 ? -13.963 -25.352 -25.188 1.00 14.77 ? 141 GLU B C   1 
ATOM   1177 O O   . GLU A 1 135 ? -14.294 -26.560 -25.335 1.00 17.67 ? 141 GLU B O   1 
ATOM   1178 C CB  . GLU A 1 135 ? -12.010 -24.456 -26.485 1.00 17.75 ? 141 GLU B CB  1 
ATOM   1179 C CG  . GLU A 1 135 ? -11.540 -24.264 -27.935 1.00 24.23 ? 141 GLU B CG  1 
ATOM   1180 C CD  . GLU A 1 135 ? -11.919 -22.938 -28.513 1.00 27.53 ? 141 GLU B CD  1 
ATOM   1181 O OE1 . GLU A 1 135 ? -12.132 -22.894 -29.696 1.00 27.26 ? 141 GLU B OE1 1 
ATOM   1182 O OE2 . GLU A 1 135 ? -11.996 -21.931 -27.745 1.00 30.14 ? 141 GLU B OE2 1 
ATOM   1183 N N   . ALA A 1 136 ? -14.002 -24.748 -24.008 1.00 14.78 ? 142 ALA B N   1 
ATOM   1184 C CA  . ALA A 1 136 ? -14.357 -25.465 -22.778 1.00 14.59 ? 142 ALA B CA  1 
ATOM   1185 C C   . ALA A 1 136 ? -15.857 -25.771 -22.702 1.00 15.69 ? 142 ALA B C   1 
ATOM   1186 O O   . ALA A 1 136 ? -16.243 -26.646 -21.918 1.00 17.19 ? 142 ALA B O   1 
ATOM   1187 C CB  . ALA A 1 136 ? -13.953 -24.652 -21.581 1.00 16.54 ? 142 ALA B CB  1 
ATOM   1188 N N   . GLY A 1 137 ? -16.706 -25.065 -23.458 1.00 13.08 ? 143 GLY B N   1 
ATOM   1189 C CA  . GLY A 1 137 ? -18.153 -25.238 -23.345 1.00 12.05 ? 143 GLY B CA  1 
ATOM   1190 C C   . GLY A 1 137 ? -18.694 -24.628 -22.046 1.00 11.74 ? 143 GLY B C   1 
ATOM   1191 O O   . GLY A 1 137 ? -19.472 -25.315 -21.371 1.00 12.41 ? 143 GLY B O   1 
ATOM   1192 N N   . VAL A 1 138 ? -18.334 -23.381 -21.768 1.00 12.15 ? 144 VAL B N   1 
ATOM   1193 C CA  . VAL A 1 138 ? -18.666 -22.665 -20.491 1.00 12.15 ? 144 VAL B CA  1 
ATOM   1194 C C   . VAL A 1 138 ? -19.277 -21.305 -20.804 1.00 12.17 ? 144 VAL B C   1 
ATOM   1195 O O   . VAL A 1 138 ? -18.711 -20.524 -21.601 1.00 13.36 ? 144 VAL B O   1 
ATOM   1196 C CB  . VAL A 1 138 ? -17.406 -22.500 -19.623 1.00 13.65 ? 144 VAL B CB  1 
ATOM   1197 C CG1 . VAL A 1 138 ? -17.652 -21.546 -18.449 1.00 14.20 ? 144 VAL B CG1 1 
ATOM   1198 C CG2 . VAL A 1 138 ? -16.968 -23.863 -19.143 1.00 15.09 ? 144 VAL B CG2 1 
ATOM   1199 N N   . VAL A 1 139 ? -20.389 -21.011 -20.124 1.00 11.78 ? 145 VAL B N   1 
ATOM   1200 C CA  . VAL A 1 139 ? -20.946 -19.643 -20.052 1.00 10.85 ? 145 VAL B CA  1 
ATOM   1201 C C   . VAL A 1 139 ? -21.135 -19.277 -18.566 1.00 10.66 ? 145 VAL B C   1 
ATOM   1202 O O   . VAL A 1 139 ? -21.925 -19.973 -17.921 1.00 12.19 ? 145 VAL B O   1 
ATOM   1203 C CB  . VAL A 1 139 ? -22.278 -19.514 -20.824 1.00 11.14 ? 145 VAL B CB  1 
ATOM   1204 C CG1 . VAL A 1 139 ? -22.709 -18.046 -20.821 1.00 11.45 ? 145 VAL B CG1 1 
ATOM   1205 C CG2 . VAL A 1 139 ? -22.136 -20.043 -22.243 1.00 11.61 ? 145 VAL B CG2 1 
ATOM   1206 N N   . SER A 1 140 ? -20.481 -18.219 -18.112 1.00 10.72 ? 146 SER B N   1 
ATOM   1207 C CA  . SER A 1 140 ? -20.573 -17.828 -16.690 1.00 11.58 ? 146 SER B CA  1 
ATOM   1208 C C   . SER A 1 140 ? -21.062 -16.387 -16.580 1.00 11.78 ? 146 SER B C   1 
ATOM   1209 O O   . SER A 1 140 ? -20.756 -15.560 -17.425 1.00 12.97 ? 146 SER B O   1 
ATOM   1210 C CB  . SER A 1 140 ? -19.244 -18.004 -15.995 1.00 11.90 ? 146 SER B CB  1 
ATOM   1211 O OG  . SER A 1 140 ? -18.910 -19.386 -15.886 1.00 12.92 ? 146 SER B OG  1 
ATOM   1212 N N   . PHE A 1 141 ? -21.761 -16.121 -15.486 1.00 11.09 ? 147 PHE B N   1 
ATOM   1213 C CA  . PHE A 1 141 ? -22.379 -14.809 -15.177 1.00 11.34 ? 147 PHE B CA  1 
ATOM   1214 C C   . PHE A 1 141 ? -21.848 -14.348 -13.827 1.00 10.95 ? 147 PHE B C   1 
ATOM   1215 O O   . PHE A 1 141 ? -21.874 -15.141 -12.847 1.00 12.28 ? 147 PHE B O   1 
ATOM   1216 C CB  . PHE A 1 141 ? -23.926 -14.898 -15.166 1.00 11.18 ? 147 PHE B CB  1 
ATOM   1217 C CG  . PHE A 1 141 ? -24.486 -15.316 -16.503 1.00 11.15 ? 147 PHE B CG  1 
ATOM   1218 C CD1 . PHE A 1 141 ? -24.556 -16.668 -16.863 1.00 10.84 ? 147 PHE B CD1 1 
ATOM   1219 C CD2 . PHE A 1 141 ? -25.001 -14.354 -17.370 1.00 10.84 ? 147 PHE B CD2 1 
ATOM   1220 C CE1 . PHE A 1 141 ? -25.026 -17.012 -18.130 1.00 11.02 ? 147 PHE B CE1 1 
ATOM   1221 C CE2 . PHE A 1 141 ? -25.480 -14.717 -18.624 1.00 10.08 ? 147 PHE B CE2 1 
ATOM   1222 C CZ  . PHE A 1 141 ? -25.554 -16.044 -18.959 1.00 10.36 ? 147 PHE B CZ  1 
ATOM   1223 N N   . TYR A 1 142 ? -21.523 -13.061 -13.768 1.00 10.97 ? 148 TYR B N   1 
ATOM   1224 C CA  . TYR A 1 142 ? -20.887 -12.430 -12.583 1.00 12.90 ? 148 TYR B CA  1 
ATOM   1225 C C   . TYR A 1 142 ? -21.659 -11.176 -12.164 1.00 14.33 ? 148 TYR B C   1 
ATOM   1226 O O   . TYR A 1 142 ? -22.134 -10.393 -12.962 1.00 14.61 ? 148 TYR B O   1 
ATOM   1227 C CB  . TYR A 1 142 ? -19.411 -12.144 -12.817 1.00 13.23 ? 148 TYR B CB  1 
ATOM   1228 C CG  . TYR A 1 142 ? -18.596 -13.373 -13.122 1.00 14.19 ? 148 TYR B CG  1 
ATOM   1229 C CD1 . TYR A 1 142 ? -18.101 -14.150 -12.106 1.00 14.11 ? 148 TYR B CD1 1 
ATOM   1230 C CD2 . TYR A 1 142 ? -18.370 -13.797 -14.419 1.00 14.66 ? 148 TYR B CD2 1 
ATOM   1231 C CE1 . TYR A 1 142 ? -17.404 -15.319 -12.350 1.00 15.98 ? 148 TYR B CE1 1 
ATOM   1232 C CE2 . TYR A 1 142 ? -17.691 -14.981 -14.683 1.00 14.51 ? 148 TYR B CE2 1 
ATOM   1233 C CZ  . TYR A 1 142 ? -17.140 -15.710 -13.651 1.00 15.57 ? 148 TYR B CZ  1 
ATOM   1234 O OH  . TYR A 1 142 ? -16.504 -16.900 -13.932 1.00 17.88 ? 148 TYR B OH  1 
ATOM   1235 N N   . ASN A 1 143 ? -21.731 -10.980 -10.850 1.00 14.70 ? 149 ASN B N   1 
ATOM   1236 C CA  . ASN A 1 143 ? -22.416 -9.811  -10.218 1.00 14.42 ? 149 ASN B CA  1 
ATOM   1237 C C   . ASN A 1 143 ? -21.365 -8.705  -10.023 1.00 14.97 ? 149 ASN B C   1 
ATOM   1238 O O   . ASN A 1 143 ? -20.593 -8.725  -9.043  1.00 15.90 ? 149 ASN B O   1 
ATOM   1239 C CB  . ASN A 1 143 ? -23.044 -10.244 -8.896  1.00 14.53 ? 149 ASN B CB  1 
ATOM   1240 C CG  . ASN A 1 143 ? -23.860 -9.145  -8.239  1.00 15.25 ? 149 ASN B CG  1 
ATOM   1241 O OD1 . ASN A 1 143 ? -23.648 -7.972  -8.581  1.00 16.81 ? 149 ASN B OD1 1 
ATOM   1242 N ND2 . ASN A 1 143 ? -24.748 -9.519  -7.349  1.00 15.89 ? 149 ASN B ND2 1 
ATOM   1243 N N   . ILE A 1 144 ? -21.307 -7.713  -10.910 1.00 15.90 ? 150 ILE B N   1 
ATOM   1244 C CA  . ILE A 1 144 ? -20.255 -6.678  -10.878 1.00 16.15 ? 150 ILE B CA  1 
ATOM   1245 C C   . ILE A 1 144 ? -20.508 -5.791  -9.643  1.00 18.16 ? 150 ILE B C   1 
