data_7HMV
# 
_entry.id   7HMV 
# 
_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   7HMV         pdb_00007hmv 10.2210/pdb7hmv/pdb 
WWPDB D_1001407673 ?            ?                   
# 
_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                        7HMV 
_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 '(4-fluorophenoxy)acetic acid'       170.138   1   ?        ? ? ? 
3 non-polymer syn 1,2-ETHANEDIOL                       62.068    1   ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                        96.063    1   ?        ? ? ? 
5 water       nat water                                18.015    144 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;52 kDa Ro protein,52 kDa ribonucleoprotein autoantigen Ro/SS-A,Ro(SS-A),Sjoegren syndrome type A antigen,SS-A,Tripartite motif-containing protein 21
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_strand_id                 B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 '(4-fluorophenoxy)acetic acid' U2R 
3 1,2-ETHANEDIOL                 EDO 
4 'SULFATE ION'                  SO4 
5 water                          HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   HIS n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   MET n 
1 9   VAL n 
1 10  HIS n 
1 11  ILE n 
1 12  THR n 
1 13  LEU n 
1 14  ASP n 
1 15  ARG n 
1 16  ASN n 
1 17  THR n 
1 18  ALA n 
1 19  ASN n 
1 20  SER n 
1 21  TRP n 
1 22  LEU n 
1 23  ILE n 
1 24  ILE n 
1 25  SER n 
1 26  LYS n 
1 27  ASP n 
1 28  ARG n 
1 29  ARG n 
1 30  GLN n 
1 31  VAL n 
1 32  ARG n 
1 33  MET n 
1 34  GLY n 
1 35  ASP n 
1 36  THR n 
1 37  HIS n 
1 38  GLN n 
1 39  ASN n 
1 40  VAL n 
1 41  SER n 
1 42  ASP n 
1 43  ASN n 
1 44  LYS n 
1 45  GLU n 
1 46  ARG n 
1 47  PHE n 
1 48  SER n 
1 49  ASN n 
1 50  TYR n 
1 51  PRO n 
1 52  MET n 
1 53  VAL n 
1 54  LEU n 
1 55  GLY n 
1 56  ALA n 
1 57  GLN n 
1 58  ARG n 
1 59  PHE n 
1 60  SER n 
1 61  SER n 
1 62  GLY n 
1 63  LYS n 
1 64  MET n 
1 65  TYR n 
1 66  TRP n 
1 67  GLU n 
1 68  VAL n 
1 69  ASP n 
1 70  VAL n 
1 71  THR n 
1 72  GLN n 
1 73  LYS n 
1 74  GLU n 
1 75  ALA n 
1 76  TRP n 
1 77  ASP n 
1 78  LEU n 
1 79  GLY n 
1 80  VAL n 
1 81  CYS n 
1 82  ARG n 
1 83  ASP n 
1 84  SER n 
1 85  VAL n 
1 86  GLN n 
1 87  ARG n 
1 88  LYS n 
1 89  GLY n 
1 90  GLN n 
1 91  PHE n 
1 92  SER n 
1 93  LEU n 
1 94  SER n 
1 95  PRO n 
1 96  GLU n 
1 97  ASN n 
1 98  GLY n 
1 99  PHE n 
1 100 TRP n 
1 101 THR n 
1 102 ILE n 
1 103 TRP n 
1 104 LEU n 
1 105 TRP n 
1 106 GLN n 
1 107 ASP n 
1 108 SER n 
1 109 TYR n 
1 110 GLU n 
1 111 ALA n 
1 112 GLY n 
1 113 THR n 
1 114 SER n 
1 115 PRO n 
1 116 GLN n 
1 117 THR n 
1 118 THR n 
1 119 LEU n 
1 120 HIS n 
1 121 ILE n 
1 122 GLN n 
1 123 VAL n 
1 124 PRO n 
1 125 PRO n 
1 126 CYS n 
1 127 GLN n 
1 128 ILE n 
1 129 GLY n 
1 130 ILE n 
1 131 PHE n 
1 132 VAL n 
1 133 ASP n 
1 134 TYR n 
1 135 GLU n 
1 136 ALA n 
1 137 GLY n 
1 138 VAL n 
1 139 VAL n 
1 140 SER n 
1 141 PHE n 
1 142 TYR n 
1 143 ASN n 
1 144 ILE n 
1 145 THR n 
1 146 ASP n 
1 147 HIS n 
1 148 GLY n 
1 149 SER n 
1 150 LEU n 
1 151 ILE n 
1 152 TYR n 
1 153 THR n 
1 154 PHE n 
1 155 SER n 
1 156 GLU n 
1 157 CYS n 
1 158 VAL n 
1 159 PHE n 
1 160 ALA n 
1 161 GLY n 
1 162 PRO n 
1 163 LEU n 
1 164 ARG n 
1 165 PRO n 
1 166 PHE n 
1 167 PHE n 
1 168 ASN n 
1 169 VAL n 
1 170 GLY n 
1 171 PHE n 
1 172 ASN n 
1 173 TYR n 
1 174 SER n 
1 175 GLY n 
1 176 GLY n 
1 177 ASN n 
1 178 ALA n 
1 179 ALA n 
1 180 PRO n 
1 181 LEU n 
1 182 LYS n 
1 183 LEU n 
1 184 CYS n 
1 185 PRO n 
1 186 LEU n 
1 187 LYS n 
1 188 MET n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   188 
_entity_src_gen.gene_src_common_name               'house mouse' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'Trim21, Ro52, Ssa1' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE                        ?                 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE                       ?                 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE                     ?                 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'                ?                 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE                       ?                 'C3 H7 N O2 S'   121.158 
EDO non-polymer         . 1,2-ETHANEDIOL                 'ETHYLENE GLYCOL' 'C2 H6 O2'       62.068  
GLN 'L-peptide linking' y GLUTAMINE                      ?                 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'                ?                 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE                        ?                 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE                      ?                 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER                          ?                 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE                     ?                 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE                        ?                 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE                         ?                 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE                     ?                 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE                  ?                 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE                        ?                 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE                         ?                 'C3 H7 N O3'     105.093 
SO4 non-polymer         . 'SULFATE ION'                  ?                 'O4 S -2'        96.063  
THR 'L-peptide linking' y THREONINE                      ?                 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                     ?                 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE                       ?                 'C9 H11 N O3'    181.189 
U2R non-polymer         . '(4-fluorophenoxy)acetic acid' ?                 'C8 H7 F O3'     170.138 
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        U2R 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   U2R 
_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 U2R 1   201 302 U2R LIG B . 
C 3 EDO 1   202 305 EDO EDO B . 
D 4 SO4 1   203 1   SO4 SO4 B . 
E 5 HOH 1   301 11  HOH HOH B . 
E 5 HOH 2   302 129 HOH HOH B . 
E 5 HOH 3   303 29  HOH HOH B . 
E 5 HOH 4   304 12  HOH HOH B . 
E 5 HOH 5   305 2   HOH HOH B . 
E 5 HOH 6   306 4   HOH HOH B . 
E 5 HOH 7   307 63  HOH HOH B . 
E 5 HOH 8   308 27  HOH HOH B . 
E 5 HOH 9   309 21  HOH HOH B . 
E 5 HOH 10  310 1   HOH HOH B . 
E 5 HOH 11  311 26  HOH HOH B . 
E 5 HOH 12  312 33  HOH HOH B . 
E 5 HOH 13  313 34  HOH HOH B . 
E 5 HOH 14  314 89  HOH HOH B . 
E 5 HOH 15  315 99  HOH HOH B . 
E 5 HOH 16  316 184 HOH HOH B . 
E 5 HOH 17  317 102 HOH HOH B . 
E 5 HOH 18  318 90  HOH HOH B . 
E 5 HOH 19  319 36  HOH HOH B . 
E 5 HOH 20  320 70  HOH HOH B . 
E 5 HOH 21  321 16  HOH HOH B . 
E 5 HOH 22  322 95  HOH HOH B . 
E 5 HOH 23  323 25  HOH HOH B . 
E 5 HOH 24  324 28  HOH HOH B . 
E 5 HOH 25  325 11  HOH HOH B . 
E 5 HOH 26  326 10  HOH HOH B . 
E 5 HOH 27  327 15  HOH HOH B . 
E 5 HOH 28  328 68  HOH HOH B . 
E 5 HOH 29  329 72  HOH HOH B . 
E 5 HOH 30  330 51  HOH HOH B . 
E 5 HOH 31  331 39  HOH HOH B . 
E 5 HOH 32  332 31  HOH HOH B . 
E 5 HOH 33  333 80  HOH HOH B . 
E 5 HOH 34  334 16  HOH HOH B . 
E 5 HOH 35  335 18  HOH HOH B . 
E 5 HOH 36  336 267 HOH HOH B . 
E 5 HOH 37  337 5   HOH HOH B . 