ATOM   1246 O O   . ILE A 1 144 ? -19.511 -5.330  -9.038  1.00 20.15 ? 150 ILE B O   1 
ATOM   1247 C CB  . ILE A 1 144 ? -20.245 -5.875  -12.190 1.00 17.70 ? 150 ILE B CB  1 
ATOM   1248 C CG1 . ILE A 1 144 ? -20.043 -6.762  -13.425 1.00 19.32 ? 150 ILE B CG1 1 
ATOM   1249 C CG2 . ILE A 1 144 ? -19.212 -4.756  -12.119 1.00 19.20 ? 150 ILE B CG2 1 
ATOM   1250 C CD1 . ILE A 1 144 ? -18.969 -7.787  -13.273 1.00 22.32 ? 150 ILE B CD1 1 
ATOM   1251 N N   . THR A 1 145 ? -21.755 -5.606  -9.252  1.00 17.90 ? 151 THR B N   1 
ATOM   1252 C CA  . THR A 1 145 ? -22.112 -4.750  -8.068  1.00 18.50 ? 151 THR B CA  1 
ATOM   1253 C C   . THR A 1 145 ? -21.550 -5.384  -6.792  1.00 21.19 ? 151 THR B C   1 
ATOM   1254 O O   . THR A 1 145 ? -21.173 -4.629  -5.881  1.00 25.64 ? 151 THR B O   1 
ATOM   1255 C CB  . THR A 1 145 ? -23.637 -4.622  -7.974  1.00 17.48 ? 151 THR B CB  1 
ATOM   1256 O OG1 . THR A 1 145 ? -24.046 -4.126  -9.246  1.00 17.29 ? 151 THR B OG1 1 
ATOM   1257 C CG2 . THR A 1 145 ? -24.041 -3.663  -6.874  1.00 19.37 ? 151 THR B CG2 1 
ATOM   1258 N N   . ASP A 1 146 ? -21.496 -6.713  -6.720  1.00 20.44 ? 152 ASP B N   1 
ATOM   1259 C CA  . ASP A 1 146 ? -21.000 -7.487  -5.540  1.00 20.28 ? 152 ASP B CA  1 
ATOM   1260 C C   . ASP A 1 146 ? -19.577 -8.002  -5.803  1.00 21.40 ? 152 ASP B C   1 
ATOM   1261 O O   . ASP A 1 146 ? -19.340 -9.192  -5.623  1.00 21.16 ? 152 ASP B O   1 
ATOM   1262 C CB  . ASP A 1 146 ? -22.024 -8.535  -5.177  1.00 20.36 ? 152 ASP B CB  1 
ATOM   1263 C CG  . ASP A 1 146 ? -21.686 -9.296  -3.920  1.00 24.58 ? 152 ASP B CG  1 
ATOM   1264 O OD1 . ASP A 1 146 ? -21.269 -8.649  -2.954  1.00 25.60 ? 152 ASP B OD1 1 
ATOM   1265 O OD2 . ASP A 1 146 ? -21.826 -10.524 -3.959  1.00 24.68 ? 152 ASP B OD2 1 
ATOM   1266 N N   . HIS A 1 147 ? -18.673 -7.127  -6.218  1.00 21.89 ? 153 HIS B N   1 
ATOM   1267 C CA  . HIS A 1 147 ? -17.226 -7.413  -6.391  1.00 26.08 ? 153 HIS B CA  1 
ATOM   1268 C C   . HIS A 1 147 ? -17.044 -8.640  -7.295  1.00 26.23 ? 153 HIS B C   1 
ATOM   1269 O O   . HIS A 1 147 ? -16.127 -9.442  -7.070  1.00 27.20 ? 153 HIS B O   1 
ATOM   1270 C CB  . HIS A 1 147 ? -16.544 -7.666  -5.033  1.00 31.71 ? 153 HIS B CB  1 
ATOM   1271 C CG  . HIS A 1 147 ? -16.929 -6.772  -3.893  1.00 42.10 ? 153 HIS B CG  1 
ATOM   1272 N ND1 . HIS A 1 147 ? -16.641 -5.410  -3.872  1.00 52.22 ? 153 HIS B ND1 1 
ATOM   1273 C CD2 . HIS A 1 147 ? -17.525 -7.053  -2.709  1.00 49.15 ? 153 HIS B CD2 1 
ATOM   1274 C CE1 . HIS A 1 147 ? -17.077 -4.885  -2.738  1.00 56.22 ? 153 HIS B CE1 1 
ATOM   1275 N NE2 . HIS A 1 147 ? -17.615 -5.878  -1.997  1.00 55.12 ? 153 HIS B NE2 1 
ATOM   1276 N N   . GLY A 1 148 ? -17.916 -8.839  -8.281  1.00 21.25 ? 154 GLY B N   1 
ATOM   1277 C CA  . GLY A 1 148 ? -17.622 -9.869  -9.293  1.00 18.86 ? 154 GLY B CA  1 
ATOM   1278 C C   . GLY A 1 148 ? -18.020 -11.264 -8.864  1.00 17.13 ? 154 GLY B C   1 
ATOM   1279 O O   . GLY A 1 148 ? -17.504 -12.172 -9.444  1.00 18.30 ? 154 GLY B O   1 
ATOM   1280 N N   . SER A 1 149 ? -18.870 -11.415 -7.869  1.00 16.42 ? 155 SER B N   1 
ATOM   1281 C CA  . SER A 1 149 ? -19.252 -12.738 -7.319  1.00 14.64 ? 155 SER B CA  1 
ATOM   1282 C C   . SER A 1 149 ? -19.958 -13.574 -8.396  1.00 15.65 ? 155 SER B C   1 
ATOM   1283 O O   . SER A 1 149 ? -20.729 -13.031 -9.211  1.00 15.76 ? 155 SER B O   1 
ATOM   1284 C CB  . SER A 1 149 ? -20.072 -12.626 -6.077  1.00 16.35 ? 155 SER B CB  1 
ATOM   1285 O OG  . SER A 1 149 ? -21.311 -11.904 -6.242  1.00 16.76 ? 155 SER B OG  1 
ATOM   1286 N N   . LEU A 1 150 ? -19.721 -14.867 -8.397  1.00 14.95 ? 156 LEU B N   1 
ATOM   1287 C CA  . LEU A 1 150 ? -20.376 -15.764 -9.375  1.00 12.76 ? 156 LEU B CA  1 
ATOM   1288 C C   . LEU A 1 150 ? -21.865 -15.837 -9.128  1.00 12.58 ? 156 LEU B C   1 
ATOM   1289 O O   . LEU A 1 150 ? -22.340 -16.063 -8.003  1.00 13.30 ? 156 LEU B O   1 
ATOM   1290 C CB  . LEU A 1 150 ? -19.779 -17.168 -9.244  1.00 13.44 ? 156 LEU B CB  1 
ATOM   1291 C CG  . LEU A 1 150 ? -20.281 -18.232 -10.223 1.00 13.08 ? 156 LEU B CG  1 
ATOM   1292 C CD1 . LEU A 1 150 ? -19.892 -17.917 -11.665 1.00 13.48 ? 156 LEU B CD1 1 
ATOM   1293 C CD2 . LEU A 1 150 ? -19.726 -19.621 -9.812  1.00 14.02 ? 156 LEU B CD2 1 
ATOM   1294 N N   . ILE A 1 151 ? -22.619 -15.687 -10.209 1.00 11.19 ? 157 ILE B N   1 
ATOM   1295 C CA  . ILE A 1 151 ? -24.064 -15.912 -10.257 1.00 11.96 ? 157 ILE B CA  1 
ATOM   1296 C C   . ILE A 1 151 ? -24.373 -17.344 -10.706 1.00 11.26 ? 157 ILE B C   1 
ATOM   1297 O O   . ILE A 1 151 ? -25.221 -18.019 -10.105 1.00 11.90 ? 157 ILE B O   1 
ATOM   1298 C CB  . ILE A 1 151 ? -24.742 -14.837 -11.127 1.00 12.95 ? 157 ILE B CB  1 
ATOM   1299 C CG1 . ILE A 1 151 ? -24.572 -13.437 -10.542 1.00 12.96 ? 157 ILE B CG1 1 
ATOM   1300 C CG2 . ILE A 1 151 ? -26.224 -15.151 -11.332 1.00 12.49 ? 157 ILE B CG2 1 
ATOM   1301 C CD1 . ILE A 1 151 ? -25.001 -12.318 -11.490 1.00 13.61 ? 157 ILE B CD1 1 
ATOM   1302 N N   . TYR A 1 152 ? -23.834 -17.729 -11.867 1.00 11.01 ? 158 TYR B N   1 
ATOM   1303 C CA  . TYR A 1 152 ? -24.223 -19.042 -12.454 1.00 10.49 ? 158 TYR B CA  1 
ATOM   1304 C C   . TYR A 1 152 ? -23.196 -19.432 -13.528 1.00 10.55 ? 158 TYR B C   1 
ATOM   1305 O O   . TYR A 1 152 ? -22.715 -18.555 -14.242 1.00 11.04 ? 158 TYR B O   1 
ATOM   1306 C CB  . TYR A 1 152 ? -25.608 -18.992 -13.164 1.00 10.94 ? 158 TYR B CB  1 
ATOM   1307 C CG  . TYR A 1 152 ? -26.143 -20.348 -13.502 1.00 10.25 ? 158 TYR B CG  1 
ATOM   1308 C CD1 . TYR A 1 152 ? -26.741 -21.178 -12.560 1.00 11.10 ? 158 TYR B CD1 1 
ATOM   1309 C CD2 . TYR A 1 152 ? -26.001 -20.864 -14.785 1.00 10.40 ? 158 TYR B CD2 1 
ATOM   1310 C CE1 . TYR A 1 152 ? -27.150 -22.458 -12.874 1.00 11.14 ? 158 TYR B CE1 1 
ATOM   1311 C CE2 . TYR A 1 152 ? -26.441 -22.136 -15.112 1.00 11.10 ? 158 TYR B CE2 1 
ATOM   1312 C CZ  . TYR A 1 152 ? -26.992 -22.949 -14.155 1.00 10.87 ? 158 TYR B CZ  1 
ATOM   1313 O OH  . TYR A 1 152 ? -27.395 -24.240 -14.397 1.00 13.95 ? 158 TYR B OH  1 
ATOM   1314 N N   . THR A 1 153 ? -22.896 -20.737 -13.594 1.00 11.35 ? 159 THR B N   1 
ATOM   1315 C CA  . THR A 1 153 ? -22.052 -21.351 -14.646 1.00 11.61 ? 159 THR B CA  1 