E 5 HOH 38  338 55  HOH HOH B . 
E 5 HOH 39  339 32  HOH HOH B . 
E 5 HOH 40  340 27  HOH HOH B . 
E 5 HOH 41  341 100 HOH HOH B . 
E 5 HOH 42  342 85  HOH HOH B . 
E 5 HOH 43  343 2   HOH HOH B . 
E 5 HOH 44  344 7   HOH HOH B . 
E 5 HOH 45  345 22  HOH HOH B . 
E 5 HOH 46  346 86  HOH HOH B . 
E 5 HOH 47  347 62  HOH HOH B . 
E 5 HOH 48  348 20  HOH HOH B . 
E 5 HOH 49  349 26  HOH HOH B . 
E 5 HOH 50  350 81  HOH HOH B . 
E 5 HOH 51  351 126 HOH HOH B . 
E 5 HOH 52  352 157 HOH HOH B . 
E 5 HOH 53  353 214 HOH HOH B . 
E 5 HOH 54  354 19  HOH HOH B . 
E 5 HOH 55  355 58  HOH HOH B . 
E 5 HOH 56  356 50  HOH HOH B . 
E 5 HOH 57  357 29  HOH HOH B . 
E 5 HOH 58  358 1   HOH HOH B . 
E 5 HOH 59  359 3   HOH HOH B . 
E 5 HOH 60  360 10  HOH HOH B . 
E 5 HOH 61  361 8   HOH HOH B . 
E 5 HOH 62  362 17  HOH HOH B . 
E 5 HOH 63  363 6   HOH HOH B . 
E 5 HOH 64  364 125 HOH HOH B . 
E 5 HOH 65  365 47  HOH HOH B . 
E 5 HOH 66  366 25  HOH HOH B . 
E 5 HOH 67  367 93  HOH HOH B . 
E 5 HOH 68  368 61  HOH HOH B . 
E 5 HOH 69  369 43  HOH HOH B . 
E 5 HOH 70  370 14  HOH HOH B . 
E 5 HOH 71  371 66  HOH HOH B . 
E 5 HOH 72  372 304 HOH HOH B . 
E 5 HOH 73  373 76  HOH HOH B . 
E 5 HOH 74  374 71  HOH HOH B . 
E 5 HOH 75  375 172 HOH HOH B . 
E 5 HOH 76  376 4   HOH HOH B . 
E 5 HOH 77  377 9   HOH HOH B . 
E 5 HOH 78  378 3   HOH HOH B . 
E 5 HOH 79  379 13  HOH HOH B . 
E 5 HOH 80  380 33  HOH HOH B . 
E 5 HOH 81  381 59  HOH HOH B . 
E 5 HOH 82  382 82  HOH HOH B . 
E 5 HOH 83  383 137 HOH HOH B . 
E 5 HOH 84  384 46  HOH HOH B . 
E 5 HOH 85  385 281 HOH HOH B . 
E 5 HOH 86  386 154 HOH HOH B . 
E 5 HOH 87  387 60  HOH HOH B . 
E 5 HOH 88  388 32  HOH HOH B . 
E 5 HOH 89  389 303 HOH HOH B . 
E 5 HOH 90  390 48  HOH HOH B . 
E 5 HOH 91  391 73  HOH HOH B . 
E 5 HOH 92  392 116 HOH HOH B . 
E 5 HOH 93  393 211 HOH HOH B . 
E 5 HOH 94  394 56  HOH HOH B . 
E 5 HOH 95  395 64  HOH HOH B . 
E 5 HOH 96  396 24  HOH HOH B . 
E 5 HOH 97  397 23  HOH HOH B . 
E 5 HOH 98  398 97  HOH HOH B . 
E 5 HOH 99  399 12  HOH HOH B . 
E 5 HOH 100 400 8   HOH HOH B . 
E 5 HOH 101 401 30  HOH HOH B . 
E 5 HOH 102 402 57  HOH HOH B . 
E 5 HOH 103 403 20  HOH HOH B . 
E 5 HOH 104 404 103 HOH HOH B . 
E 5 HOH 105 405 197 HOH HOH B . 
E 5 HOH 106 406 49  HOH HOH B . 
E 5 HOH 107 407 69  HOH HOH B . 
E 5 HOH 108 408 7   HOH HOH B . 
E 5 HOH 109 409 38  HOH HOH B . 
E 5 HOH 110 410 257 HOH HOH B . 
E 5 HOH 111 411 140 HOH HOH B . 
E 5 HOH 112 412 42  HOH HOH B . 
E 5 HOH 113 413 22  HOH HOH B . 
E 5 HOH 114 414 15  HOH HOH B . 
E 5 HOH 115 415 44  HOH HOH B . 
E 5 HOH 116 416 263 HOH HOH B . 
E 5 HOH 117 417 120 HOH HOH B . 
E 5 HOH 118 418 18  HOH HOH B . 
E 5 HOH 119 419 45  HOH HOH B . 
E 5 HOH 120 420 54  HOH HOH B . 
E 5 HOH 121 421 5   HOH HOH B . 
E 5 HOH 122 422 41  HOH HOH B . 
E 5 HOH 123 423 264 HOH HOH B . 
E 5 HOH 124 424 53  HOH HOH B . 
E 5 HOH 125 425 133 HOH HOH B . 
E 5 HOH 126 426 19  HOH HOH B . 
E 5 HOH 127 427 112 HOH HOH B . 
E 5 HOH 128 428 30  HOH HOH B . 
E 5 HOH 129 429 114 HOH HOH B . 
E 5 HOH 130 430 266 HOH HOH B . 
E 5 HOH 131 431 23  HOH HOH B . 
E 5 HOH 132 432 115 HOH HOH B . 
E 5 HOH 133 433 13  HOH HOH B . 
E 5 HOH 134 434 21  HOH HOH B . 
E 5 HOH 135 435 107 HOH HOH B . 
E 5 HOH 136 436 98  HOH HOH B . 
E 5 HOH 137 437 104 HOH HOH B . 
E 5 HOH 138 438 205 HOH HOH B . 
E 5 HOH 139 439 166 HOH HOH B . 
E 5 HOH 140 440 127 HOH HOH B . 
E 5 HOH 141 441 14  HOH HOH B . 
E 5 HOH 142 442 270 HOH HOH B . 
E 5 HOH 143 443 131 HOH HOH B . 
E 5 HOH 144 444 259 HOH HOH B . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 B LEU 192 ? CG  ? A LEU 186 CG  
2 1 Y 1 B LEU 192 ? CD1 ? A LEU 186 CD1 
3 1 Y 1 B LEU 192 ? CD2 ? A LEU 186 CD2 
# 
loop_
_software.pdbx_ordinal 
_software.name 
_software.version 
_software.date 
_software.type 
_software.contact_author 
_software.contact_author_email 
_software.classification 
_software.location 
_software.language 
_software.citation_id 
1 REFMAC      5.8.0267 ?               program 'Garib N. Murshudov' garib@ysbl.york.ac.uk    refinement        
http://www.ccp4.ac.uk/dist/html/refmac5.html        Fortran_77 ? 
2 Aimless     0.7.7    23/04/21        program 'Phil Evans'         ?                        'data scaling'    
http://www.mrc-lmb.cam.ac.uk/harry/pre/aimless.html ?          ? 
3 PDB_EXTRACT 3.23     'SEP. 23, 2016' package PDB                  deposit@deposit.rcsb.org 'data extraction' 
http://sw-tools.pdb.org/apps/PDB_EXTRACT/           C++        ? 
4 XDS         .        ?               program ?                    ?                        'data reduction'  ? ?          ? 
5 REFMAC      .        ?               program ?                    ?                        phasing           ? ?          ? 
# 
_cell.entry_id           7HMV 
_cell.length_a           95.369 
_cell.length_b           95.369 
_cell.length_c           45.820 
_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                         7HMV 
_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          7HMV 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.41 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   49.01 
_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                     7HMV 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             33.720 
_reflns.d_resolution_high            1.150 
_reflns.number_obs                   57034 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         77.200 
_reflns.pdbx_Rmerge_I_obs            0.053 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        16.400 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              10.300 
_reflns.pdbx_Rrim_I_all              0.055 
_reflns.pdbx_Rpim_I_all              0.016 
_reflns.pdbx_CC_half                 0.999 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     587897 
_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 1.150 1.170  ? 303  281 ? 1.078 ? ? ? 1.100  ? 0.400  ? ? ? ? ? ? 7.800  1.524 1.078 ?     