ATOM   1316 C C   . THR A 1 153 ? -22.851 -22.432 -15.331 1.00 10.89 ? 159 THR B C   1 
ATOM   1317 O O   . THR A 1 153 ? -23.214 -23.459 -14.741 1.00 12.56 ? 159 THR B O   1 
ATOM   1318 C CB  . THR A 1 153 ? -20.709 -21.884 -14.104 1.00 12.18 ? 159 THR B CB  1 
ATOM   1319 O OG1 . THR A 1 153 ? -19.923 -20.764 -13.716 1.00 12.64 ? 159 THR B OG1 1 
ATOM   1320 C CG2 . THR A 1 153 ? -19.945 -22.695 -15.143 1.00 13.19 ? 159 THR B CG2 1 
ATOM   1321 N N   . PHE A 1 154 ? -23.053 -22.259 -16.650 1.00 11.12 ? 160 PHE B N   1 
ATOM   1322 C CA  . PHE A 1 154 ? -23.451 -23.362 -17.571 1.00 11.81 ? 160 PHE B CA  1 
ATOM   1323 C C   . PHE A 1 154 ? -22.154 -24.072 -18.012 1.00 11.42 ? 160 PHE B C   1 
ATOM   1324 O O   . PHE A 1 154 ? -21.280 -23.423 -18.593 1.00 11.35 ? 160 PHE B O   1 
ATOM   1325 C CB  . PHE A 1 154 ? -24.137 -22.855 -18.841 1.00 12.10 ? 160 PHE B CB  1 
ATOM   1326 C CG  . PHE A 1 154 ? -25.503 -22.262 -18.660 1.00 10.03 ? 160 PHE B CG  1 
ATOM   1327 C CD1 . PHE A 1 154 ? -25.656 -20.900 -18.415 1.00 9.85  ? 160 PHE B CD1 1 
ATOM   1328 C CD2 . PHE A 1 154 ? -26.642 -23.010 -18.891 1.00 10.09 ? 160 PHE B CD2 1 
ATOM   1329 C CE1 . PHE A 1 154 ? -26.940 -20.377 -18.333 1.00 10.64 ? 160 PHE B CE1 1 
ATOM   1330 C CE2 . PHE A 1 154 ? -27.920 -22.486 -18.802 1.00 10.59 ? 160 PHE B CE2 1 
ATOM   1331 C CZ  . PHE A 1 154 ? -28.052 -21.152 -18.554 1.00 10.15 ? 160 PHE B CZ  1 
ATOM   1332 N N   . SER A 1 155 ? -22.038 -25.360 -17.691 1.00 12.67 ? 161 SER B N   1 
ATOM   1333 C CA  . SER A 1 155 ? -20.881 -26.144 -18.158 1.00 13.87 ? 161 SER B CA  1 
ATOM   1334 C C   . SER A 1 155 ? -21.387 -27.294 -19.029 1.00 12.74 ? 161 SER B C   1 
ATOM   1335 O O   . SER A 1 155 ? -22.600 -27.565 -19.130 1.00 13.84 ? 161 SER B O   1 
ATOM   1336 C CB  . SER A 1 155 ? -20.051 -26.585 -16.985 1.00 16.04 ? 161 SER B CB  1 
ATOM   1337 O OG  . SER A 1 155 ? -20.749 -27.500 -16.193 1.00 18.03 ? 161 SER B OG  1 
ATOM   1338 N N   . GLU A 1 156 ? -20.441 -27.928 -19.733 1.00 15.20 ? 162 GLU B N   1 
ATOM   1339 C CA  . GLU A 1 156 ? -20.778 -29.016 -20.690 1.00 16.61 ? 162 GLU B CA  1 
ATOM   1340 C C   . GLU A 1 156 ? -21.738 -28.469 -21.757 1.00 14.98 ? 162 GLU B C   1 
ATOM   1341 O O   . GLU A 1 156 ? -22.687 -29.196 -22.197 1.00 16.59 ? 162 GLU B O   1 
ATOM   1342 C CB  . GLU A 1 156 ? -21.376 -30.239 -20.003 1.00 20.09 ? 162 GLU B CB  1 
ATOM   1343 C CG  . GLU A 1 156 ? -20.608 -30.686 -18.776 1.00 25.96 ? 162 GLU B CG  1 
ATOM   1344 C CD  . GLU A 1 156 ? -21.095 -32.025 -18.260 1.00 36.22 ? 162 GLU B CD  1 
ATOM   1345 O OE1 . GLU A 1 156 ? -22.292 -32.124 -17.833 1.00 38.07 ? 162 GLU B OE1 1 
ATOM   1346 O OE2 . GLU A 1 156 ? -20.302 -32.979 -18.350 1.00 46.54 ? 162 GLU B OE2 1 
ATOM   1347 N N   . CYS A 1 157 ? -21.536 -27.217 -22.138 1.00 14.50 ? 163 CYS B N   1 
ATOM   1348 C CA  . CYS A 1 157 ? -22.426 -26.597 -23.157 1.00 13.17 ? 163 CYS B CA  1 
ATOM   1349 C C   . CYS A 1 157 ? -22.167 -27.232 -24.538 1.00 14.68 ? 163 CYS B C   1 
ATOM   1350 O O   . CYS A 1 157 ? -20.963 -27.437 -24.907 1.00 15.55 ? 163 CYS B O   1 
ATOM   1351 C CB  . CYS A 1 157 ? -22.249 -25.094 -23.307 1.00 13.16 ? 163 CYS B CB  1 
ATOM   1352 S SG  . CYS A 1 157 ? -22.642 -24.166 -21.791 1.00 13.91 ? 163 CYS B SG  1 
ATOM   1353 N N   . VAL A 1 158 ? -23.238 -27.501 -25.272 1.00 13.39 ? 164 VAL B N   1 
ATOM   1354 C CA  . VAL A 1 158 ? -23.102 -27.996 -26.660 1.00 14.11 ? 164 VAL B CA  1 
ATOM   1355 C C   . VAL A 1 158 ? -23.559 -26.847 -27.572 1.00 12.76 ? 164 VAL B C   1 
ATOM   1356 O O   . VAL A 1 158 ? -24.719 -26.798 -27.967 1.00 15.23 ? 164 VAL B O   1 
ATOM   1357 C CB  . VAL A 1 158 ? -23.847 -29.331 -26.824 1.00 16.91 ? 164 VAL B CB  1 
ATOM   1358 C CG1 . VAL A 1 158 ? -23.675 -29.799 -28.273 1.00 17.09 ? 164 VAL B CG1 1 
ATOM   1359 C CG2 . VAL A 1 158 ? -23.349 -30.376 -25.821 1.00 17.04 ? 164 VAL B CG2 1 
ATOM   1360 N N   . PHE A 1 159 ? -22.675 -25.912 -27.894 1.00 12.47 ? 165 PHE B N   1 
ATOM   1361 C CA  . PHE A 1 159 ? -23.042 -24.694 -28.660 1.00 12.65 ? 165 PHE B CA  1 
ATOM   1362 C C   . PHE A 1 159 ? -23.590 -25.052 -30.039 1.00 14.43 ? 165 PHE B C   1 
ATOM   1363 O O   . PHE A 1 159 ? -24.597 -24.466 -30.451 1.00 14.32 ? 165 PHE B O   1 
ATOM   1364 C CB  . PHE A 1 159 ? -21.876 -23.725 -28.677 1.00 12.82 ? 165 PHE B CB  1 
ATOM   1365 C CG  . PHE A 1 159 ? -21.423 -23.244 -27.314 1.00 11.70 ? 165 PHE B CG  1 
ATOM   1366 C CD1 . PHE A 1 159 ? -22.347 -22.739 -26.408 1.00 11.78 ? 165 PHE B CD1 1 
ATOM   1367 C CD2 . PHE A 1 159 ? -20.077 -23.216 -26.977 1.00 13.68 ? 165 PHE B CD2 1 
ATOM   1368 C CE1 . PHE A 1 159 ? -21.930 -22.290 -25.155 1.00 12.08 ? 165 PHE B CE1 1 
ATOM   1369 C CE2 . PHE A 1 159 ? -19.659 -22.754 -25.738 1.00 13.63 ? 165 PHE B CE2 1 
ATOM   1370 C CZ  . PHE A 1 159 ? -20.583 -22.259 -24.850 1.00 13.14 ? 165 PHE B CZ  1 
ATOM   1371 N N   . ALA A 1 160 ? -22.922 -25.954 -30.734 1.00 13.90 ? 166 ALA B N   1 
ATOM   1372 C CA  . ALA A 1 160 ? -23.370 -26.510 -32.028 1.00 13.78 ? 166 ALA B CA  1 
ATOM   1373 C C   . ALA A 1 160 ? -23.495 -25.433 -33.118 1.00 14.35 ? 166 ALA B C   1 
ATOM   1374 O O   . ALA A 1 160 ? -24.293 -25.631 -34.070 1.00 15.08 ? 166 ALA B O   1 
ATOM   1375 C CB  . ALA A 1 160 ? -24.626 -27.306 -31.872 1.00 14.31 ? 166 ALA B CB  1 
ATOM   1376 N N   . GLY A 1 161 ? -22.737 -24.362 -33.020 1.00 14.75 ? 167 GLY B N   1 
ATOM   1377 C CA  . GLY A 1 161 ? -22.735 -23.292 -34.031 1.00 15.52 ? 167 GLY B CA  1 
ATOM   1378 C C   . GLY A 1 161 ? -22.028 -22.062 -33.524 1.00 13.89 ? 167 GLY B C   1 
ATOM   1379 O O   . GLY A 1 161 ? -21.650 -21.995 -32.336 1.00 13.27 ? 167 GLY B O   1 
ATOM   1380 N N   . PRO A 1 162 ? -21.934 -21.016 -34.340 1.00 12.76 ? 168 PRO B N   1 
ATOM   1381 C CA  . PRO A 1 162 ? -21.446 -19.721 -33.897 1.00 12.68 ? 168 PRO B CA  1 
ATOM   1382 C C   . PRO A 1 162 ? -22.397 -19.148 -32.834 1.00 13.15 ? 168 PRO B C   1 
ATOM   1383 O O   . PRO A 1 162 ? -23.619 -19.394 -32.890 1.00 13.57 ? 168 PRO B O   1 
ATOM   1384 C CB  . PRO A 1 162 ? -21.447 -18.827 -35.137 1.00 12.54 ? 168 PRO B CB  1 
ATOM   1385 C CG  . PRO A 1 162 ? -21.577 -19.809 -36.283 1.00 12.71 ? 168 PRO B CG  1 