1 2 6.280 33.720 ? 6253 487 ? 0.044 ? ? ? 12.800 ? 52.200 ? ? ? ? ? ? 99.500 0.046 0.014 0.990 
# 
_refine.entry_id                                 7HMV 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.1500 
_refine.ls_d_res_low                             33.7400 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    77.1300 
_refine.ls_number_reflns_obs                     54183 
_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                          0.1775 
_refine.ls_R_factor_R_work                       0.1766 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.1939 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.8000 
_refine.ls_number_reflns_R_free                  2730 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               14.9410 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.1300 
_refine.aniso_B[2][2]                            0.1300 
_refine.aniso_B[3][3]                            -0.2500 
_refine.aniso_B[1][2]                            -0.0000 
_refine.aniso_B[1][3]                            -0.0000 
_refine.aniso_B[2][3]                            -0.0000 
_refine.correlation_coeff_Fo_to_Fc               0.9690 
_refine.correlation_coeff_Fo_to_Fc_free          0.9630 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.overall_SU_R_free                        ? 
_refine.pdbx_overall_ESU_R                       0.0450 
_refine.pdbx_overall_ESU_R_Free                  0.0460 
_refine.overall_SU_ML                            0.0330 
_refine.overall_SU_B                             0.7480 
_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                                60.480 
_refine.B_iso_min                                7.840 
_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                       1.1500 
_refine_hist.d_res_low                        33.7400 
_refine_hist.pdbx_number_atoms_ligand         21 
_refine_hist.number_atoms_solvent             144 
_refine_hist.number_atoms_total               1658 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           28.74 
_refine_hist.pdbx_B_iso_mean_solvent          25.25 
_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       1988 0.013  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1597 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2498 1.839  1.654  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3686 1.429  1.589  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 235  7.175  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 107  28.075 21.215 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 285  11.451 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   22.266 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         217  0.084  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2224 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     494  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            948  1.260  1.346  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         942  1.237  1.331  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1129 1.970  2.008  ? ? 
# 
_refine_ls_shell.d_res_high                       1.1460 
_refine_ls_shell.d_res_low                        1.1760 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               9.9900 
_refine_ls_shell.number_reflns_R_work             516 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3450 
_refine_ls_shell.R_factor_R_free                  0.3440 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             25 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                541 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HMV 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z56978034' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HMV 
_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              7HMV 
_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 7HMV MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HMV HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HMV HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HMV HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HMV HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HMV HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HMV HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HMV MET B 8 ? UNP Q62191 ? ? 'expression tag'        14 8 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 4  ? MET A 8  ? HIS B 10  MET B 14  5 ? 5 
HELX_P HELX_P2 AA2 ASP A 14 ? ALA A 18 ? ASP B 20  ALA B 24  5 ? 5 