ATOM   1386 C CD  . PRO A 1 162 ? -22.295 -21.014 -35.766 1.00 11.52 ? 168 PRO B CD  1 
ATOM   1387 N N   . LEU A 1 163 ? -21.815 -18.402 -31.906 1.00 13.04 ? 169 LEU B N   1 
ATOM   1388 C CA  . LEU A 1 163 ? -22.579 -17.747 -30.806 1.00 12.72 ? 169 LEU B CA  1 
ATOM   1389 C C   . LEU A 1 163 ? -22.705 -16.256 -31.063 1.00 12.81 ? 169 LEU B C   1 
ATOM   1390 O O   . LEU A 1 163 ? -21.760 -15.609 -31.544 1.00 13.80 ? 169 LEU B O   1 
ATOM   1391 C CB  . LEU A 1 163 ? -21.923 -17.995 -29.442 1.00 12.68 ? 169 LEU B CB  1 
ATOM   1392 C CG  . LEU A 1 163 ? -21.943 -19.427 -28.916 1.00 12.99 ? 169 LEU B CG  1 
ATOM   1393 C CD1 . LEU A 1 163 ? -21.135 -19.476 -27.637 1.00 13.47 ? 169 LEU B CD1 1 
ATOM   1394 C CD2 . LEU A 1 163 ? -23.367 -19.926 -28.706 1.00 12.99 ? 169 LEU B CD2 1 
ATOM   1395 N N   . ARG A 1 164 ? -23.843 -15.704 -30.657 1.00 11.98 ? 170 ARG B N   1 
ATOM   1396 C CA  . ARG A 1 164 ? -24.056 -14.244 -30.631 1.00 11.71 ? 170 ARG B CA  1 
ATOM   1397 C C   . ARG A 1 164 ? -24.475 -13.773 -29.238 1.00 10.90 ? 170 ARG B C   1 
ATOM   1398 O O   . ARG A 1 164 ? -25.251 -14.449 -28.583 1.00 11.55 ? 170 ARG B O   1 
ATOM   1399 C CB  . ARG A 1 164 ? -25.112 -13.867 -31.676 1.00 12.53 ? 170 ARG B CB  1 
ATOM   1400 C CG  . ARG A 1 164 ? -24.646 -14.221 -33.089 1.00 13.90 ? 170 ARG B CG  1 
ATOM   1401 C CD  . ARG A 1 164 ? -25.573 -13.818 -34.230 1.00 16.31 ? 170 ARG B CD  1 
ATOM   1402 N NE  . ARG A 1 164 ? -25.676 -12.379 -34.304 1.00 14.57 ? 170 ARG B NE  1 
ATOM   1403 C CZ  . ARG A 1 164 ? -26.389 -11.757 -35.233 1.00 15.59 ? 170 ARG B CZ  1 
ATOM   1404 N NH1 . ARG A 1 164 ? -26.989 -12.454 -36.170 1.00 16.21 ? 170 ARG B NH1 1 
ATOM   1405 N NH2 . ARG A 1 164 ? -26.464 -10.450 -35.237 1.00 15.02 ? 170 ARG B NH2 1 
ATOM   1406 N N   . PRO A 1 165 ? -24.049 -12.565 -28.834 1.00 11.10 ? 171 PRO B N   1 
ATOM   1407 C CA  . PRO A 1 165 ? -24.580 -11.972 -27.595 1.00 10.27 ? 171 PRO B CA  1 
ATOM   1408 C C   . PRO A 1 165 ? -26.108 -11.818 -27.747 1.00 10.14 ? 171 PRO B C   1 
ATOM   1409 O O   . PRO A 1 165 ? -26.601 -11.476 -28.819 1.00 11.28 ? 171 PRO B O   1 
ATOM   1410 C CB  . PRO A 1 165 ? -23.889 -10.623 -27.489 1.00 11.24 ? 171 PRO B CB  1 
ATOM   1411 C CG  . PRO A 1 165 ? -22.586 -10.784 -28.332 1.00 12.54 ? 171 PRO B CG  1 
ATOM   1412 C CD  . PRO A 1 165 ? -23.015 -11.717 -29.445 1.00 12.86 ? 171 PRO B CD  1 
ATOM   1413 N N   . PHE A 1 166 ? -26.839 -12.061 -26.664 1.00 9.73  ? 172 PHE B N   1 
ATOM   1414 C CA  . PHE A 1 166 ? -28.311 -12.110 -26.644 1.00 10.13 ? 172 PHE B CA  1 
ATOM   1415 C C   . PHE A 1 166 ? -28.831 -11.166 -25.558 1.00 9.08  ? 172 PHE B C   1 
ATOM   1416 O O   . PHE A 1 166 ? -28.343 -11.162 -24.405 1.00 9.81  ? 172 PHE B O   1 
ATOM   1417 C CB  . PHE A 1 166 ? -28.801 -13.534 -26.397 1.00 9.91  ? 172 PHE B CB  1 
ATOM   1418 C CG  . PHE A 1 166 ? -30.295 -13.637 -26.186 1.00 10.44 ? 172 PHE B CG  1 
ATOM   1419 C CD1 . PHE A 1 166 ? -31.148 -13.622 -27.279 1.00 11.34 ? 172 PHE B CD1 1 
ATOM   1420 C CD2 . PHE A 1 166 ? -30.850 -13.626 -24.908 1.00 11.05 ? 172 PHE B CD2 1 
ATOM   1421 C CE1 . PHE A 1 166 ? -32.533 -13.683 -27.090 1.00 11.10 ? 172 PHE B CE1 1 
ATOM   1422 C CE2 . PHE A 1 166 ? -32.232 -13.660 -24.732 1.00 10.81 ? 172 PHE B CE2 1 
ATOM   1423 C CZ  . PHE A 1 166 ? -33.057 -13.706 -25.820 1.00 11.46 ? 172 PHE B CZ  1 
ATOM   1424 N N   . PHE A 1 167 ? -29.912 -10.431 -25.885 1.00 10.24 ? 173 PHE B N   1 
ATOM   1425 C CA  . PHE A 1 167 ? -30.516 -9.391  -25.024 1.00 10.18 ? 173 PHE B CA  1 
ATOM   1426 C C   . PHE A 1 167 ? -32.028 -9.482  -25.094 1.00 10.32 ? 173 PHE B C   1 
ATOM   1427 O O   . PHE A 1 167 ? -32.556 -9.529  -26.213 1.00 11.48 ? 173 PHE B O   1 
ATOM   1428 C CB  . PHE A 1 167 ? -30.038 -7.975  -25.398 1.00 10.42 ? 173 PHE B CB  1 
ATOM   1429 C CG  . PHE A 1 167 ? -28.533 -7.825  -25.503 1.00 10.37 ? 173 PHE B CG  1 
ATOM   1430 C CD1 . PHE A 1 167 ? -27.896 -8.144  -26.692 1.00 10.01 ? 173 PHE B CD1 1 
ATOM   1431 C CD2 . PHE A 1 167 ? -27.762 -7.382  -24.431 1.00 11.63 ? 173 PHE B CD2 1 
ATOM   1432 C CE1 . PHE A 1 167 ? -26.502 -8.073  -26.811 1.00 11.15 ? 173 PHE B CE1 1 
ATOM   1433 C CE2 . PHE A 1 167 ? -26.382 -7.261  -24.567 1.00 12.08 ? 173 PHE B CE2 1 
ATOM   1434 C CZ  . PHE A 1 167 ? -25.759 -7.627  -25.749 1.00 12.02 ? 173 PHE B CZ  1 
ATOM   1435 N N   . ASN A 1 168 ? -32.690 -9.299  -23.968 1.00 10.64 ? 174 ASN B N   1 
ATOM   1436 C CA  . ASN A 1 168 ? -34.158 -9.043  -23.923 1.00 10.21 ? 174 ASN B CA  1 
ATOM   1437 C C   . ASN A 1 168 ? -34.361 -7.909  -22.934 1.00 10.21 ? 174 ASN B C   1 
ATOM   1438 O O   . ASN A 1 168 ? -34.040 -8.079  -21.748 1.00 10.90 ? 174 ASN B O   1 
ATOM   1439 C CB  . ASN A 1 168 ? -34.944 -10.279 -23.507 1.00 10.24 ? 174 ASN B CB  1 
ATOM   1440 C CG  . ASN A 1 168 ? -36.442 -10.105 -23.567 1.00 12.22 ? 174 ASN B CG  1 
ATOM   1441 O OD1 . ASN A 1 168 ? -36.932 -9.027  -23.862 1.00 12.97 ? 174 ASN B OD1 1 
ATOM   1442 N ND2 . ASN A 1 168 ? -37.143 -11.168 -23.282 1.00 14.58 ? 174 ASN B ND2 1 
ATOM   1443 N N   . VAL A 1 169 ? -34.895 -6.759  -23.392 1.00 10.49 ? 175 VAL B N   1 
ATOM   1444 C CA  . VAL A 1 169 ? -35.137 -5.607  -22.484 1.00 11.38 ? 175 VAL B CA  1 
ATOM   1445 C C   . VAL A 1 169 ? -36.381 -5.855  -21.607 1.00 11.70 ? 175 VAL B C   1 
ATOM   1446 O O   . VAL A 1 169 ? -36.625 -5.043  -20.689 1.00 11.98 ? 175 VAL B O   1 
ATOM   1447 C CB  . VAL A 1 169 ? -35.255 -4.256  -23.231 1.00 12.38 ? 175 VAL B CB  1 
ATOM   1448 C CG1 . VAL A 1 169 ? -33.976 -3.911  -23.930 1.00 12.69 ? 175 VAL B CG1 1 
ATOM   1449 C CG2 . VAL A 1 169 ? -36.449 -4.219  -24.193 1.00 13.48 ? 175 VAL B CG2 1 
ATOM   1450 N N   . GLY A 1 170 ? -37.168 -6.866  -21.948 1.00 11.60 ? 176 GLY B N   1 
ATOM   1451 C CA  . GLY A 1 170 ? -38.437 -7.145  -21.259 1.00 12.25 ? 176 GLY B CA  1 
ATOM   1452 C C   . GLY A 1 170 ? -39.565 -6.227  -21.641 1.00 11.72 ? 176 GLY B C   1 
ATOM   1453 O O   . GLY A 1 170 ? -39.363 -5.140  -22.230 1.00 11.54 ? 176 GLY B O   1 
ATOM   1454 N N   . PHE A 1 171 ? -40.777 -6.684  -21.313 0.40 12.36 ? 177 PHE B N   1 
ATOM   1455 C CA  . PHE A 1 171 ? -42.057 -5.953  -21.490 0.40 12.20 ? 177 PHE B CA  1 
ATOM   1456 C C   . PHE A 1 171 ? -42.143 -4.817  -20.466 0.40 11.98 ? 177 PHE B C   1 
ATOM   1457 O O   . PHE A 1 171 ? -41.520 -4.924  -19.382 0.40 10.74 ? 177 PHE B O   1 
ATOM   1458 C CB  . PHE A 1 171 ? -43.235 -6.920  -21.350 0.40 12.47 ? 177 PHE B CB  1 
ATOM   1459 C CG  . PHE A 1 171 ? -43.311 -7.999  -22.403 0.40 13.13 ? 177 PHE B CG  1 
ATOM   1460 C CD1 . PHE A 1 171 ? -43.535 -7.671  -23.728 0.40 13.19 ? 177 PHE B CD1 1 
ATOM   1461 C CD2 . PHE A 1 171 ? -43.178 -9.342  -22.081 0.40 13.63 ? 177 PHE B CD2 1 
ATOM   1462 C CE1 . PHE A 1 171 ? -43.635 -8.650  -24.702 0.40 13.11 ? 177 PHE B CE1 1 
ATOM   1463 C CE2 . PHE A 1 171 ? -43.261 -10.320 -23.062 0.40 13.59 ? 177 PHE B CE2 1 
ATOM   1464 C CZ  . PHE A 1 171 ? -43.491 -9.972  -24.376 0.40 13.16 ? 177 PHE B CZ  1 
ATOM   1465 N N   . ASN A 1 172 ? -42.934 -3.782  -20.772 1.00 12.04 ? 178 ASN B N   1 
ATOM   1466 C CA  . ASN A 1 172 ? -43.112 -2.654  -19.832 1.00 11.18 ? 178 ASN B CA  1 
ATOM   1467 C C   . ASN A 1 172 ? -44.604 -2.438  -19.563 1.00 11.70 ? 178 ASN B C   1 
ATOM   1468 O O   . ASN A 1 172 ? -45.079 -1.295  -19.632 1.00 13.03 ? 178 ASN B O   1 
ATOM   1469 C CB  . ASN A 1 172 ? -42.430 -1.393  -20.318 1.00 12.29 ? 178 ASN B CB  1 
ATOM   1470 C CG  . ASN A 1 172 ? -42.455 -0.280  -19.314 1.00 12.58 ? 178 ASN B CG  1 
ATOM   1471 O OD1 . ASN A 1 172 ? -42.463 -0.502  -18.111 1.00 12.59 ? 178 ASN B OD1 1 
ATOM   1472 N ND2 . ASN A 1 172 ? -42.414 0.964   -19.789 1.00 15.03 ? 178 ASN B ND2 1 
ATOM   1473 N N   . TYR A 1 173 ? -45.329 -3.496  -19.205 0.40 12.03 ? 179 TYR B N   1 
ATOM   1474 C CA  . TYR A 1 173 ? -46.776 -3.407  -18.854 0.40 11.58 ? 179 TYR B CA  1 
ATOM   1475 C C   . TYR A 1 173 ? -46.970 -2.675  -17.521 0.40 12.23 ? 179 TYR B C   1 
ATOM   1476 O O   . TYR A 1 173 ? -48.096 -2.194  -17.254 0.40 12.31 ? 179 TYR B O   1 
ATOM   1477 C CB  . TYR A 1 173 ? -47.420 -4.791  -18.756 0.40 11.80 ? 179 TYR B CB  1 
ATOM   1478 C CG  . TYR A 1 173 ? -47.568 -5.525  -20.062 0.40 12.34 ? 179 TYR B CG  1 
ATOM   1479 C CD1 . TYR A 1 173 ? -48.532 -5.162  -20.993 0.40 12.63 ? 179 TYR B CD1 1 
ATOM   1480 C CD2 . TYR A 1 173 ? -46.734 -6.586  -20.363 0.40 12.62 ? 179 TYR B CD2 1 
ATOM   1481 C CE1 . TYR A 1 173 ? -48.643 -5.828  -22.205 0.40 12.41 ? 179 TYR B CE1 1 
ATOM   1482 C CE2 . TYR A 1 173 ? -46.834 -7.266  -21.564 0.40 12.19 ? 179 TYR B CE2 1 
ATOM   1483 C CZ  . TYR A 1 173 ? -47.795 -6.892  -22.482 0.40 12.80 ? 179 TYR B CZ  1 
ATOM   1484 O OH  . TYR A 1 173 ? -47.885 -7.588  -23.651 0.40 13.05 ? 179 TYR B OH  1 
ATOM   1485 N N   . SER A 1 174 ? -45.944 -2.634  -16.667 1.00 12.21 ? 180 SER B N   1 
ATOM   1486 C CA  . SER A 1 174 ? -46.024 -2.013  -15.321 1.00 13.24 ? 180 SER B CA  1 
ATOM   1487 C C   . SER A 1 174 ? -45.723 -0.522  -15.355 1.00 14.22 ? 180 SER B C   1 
ATOM   1488 O O   . SER A 1 174 ? -46.038 0.156   -14.350 1.00 14.52 ? 180 SER B O   1 
ATOM   1489 C CB  . SER A 1 174 ? -45.086 -2.647  -14.345 1.00 13.50 ? 180 SER B CB  1 
ATOM   1490 O OG  . SER A 1 174 ? -43.733 -2.431  -14.751 1.00 13.82 ? 180 SER B OG  1 
ATOM   1491 N N   . GLY A 1 175 ? -45.071 -0.036  -16.401 1.00 13.44 ? 181 GLY B N   1 
ATOM   1492 C CA  . GLY A 1 175 ? -44.545 1.335   -16.390 1.00 13.37 ? 181 GLY B CA  1 
ATOM   1493 C C   . GLY A 1 175 ? -43.285 1.474   -15.554 1.00 15.04 ? 181 GLY B C   1 
ATOM   1494 O O   . GLY A 1 175 ? -42.797 2.607   -15.423 1.00 18.29 ? 181 GLY B O   1 
ATOM   1495 N N   . GLY A 1 176 ? -42.767 0.395   -14.974 1.00 14.18 ? 182 GLY B N   1 
ATOM   1496 C CA  . GLY A 1 176 ? -41.535 0.431   -14.165 1.00 13.58 ? 182 GLY B CA  1 
ATOM   1497 C C   . GLY A 1 176 ? -40.340 -0.229  -14.849 1.00 13.89 ? 182 GLY B C   1 
ATOM   1498 O O   . GLY A 1 176 ? -39.288 -0.285  -14.180 1.00 15.00 ? 182 GLY B O   1 
ATOM   1499 N N   . ASN A 1 177 ? -40.451 -0.634  -16.118 1.00 11.66 ? 183 ASN B N   1 
ATOM   1500 C CA  . ASN A 1 177 ? -39.337 -1.332  -16.794 1.00 11.43 ? 183 ASN B CA  1 
ATOM   1501 C C   . ASN A 1 177 ? -38.883 -0.634  -18.078 1.00 11.98 ? 183 ASN B C   1 
ATOM   1502 O O   . ASN A 1 177 ? -38.352 -1.293  -18.969 1.00 13.17 ? 183 ASN B O   1 
ATOM   1503 C CB  . ASN A 1 177 ? -39.727 -2.775  -17.112 1.00 11.54 ? 183 ASN B CB  1 
ATOM   1504 C CG  . ASN A 1 177 ? -38.516 -3.628  -17.415 1.00 11.90 ? 183 ASN B CG  1 
ATOM   1505 O OD1 . ASN A 1 177 ? -37.475 -3.453  -16.795 1.00 12.90 ? 183 ASN B OD1 1 
ATOM   1506 N ND2 . ASN A 1 177 ? -38.694 -4.553  -18.344 1.00 11.88 ? 183 ASN B ND2 1 
ATOM   1507 N N   . ALA A 1 178 ? -38.992 0.682   -18.165 1.00 12.54 ? 184 ALA B N   1 
ATOM   1508 C CA  . ALA A 1 178 ? -38.604 1.436   -19.387 1.00 12.59 ? 184 ALA B CA  1 
ATOM   1509 C C   . ALA A 1 178 ? -37.090 1.565   -19.537 1.00 12.07 ? 184 ALA B C   1 
ATOM   1510 O O   . ALA A 1 178 ? -36.658 1.840   -20.668 1.00 14.37 ? 184 ALA B O   1 
ATOM   1511 C CB  . ALA A 1 178 ? -39.204 2.841   -19.377 1.00 13.43 ? 184 ALA B CB  1 
ATOM   1512 N N   . ALA A 1 179 ? -36.331 1.424   -18.445 1.00 11.91 ? 185 ALA B N   1 
ATOM   1513 C CA  . ALA A 1 179 ? -34.881 1.694   -18.499 1.00 12.18 ? 185 ALA B CA  1 
ATOM   1514 C C   . ALA A 1 179 ? -34.204 0.827   -19.561 1.00 12.66 ? 185 ALA B C   1 
ATOM   1515 O O   . ALA A 1 179 ? -34.577 -0.319  -19.798 1.00 12.09 ? 185 ALA B O   1 
ATOM   1516 C CB  . ALA A 1 179 ? -34.273 1.547   -17.142 1.00 12.97 ? 185 ALA B CB  1 
ATOM   1517 N N   . PRO A 1 180 ? -33.108 1.330   -20.157 1.00 13.06 ? 186 PRO B N   1 
ATOM   1518 C CA  . PRO A 1 180 ? -32.364 0.563   -21.155 1.00 13.00 ? 186 PRO B CA  1 
ATOM   1519 C C   . PRO A 1 180 ? -31.449 -0.545  -20.583 1.00 11.60 ? 186 PRO B C   1 
ATOM   1520 O O   . PRO A 1 180 ? -31.118 -0.533  -19.400 1.00 12.39 ? 186 PRO B O   1 
ATOM   1521 C CB  . PRO A 1 180 ? -31.449 1.642   -21.774 1.00 14.55 ? 186 PRO B CB  1 
ATOM   1522 C CG  . PRO A 1 180 ? -31.201 2.593   -20.656 1.00 15.46 ? 186 PRO B CG  1 
ATOM   1523 C CD  . PRO A 1 180 ? -32.536 2.661   -19.919 1.00 15.21 ? 186 PRO B CD  1 
ATOM   1524 N N   . LEU A 1 181 ? -31.057 -1.485  -21.448 1.00 12.27 ? 187 LEU B N   1 
ATOM   1525 C CA  . LEU A 1 181 ? -29.825 -2.284  -21.307 1.00 12.29 ? 187 LEU B CA  1 
ATOM   1526 C C   . LEU A 1 181 ? -28.698 -1.464  -21.939 1.00 13.15 ? 187 LEU B C   1 
ATOM   1527 O O   . LEU A 1 181 ? -28.898 -0.980  -23.082 1.00 14.95 ? 187 LEU B O   1 
ATOM   1528 C CB  . LEU A 1 181 ? -29.987 -3.657  -21.952 1.00 12.59 ? 187 LEU B CB  1 
ATOM   1529 C CG  . LEU A 1 181 ? -31.026 -4.616  -21.331 1.00 13.26 ? 187 LEU B CG  1 
ATOM   1530 C CD1 . LEU A 1 181 ? -31.174 -5.892  -22.158 1.00 14.37 ? 187 LEU B CD1 1 
ATOM   1531 C CD2 . LEU A 1 181 ? -30.664 -4.961  -19.893 1.00 14.28 ? 187 LEU B CD2 1 
ATOM   1532 N N   . LYS A 1 182 ? -27.541 -1.386  -21.305 1.00 12.89 ? 188 LYS B N   1 
ATOM   1533 C CA  . LYS A 1 182 ? -26.391 -0.629  -21.846 1.00 13.71 ? 188 LYS B CA  1 
ATOM   1534 C C   . LYS A 1 182 ? -25.167 -1.533  -21.818 1.00 14.04 ? 188 LYS B C   1 
ATOM   1535 O O   . LYS A 1 182 ? -24.835 -2.077  -20.746 1.00 14.64 ? 188 LYS B O   1 
ATOM   1536 C CB  . LYS A 1 182 ? -26.108 0.642   -21.046 1.00 15.95 ? 188 LYS B CB  1 
ATOM   1537 C CG  . LYS A 1 182 ? -27.275 1.595   -20.849 1.00 19.69 ? 188 LYS B CG  1 
ATOM   1538 C CD  . LYS A 1 182 ? -26.816 2.909   -20.224 1.00 24.05 ? 188 LYS B CD  1 
ATOM   1539 C CE  . LYS A 1 182 ? -27.940 3.831   -19.816 1.00 29.19 ? 188 LYS B CE  1 
ATOM   1540 N NZ  . LYS A 1 182 ? -27.409 4.953   -18.995 1.00 33.69 ? 188 LYS B NZ  1 
ATOM   1541 N N   . LEU A 1 183 ? -24.444 -1.576  -22.909 1.00 14.42 ? 189 LEU B N   1 
ATOM   1542 C CA  . LEU A 1 183 ? -23.110 -2.225  -22.903 1.00 14.36 ? 189 LEU B CA  1 
ATOM   1543 C C   . LEU A 1 183 ? -22.113 -1.262  -22.257 1.00 15.79 ? 189 LEU B C   1 
ATOM   1544 O O   . LEU A 1 183 ? -21.962 -0.098  -22.755 1.00 19.70 ? 189 LEU B O   1 
ATOM   1545 C CB  . LEU A 1 183 ? -22.766 -2.604  -24.333 1.00 15.95 ? 189 LEU B CB  1 
ATOM   1546 C CG  . LEU A 1 183 ? -23.530 -3.855  -24.782 1.00 17.46 ? 189 LEU B CG  1 
ATOM   1547 C CD1 . LEU A 1 183 ? -23.728 -3.943  -26.291 1.00 21.38 ? 189 LEU B CD1 1 
ATOM   1548 C CD2 . LEU A 1 183 ? -22.853 -5.124  -24.244 1.00 15.64 ? 189 LEU B CD2 1 
ATOM   1549 N N   . CYS A 1 184 ? -21.485 -1.708  -21.174 1.00 17.12 ? 190 CYS B N   1 
ATOM   1550 C CA  . CYS A 1 184 ? -20.588 -0.864  -20.342 1.00 20.10 ? 190 CYS B CA  1 
ATOM   1551 C C   . CYS A 1 184 ? -19.218 -0.776  -20.982 1.00 22.68 ? 190 CYS B C   1 
ATOM   1552 O O   . CYS A 1 184 ? -18.739 -1.723  -21.569 1.00 22.60 ? 190 CYS B O   1 
ATOM   1553 C CB  . CYS A 1 184 ? -20.275 -1.460  -18.980 1.00 21.83 ? 190 CYS B CB  1 
ATOM   1554 S SG  . CYS A 1 184 ? -21.684 -2.082  -18.067 1.00 22.81 ? 190 CYS B SG  1 
ATOM   1555 N N   . PRO A 1 185 ? -18.538 0.372   -20.820 1.00 28.39 ? 191 PRO B N   1 
ATOM   1556 C CA  . PRO A 1 185 ? -17.233 0.578   -21.419 1.00 34.23 ? 191 PRO B CA  1 
ATOM   1557 C C   . PRO A 1 185 ? -16.229 -0.350  -20.737 1.00 32.94 ? 191 PRO B C   1 
ATOM   1558 O O   . PRO A 1 185 ? -16.418 -0.669  -19.561 1.00 32.05 ? 191 PRO B O   1 
ATOM   1559 C CB  . PRO A 1 185 ? -16.956 2.081   -21.197 1.00 32.78 ? 191 PRO B CB  1 
ATOM   1560 C CG  . PRO A 1 185 ? -17.850 2.487   -20.043 1.00 31.59 ? 191 PRO B CG  1 
ATOM   1561 C CD  . PRO A 1 185 ? -19.037 1.551   -20.096 1.00 30.23 ? 191 PRO B CD  1 
ATOM   1562 N N   . LEU A 1 186 ? -15.234 -0.751  -21.526 1.00 38.82 ? 192 LEU B N   1 
ATOM   1563 C CA  . LEU A 1 186 ? -13.998 -1.494  -21.161 1.00 41.74 ? 192 LEU B CA  1 
ATOM   1564 C C   . LEU A 1 186 ? -13.132 -0.636  -20.237 1.00 45.57 ? 192 LEU B C   1 
ATOM   1565 O O   . LEU A 1 186 ? -12.254 -1.215  -19.589 1.00 52.64 ? 192 LEU B O   1 
ATOM   1566 C CB  . LEU A 1 186 ? -13.251 -1.818  -22.461 1.00 40.13 ? 192 LEU B CB  1 
HETATM 1567 N N1  . S7G B 2 .   ? -46.613 -6.276  -27.295 0.40 15.42 ? 201 S7G B N1  1 
HETATM 1568 C C4  . S7G B 2 .   ? -45.326 -6.536  -27.700 0.40 15.37 ? 201 S7G B C4  1 
HETATM 1569 C C5  . S7G B 2 .   ? -45.074 -7.592  -28.589 0.40 15.54 ? 201 S7G B C5  1 
HETATM 1570 C C6  . S7G B 2 .   ? -43.777 -7.857  -28.984 0.40 15.90 ? 201 S7G B C6  1 
HETATM 1571 C C7  . S7G B 2 .   ? -42.723 -7.110  -28.498 0.40 16.18 ? 201 S7G B C7  1 
HETATM 1572 C C8  . S7G B 2 .   ? -42.971 -6.090  -27.596 0.40 15.92 ? 201 S7G B C8  1 
HETATM 1573 C C10 . S7G B 2 .   ? -44.534 -4.676  -26.202 0.40 15.24 ? 201 S7G B C10 1 
HETATM 1574 N N   . S7G B 2 .   ? -46.116 -3.658  -24.655 0.40 14.26 ? 201 S7G B N   1 
HETATM 1575 C C   . S7G B 2 .   ? -46.055 -2.207  -22.735 0.40 13.58 ? 201 S7G B C   1 
HETATM 1576 O O   . S7G B 2 .   ? -44.576 -4.060  -23.067 0.40 12.56 ? 201 S7G B O   1 
HETATM 1577 C C1  . S7G B 2 .   ? -45.516 -3.386  -23.491 0.40 13.03 ? 201 S7G B C1  1 
HETATM 1578 C C2  . S7G B 2 .   ? -45.828 -4.844  -25.453 0.40 14.46 ? 201 S7G B C2  1 
HETATM 1579 C C3  . S7G B 2 .   ? -46.954 -5.142  -26.453 0.40 15.29 ? 201 S7G B C3  1 
HETATM 1580 C C9  . S7G B 2 .   ? -44.267 -5.788  -27.175 0.40 15.64 ? 201 S7G B C9  1 
HETATM 1581 C C1  . EDO C 3 .   ? -50.548 -17.133 -33.266 1.00 37.87 ? 202 EDO B C1  1 
HETATM 1582 O O1  . EDO C 3 .   ? -49.257 -16.557 -33.243 1.00 31.14 ? 202 EDO B O1  1 
HETATM 1583 C C2  . EDO C 3 .   ? -51.111 -17.251 -31.922 1.00 36.67 ? 202 EDO B C2  1 
HETATM 1584 O O2  . EDO C 3 .   ? -51.435 -15.972 -31.448 1.00 46.86 ? 202 EDO B O2  1 
HETATM 1585 S S   . SO4 D 4 .   ? -40.549 -24.592 -26.316 1.00 41.56 ? 203 SO4 B S   1 
HETATM 1586 O O1  . SO4 D 4 .   ? -39.805 -23.612 -27.076 1.00 25.41 ? 203 SO4 B O1  1 
HETATM 1587 O O2  . SO4 D 4 .   ? -41.512 -25.211 -27.178 1.00 44.53 ? 203 SO4 B O2  1 
HETATM 1588 O O3  . SO4 D 4 .   ? -39.629 -25.583 -25.780 1.00 46.94 ? 203 SO4 B O3  1 
HETATM 1589 O O4  . SO4 D 4 .   ? -41.258 -23.975 -25.215 1.00 41.93 ? 203 SO4 B O4  1 
HETATM 1590 O O   . HOH E 5 .   ? -45.165 7.410   -24.548 1.00 44.76 ? 301 HOH B O   1 
HETATM 1591 O O   . HOH E 5 .   ? -22.729 -1.834  -9.802  1.00 27.23 ? 302 HOH B O   1 
HETATM 1592 O O   . HOH E 5 .   ? -45.816 3.719   -34.206 1.00 21.96 ? 303 HOH B O   1 
HETATM 1593 O O   . HOH E 5 .   ? -33.017 1.080   -33.576 1.00 21.96 ? 304 HOH B O   1 
HETATM 1594 O O   . HOH E 5 .   ? -26.965 -28.482 -27.946 1.00 18.86 ? 305 HOH B O   1 
HETATM 1595 O O   . HOH E 5 .   ? -42.803 1.221   -22.907 1.00 36.19 ? 306 HOH B O   1 
HETATM 1596 O O   . HOH E 5 .   ? -29.734 -12.498 -37.862 1.00 22.50 ? 307 HOH B O   1 
HETATM 1597 O O   . HOH E 5 .   ? -40.118 -1.126  -9.775  1.00 30.88 ? 308 HOH B O   1 
HETATM 1598 O O   . HOH E 5 .   ? -13.532 -23.561 -31.712 1.00 16.47 ? 309 HOH B O   1 
HETATM 1599 O O   . HOH E 5 .   ? -18.755 -21.978 -35.913 1.00 16.39 ? 310 HOH B O   1 
HETATM 1600 O O   . HOH E 5 .   ? -24.564 -30.946 -22.114 1.00 36.93 ? 311 HOH B O   1 
HETATM 1601 O O   . HOH E 5 .   ? -37.039 -16.357 -39.394 1.00 26.89 ? 312 HOH B O   1 
HETATM 1602 O O   . HOH E 5 .   ? -15.670 -5.401  -13.747 1.00 29.59 ? 313 HOH B O   1 
HETATM 1603 O O   . HOH E 5 .   ? -36.333 5.372   -15.788 1.00 27.68 ? 314 HOH B O   1 
HETATM 1604 O O   . HOH E 5 .   ? -35.920 -22.631 -19.731 1.00 24.71 ? 315 HOH B O   1 
HETATM 1605 O O   . HOH E 5 .   ? -36.836 -25.813 -23.824 1.00 35.13 ? 316 HOH B O   1 
HETATM 1606 O O   . HOH E 5 .   ? -38.032 2.831   -22.712 1.00 19.70 ? 317 HOH B O   1 
HETATM 1607 O O   . HOH E 5 .   ? -47.252 -16.997 -31.639 1.00 21.74 ? 318 HOH B O   1 
HETATM 1608 O O   . HOH E 5 .   ? -38.242 0.481   -11.918 1.00 37.15 ? 319 HOH B O   1 
HETATM 1609 O O   . HOH E 5 .   ? -26.195 -22.576 -36.342 1.00 30.09 ? 320 HOH B O   1 
HETATM 1610 O O   . HOH E 5 .   ? -45.450 0.127   -11.793 1.00 31.79 ? 321 HOH B O   1 
HETATM 1611 O O   . HOH E 5 .   ? -19.432 -29.693 -15.583 1.00 26.22 ? 322 HOH B O   1 
HETATM 1612 O O   . HOH E 5 .   ? -9.026  -13.473 -25.302 1.00 33.77 ? 323 HOH B O   1 
HETATM 1613 O O   . HOH E 5 .   ? -30.872 -6.749  -11.369 1.00 16.34 ? 324 HOH B O   1 
HETATM 1614 O O   . HOH E 5 .   ? -26.359 3.388   -35.407 1.00 31.13 ? 325 HOH B O   1 
HETATM 1615 O O   . HOH E 5 .   ? -38.199 3.809   -41.856 1.00 30.02 ? 326 HOH B O   1 
HETATM 1616 O O   . HOH E 5 .   ? -41.167 -8.078  -3.684  1.00 44.67 ? 327 HOH B O   1 
HETATM 1617 O O   . HOH E 5 .   ? -35.851 -19.229 -30.538 1.00 30.97 ? 328 HOH B O   1 
HETATM 1618 O O   . HOH E 5 .   ? -12.791 -21.468 -18.805 1.00 28.75 ? 329 HOH B O   1 
HETATM 1619 O O   . HOH E 5 .   ? -17.599 -21.381 -12.538 1.00 17.43 ? 330 HOH B O   1 
HETATM 1620 O O   . HOH E 5 .   ? -35.414 -17.191 -8.173  1.00 40.27 ? 331 HOH B O   1 
HETATM 1621 O O   . HOH E 5 .   ? -37.409 -25.369 -11.355 1.00 38.17 ? 332 HOH B O   1 
HETATM 1622 O O   . HOH E 5 .   ? -45.106 -7.887  -39.059 1.00 16.88 ? 333 HOH B O   1 
HETATM 1623 O O   . HOH E 5 .   ? -21.331 -6.091  -2.088  1.00 40.39 ? 334 HOH B O   1 
HETATM 1624 O O   . HOH E 5 .   ? -47.347 1.525   -25.594 1.00 30.81 ? 335 HOH B O   1 
HETATM 1625 O O   . HOH E 5 .   ? -36.594 -23.020 -30.903 1.00 37.27 ? 336 HOH B O   1 
HETATM 1626 O O   . HOH E 5 .   ? -34.149 -22.057 -31.486 1.00 18.83 ? 337 HOH B O   1 
HETATM 1627 O O   . HOH E 5 .   ? -9.603  -20.779 -29.022 1.00 40.12 ? 338 HOH B O   1 
HETATM 1628 O O   . HOH E 5 .   ? -9.528  -18.528 -30.290 1.00 48.41 ? 339 HOH B O   1 
HETATM 1629 O O   . HOH E 5 .   ? -30.881 -20.359 -21.404 1.00 12.05 ? 340 HOH B O   1 
HETATM 1630 O O   . HOH E 5 .   ? -33.871 -21.852 -36.740 1.00 39.96 ? 341 HOH B O   1 
HETATM 1631 O O   . HOH E 5 .   ? -38.779 -2.547  -21.354 1.00 15.50 ? 342 HOH B O   1 
HETATM 1632 O O   . HOH E 5 .   ? -32.400 4.788   -32.997 1.00 22.36 ? 343 HOH B O   1 
HETATM 1633 O O   . HOH E 5 .   ? -18.575 -4.624  -24.809 1.00 18.24 ? 344 HOH B O   1 
HETATM 1634 O O   . HOH E 5 .   ? -38.553 -7.653  -10.771 1.00 16.15 ? 345 HOH B O   1 
HETATM 1635 O O   . HOH E 5 .   ? -32.948 -18.122 -37.327 1.00 28.69 ? 346 HOH B O   1 
HETATM 1636 O O   . HOH E 5 .   ? -26.501 -25.826 -16.440 1.00 16.37 ? 347 HOH B O   1 
HETATM 1637 O O   . HOH E 5 .   ? -27.203 -20.305 -7.031  1.00 16.58 ? 348 HOH B O   1 
HETATM 1638 O O   . HOH E 5 .   ? -38.633 -15.279 -11.793 1.00 34.85 ? 349 HOH B O   1 
HETATM 1639 O O   . HOH E 5 .   ? -28.408 -21.677 -9.022  1.00 18.14 ? 350 HOH B O   1 
HETATM 1640 O O   . HOH E 5 .   ? -19.939 1.816   -30.641 1.00 36.11 ? 351 HOH B O   1 
HETATM 1641 O O   . HOH E 5 .   ? -36.372 -1.826  -33.824 1.00 17.95 ? 352 HOH B O   1 
HETATM 1642 O O   . HOH E 5 .   ? -18.168 -4.432  -5.991  1.00 45.02 ? 353 HOH B O   1 
HETATM 1643 O O   . HOH E 5 .   ? -16.793 -5.660  -9.330  1.00 33.99 ? 354 HOH B O   1 
HETATM 1644 O O   . HOH E 5 .   ? -26.582 1.966   -11.090 1.00 26.33 ? 355 HOH B O   1 
HETATM 1645 O O   . HOH E 5 .   ? -38.100 -14.434 -21.363 1.00 36.01 ? 356 HOH B O   1 
HETATM 1646 O O   . HOH E 5 .   ? -17.996 -19.821 -37.615 1.00 25.97 ? 357 HOH B O   1 
HETATM 1647 O O   . HOH E 5 .   ? -49.838 -1.859  -19.370 1.00 30.19 ? 358 HOH B O   1 
HETATM 1648 O O   . HOH E 5 .   ? -19.455 -4.339  -22.130 1.00 16.02 ? 359 HOH B O   1 
HETATM 1649 O O   . HOH E 5 .   ? -10.854 -21.229 -25.172 1.00 33.67 ? 360 HOH B O   1 
HETATM 1650 O O   . HOH E 5 .   ? -35.870 -3.847  -10.098 1.00 43.36 ? 361 HOH B O   1 
HETATM 1651 O O   . HOH E 5 .   ? -26.742 -17.726 -7.812  1.00 16.85 ? 362 HOH B O   1 
HETATM 1652 O O   . HOH E 5 .   ? -23.381 4.385   -24.762 1.00 26.61 ? 363 HOH B O   1 
HETATM 1653 O O   . HOH E 5 .   ? -16.151 -19.586 -15.733 1.00 24.32 ? 364 HOH B O   1 
HETATM 1654 O O   . HOH E 5 .   ? -40.746 -14.476 -8.413  1.00 29.62 ? 365 HOH B O   1 
HETATM 1655 O O   . HOH E 5 .   ? -42.412 -3.924  -39.418 1.00 24.15 ? 366 HOH B O   1 
HETATM 1656 O O   . HOH E 5 .   ? -23.915 1.161   -10.778 1.00 31.96 ? 367 HOH B O   1 
HETATM 1657 O O   . HOH E 5 .   ? -10.339 -23.572 -21.837 1.00 29.98 ? 368 HOH B O   1 
HETATM 1658 O O   . HOH E 5 .   ? -42.565 -5.781  -12.182 1.00 22.37 ? 369 HOH B O   1 
HETATM 1659 O O   . HOH E 5 .   ? -17.576 -27.615 -19.666 1.00 18.59 ? 370 HOH B O   1 
HETATM 1660 O O   . HOH E 5 .   ? -23.284 2.319   -23.201 1.00 30.98 ? 371 HOH B O   1 
HETATM 1661 O O   . HOH E 5 .   ? -45.322 -12.466 -26.541 1.00 36.67 ? 372 HOH B O   1 
HETATM 1662 O O   . HOH E 5 .   ? -45.874 -14.660 -27.593 1.00 36.49 ? 373 HOH B O   1 
HETATM 1663 O O   . HOH E 5 .   ? -40.457 -14.392 -31.390 1.00 14.18 ? 374 HOH B O   1 
HETATM 1664 O O   . HOH E 5 .   ? -36.551 -0.977  -22.141 1.00 13.92 ? 375 HOH B O   1 
HETATM 1665 O O   . HOH E 5 .   ? -25.888 -14.251 -3.033  1.00 30.74 ? 376 HOH B O   1 
HETATM 1666 O O   . HOH E 5 .   ? -30.668 1.127   -17.073 1.00 26.23 ? 377 HOH B O   1 
HETATM 1667 O O   . HOH E 5 .   ? -41.127 -9.325  -36.647 1.00 27.64 ? 378 HOH B O   1 
HETATM 1668 O O   . HOH E 5 .   ? -13.675 -21.037 -35.315 1.00 31.66 ? 379 HOH B O   1 
HETATM 1669 O O   . HOH E 5 .   ? -30.317 -23.945 -34.182 1.00 21.92 ? 380 HOH B O   1 
HETATM 1670 O O   . HOH E 5 .   ? -20.949 -16.482 -5.578  1.00 16.66 ? 381 HOH B O   1 
HETATM 1671 O O   . HOH E 5 .   ? -37.067 0.841   -15.559 1.00 16.17 ? 382 HOH B O   1 
HETATM 1672 O O   . HOH E 5 .   ? -19.243 -29.277 -23.576 1.00 23.00 ? 383 HOH B O   1 
HETATM 1673 O O   . HOH E 5 .   ? -45.829 -19.688 -31.629 1.00 26.08 ? 384 HOH B O   1 
HETATM 1674 O O   . HOH E 5 .   ? -29.075 7.664   -30.370 1.00 30.30 ? 385 HOH B O   1 
HETATM 1675 O O   . HOH E 5 .   ? -32.330 -5.058  -13.002 1.00 13.76 ? 386 HOH B O   1 
HETATM 1676 O O   . HOH E 5 .   ? -24.112 -12.427 -6.595  1.00 19.12 ? 387 HOH B O   1 
HETATM 1677 O O   . HOH E 5 .   ? -41.363 -8.495  -13.325 1.00 21.22 ? 388 HOH B O   1 
HETATM 1678 O O   . HOH E 5 .   ? -23.895 -26.602 -15.867 1.00 23.28 ? 389 HOH B O   1 
HETATM 1679 O O   . HOH E 5 .   ? -25.761 -27.037 -23.953 1.00 17.25 ? 390 HOH B O   1 
HETATM 1680 O O   . HOH E 5 .   ? -33.625 -1.851  -38.378 1.00 27.72 ? 391 HOH B O   1 
HETATM 1681 O O   . HOH E 5 .   ? -33.398 -14.956 -7.028  1.00 20.63 ? 392 HOH B O   1 
HETATM 1682 O O   . HOH E 5 .   ? -25.386 -10.493 -23.653 1.00 13.51 ? 393 HOH B O   1 
HETATM 1683 O O   . HOH E 5 .   ? -14.519 -16.578 -33.123 1.00 31.19 ? 394 HOH B O   1 
HETATM 1684 O O   . HOH E 5 .   ? -18.460 -17.379 -36.530 1.00 26.58 ? 395 HOH B O   1 
HETATM 1685 O O   . HOH E 5 .   ? -15.133 -19.743 -37.723 1.00 27.58 ? 396 HOH B O   1 
HETATM 1686 O O   . HOH E 5 .   ? -13.328 -6.253  -29.247 1.00 31.59 ? 397 HOH B O   1 
HETATM 1687 O O   . HOH E 5 .   ? -35.706 -4.760  -42.311 1.00 25.88 ? 398 HOH B O   1 
HETATM 1688 O O   . HOH E 5 .   ? -25.034 -11.149 -4.168  1.00 23.61 ? 399 HOH B O   1 
HETATM 1689 O O   . HOH E 5 .   ? -24.935 -15.063 -6.910  1.00 16.56 ? 400 HOH B O   1 
HETATM 1690 O O   . HOH E 5 .   ? -31.537 3.419   -26.903 1.00 23.86 ? 401 HOH B O   1 
HETATM 1691 O O   . HOH E 5 .   ? -9.403  -15.981 -26.681 1.00 28.93 ? 402 HOH B O   1 
HETATM 1692 O O   . HOH E 5 .   ? -34.843 -9.104  -6.112  1.00 39.98 ? 403 HOH B O   1 
HETATM 1693 O O   . HOH E 5 .   ? -12.829 -18.357 -34.892 1.00 34.20 ? 404 HOH B O   1 
HETATM 1694 O O   . HOH E 5 .   ? -38.766 3.752   -13.491 1.00 34.31 ? 405 HOH B O   1 
HETATM 1695 O O   . HOH E 5 .   ? -41.185 -5.881  -38.012 1.00 35.23 ? 406 HOH B O   1 
HETATM 1696 O O   . HOH E 5 .   ? -30.829 -17.469 -42.800 1.00 35.46 ? 407 HOH B O   1 
HETATM 1697 O O   . HOH E 5 .   ? -40.583 -7.374  -34.675 1.00 23.45 ? 408 HOH B O   1 
HETATM 1698 O O   . HOH E 5 .   ? -15.952 -12.145 -5.809  1.00 46.08 ? 409 HOH B O   1 
HETATM 1699 O O   . HOH E 5 .   ? -18.088 -16.088 -6.212  1.00 22.08 ? 410 HOH B O   1 
HETATM 1700 O O   . HOH E 5 .   ? -42.552 -5.077  -43.728 1.00 23.18 ? 411 HOH B O   1 
HETATM 1701 O O   . HOH E 5 .   ? -31.112 3.997   -24.386 1.00 23.58 ? 412 HOH B O   1 
HETATM 1702 O O   . HOH E 5 .   ? -18.025 -11.173 -35.757 1.00 26.66 ? 413 HOH B O   1 
HETATM 1703 O O   . HOH E 5 .   ? -36.510 -0.257  -42.094 1.00 39.04 ? 414 HOH B O   1 
HETATM 1704 O O   . HOH E 5 .   ? -34.319 -7.202  -8.021  1.00 26.85 ? 415 HOH B O   1 
HETATM 1705 O O   . HOH E 5 .   ? -40.060 -11.699 -22.695 1.00 34.52 ? 416 HOH B O   1 
HETATM 1706 O O   . HOH E 5 .   ? -41.148 -8.878  -19.255 1.00 17.38 ? 417 HOH B O   1 
HETATM 1707 O O   . HOH E 5 .   ? -43.882 -0.444  -24.400 1.00 29.81 ? 418 HOH B O   1 
HETATM 1708 O O   . HOH E 5 .   ? -43.339 3.671   -18.750 1.00 22.29 ? 419 HOH B O   1 
HETATM 1709 O O   . HOH E 5 .   ? -16.164 -14.797 -8.676  1.00 30.76 ? 420 HOH B O   1 
HETATM 1710 O O   . HOH E 5 .   ? -52.514 -14.133 -29.273 1.00 42.88 ? 421 HOH B O   1 
HETATM 1711 O O   . HOH E 5 .   ? -25.294 7.043   -29.169 1.00 31.71 ? 422 HOH B O   1 
HETATM 1712 O O   . HOH E 5 .   ? -24.332 -4.174  -36.878 1.00 37.95 ? 423 HOH B O   1 
HETATM 1713 O O   . HOH E 5 .   ? -41.343 5.414   -28.581 1.00 27.30 ? 424 HOH B O   1 
HETATM 1714 O O   . HOH E 5 .   ? -19.973 2.293   -24.063 1.00 37.70 ? 425 HOH B O   1 
HETATM 1715 O O   . HOH E 5 .   ? -33.984 5.286   -17.704 1.00 35.73 ? 426 HOH B O   1 
HETATM 1716 O O   . HOH E 5 .   ? -41.153 6.649   -33.014 1.00 32.81 ? 427 HOH B O   1 
HETATM 1717 O O   . HOH E 5 .   ? -16.141 -7.536  -11.452 1.00 30.74 ? 428 HOH B O   1 
HETATM 1718 O O   . HOH E 5 .   ? -32.745 -23.572 -33.498 1.00 32.31 ? 429 HOH B O   1 
HETATM 1719 O O   . HOH E 5 .   ? -47.778 0.000   -32.750 0.50 28.59 ? 430 HOH B O   1 
HETATM 1720 O O   . HOH E 5 .   ? -36.692 -6.582  -8.977  1.00 27.39 ? 431 HOH B O   1 
HETATM 1721 O O   . HOH E 5 .   ? -26.131 -28.027 -21.574 1.00 41.26 ? 432 HOH B O   1 
HETATM 1722 O O   . HOH E 5 .   ? -27.689 -28.468 -25.304 1.00 29.77 ? 433 HOH B O   1 
HETATM 1723 O O   . HOH E 5 .   ? -8.419  -23.185 -30.202 1.00 28.89 ? 434 HOH B O   1 
HETATM 1724 O O   . HOH E 5 .   ? -21.898 6.970   -32.418 1.00 33.26 ? 435 HOH B O   1 
HETATM 1725 O O   . HOH E 5 .   ? -45.981 -4.285  -33.968 1.00 26.39 ? 436 HOH B O   1 
HETATM 1726 O O   . HOH E 5 .   ? -40.159 5.129   -21.944 1.00 34.17 ? 437 HOH B O   1 
HETATM 1727 O O   . HOH E 5 .   ? -41.690 -9.715  -43.857 1.00 42.82 ? 438 HOH B O   1 
HETATM 1728 O O   . HOH E 5 .   ? -38.820 -16.507 -40.898 1.00 39.02 ? 439 HOH B O   1 
HETATM 1729 O O   . HOH E 5 .   ? -22.724 3.382   -20.729 1.00 38.68 ? 440 HOH B O   1 
HETATM 1730 O O   . HOH E 5 .   ? -36.645 2.202   -43.064 1.00 42.20 ? 441 HOH B O   1 
HETATM 1731 O O   . HOH E 5 .   ? -15.912 -22.266 -14.661 1.00 29.28 ? 442 HOH B O   1 
HETATM 1732 O O   . HOH E 5 .   ? -28.290 -27.795 -16.862 1.00 25.08 ? 443 HOH B O   1 
HETATM 1733 O O   . HOH E 5 .   ? -26.411 -31.131 -24.032 1.00 28.71 ? 444 HOH B O   1 
HETATM 1734 O O   . HOH E 5 .   ? -16.122 -26.886 -17.328 1.00 33.69 ? 445 HOH B O   1 
HETATM 1735 O O   . HOH E 5 .   ? -42.234 -13.359 -22.270 1.00 36.78 ? 446 HOH B O   1 
# 