HELX_P HELX_P3 AA3 SER A 94 ? ASN A 97 ? SER B 100 ASN B 103 5 ? 4 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           114 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            120 
_struct_mon_prot_cis.auth_asym_id           B 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    115 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     121 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    B 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -2.07 
# 
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                   7HMV 
_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                128.15 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            16.35 
_pdbx_validate_rmsd_angle.angle_standard_deviation   2.10 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASN B 45  ? ? 70.12   35.62 
2 1 ASP B 152 ? ? -103.70 52.10 
# 
_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     429 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   E 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
_phasing.method   MR 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 B MET 7   ? A MET 1   
2 1 Y 1 B LYS 193 ? A LYS 187 
3 1 Y 1 B MET 194 ? A MET 188 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
EDO C1   C N N 88  
EDO O1   O N N 89  
EDO C2   C N N 90  
EDO O2   O N N 91  
EDO H11  H N N 92  
EDO H12  H N N 93  
EDO HO1  H N N 94  
EDO H21  H N N 95  
EDO H22  H N N 96  
EDO HO2  H N N 97  
GLN N    N N N 98  
GLN CA   C N S 99  
GLN C    C N N 100 
GLN O    O N N 101 
GLN CB   C N N 102 
GLN CG   C N N 103 
GLN CD   C N N 104 
GLN OE1  O N N 105 
GLN NE2  N N N 106 
GLN OXT  O N N 107 
GLN H    H N N 108 
GLN H2   H N N 109 
GLN HA   H N N 110 
GLN HB2  H N N 111 
GLN HB3  H N N 112 
GLN HG2  H N N 113 
GLN HG3  H N N 114 
GLN HE21 H N N 115 
GLN HE22 H N N 116 
GLN HXT  H N N 117 
GLU N    N N N 118 
GLU CA   C N S 119 
GLU C    C N N 120 
GLU O    O N N 121 
GLU CB   C N N 122 
GLU CG   C N N 123 
GLU CD   C N N 124 
GLU OE1  O N N 125 
GLU OE2  O N N 126 
GLU OXT  O N N 127 
GLU H    H N N 128 
GLU H2   H N N 129 
GLU HA   H N N 130 
GLU HB2  H N N 131 
GLU HB3  H N N 132 
GLU HG2  H N N 133 
GLU HG3  H N N 134 
GLU HE2  H N N 135 
GLU HXT  H N N 136 
GLY N    N N N 137 
GLY CA   C N N 138 
GLY C    C N N 139 
GLY O    O N N 140 
GLY OXT  O N N 141 
GLY H    H N N 142 
GLY H2   H N N 143 
GLY HA2  H N N 144 
GLY HA3  H N N 145 
GLY HXT  H N N 146 
HIS N    N N N 147 
HIS CA   C N S 148 
HIS C    C N N 149 
HIS O    O N N 150 
HIS CB   C N N 151 
HIS CG   C Y N 152 
HIS ND1  N Y N 153 
HIS CD2  C Y N 154 
HIS CE1  C Y N 155 
HIS NE2  N Y N 156 
HIS OXT  O N N 157 
HIS H    H N N 158 
HIS H2   H N N 159 
HIS HA   H N N 160 
HIS HB2  H N N 161 
HIS HB3  H N N 162 
HIS HD1  H N N 163 
HIS HD2  H N N 164 
HIS HE1  H N N 165 
HIS HE2  H N N 166 
HIS HXT  H N N 167 
HOH O    O N N 168 
HOH H1   H N N 169 
HOH H2   H N N 170 
ILE N    N N N 171 
ILE CA   C N S 172 
ILE C    C N N 173 
ILE O    O N N 174 
ILE CB   C N S 175 
ILE CG1  C N N 176 
ILE CG2  C N N 177 
ILE CD1  C N N 178 
ILE OXT  O N N 179 
ILE H    H N N 180 
ILE H2   H N N 181 
ILE HA   H N N 182 
ILE HB   H N N 183 
ILE HG12 H N N 184 
ILE HG13 H N N 185 
ILE HG21 H N N 186 
ILE HG22 H N N 187 
ILE HG23 H N N 188 
ILE HD11 H N N 189 
ILE HD12 H N N 190 
ILE HD13 H N N 191 
ILE HXT  H N N 192 
LEU N    N N N 193 
LEU CA   C N S 194 
LEU C    C N N 195 
LEU O    O N N 196 
LEU CB   C N N 197 
LEU CG   C N N 198 
LEU CD1  C N N 199 
LEU CD2  C N N 200 
LEU OXT  O N N 201 
LEU H    H N N 202 
LEU H2   H N N 203 
LEU HA   H N N 204 
LEU HB2  H N N 205 
LEU HB3  H N N 206 
LEU HG   H N N 207 
LEU HD11 H N N 208 
LEU HD12 H N N 209 
LEU HD13 H N N 210 
LEU HD21 H N N 211 
LEU HD22 H N N 212 
LEU HD23 H N N 213 
LEU HXT  H N N 214 
LYS N    N N N 215 
LYS CA   C N S 216 
LYS C    C N N 217 
LYS O    O N N 218 
LYS CB   C N N 219 
LYS CG   C N N 220 
LYS CD   C N N 221 
LYS CE   C N N 222 
LYS NZ   N N N 223 
LYS OXT  O N N 224 
LYS H    H N N 225 
LYS H2   H N N 226 
LYS HA   H N N 227 
LYS HB2  H N N 228 
LYS HB3  H N N 229 
LYS HG2  H N N 230 
LYS HG3  H N N 231 
LYS HD2  H N N 232 
LYS HD3  H N N 233 
LYS HE2  H N N 234 
LYS HE3  H N N 235 
LYS HZ1  H N N 236 
LYS HZ2  H N N 237 
LYS HZ3  H N N 238 
LYS HXT  H N N 239 
MET N    N N N 240 
MET CA   C N S 241 
MET C    C N N 242 
MET O    O N N 243 
MET CB   C N N 244 
MET CG   C N N 245 
MET SD   S N N 246 
MET CE   C N N 247 
MET OXT  O N N 248 
MET H    H N N 249 
MET H2   H N N 250 
MET HA   H N N 251 
MET HB2  H N N 252 
MET HB3  H N N 253 
MET HG2  H N N 254 
MET HG3  H N N 255 
MET HE1  H N N 256 
MET HE2  H N N 257 
MET HE3  H N N 258 
MET HXT  H N N 259 
PHE N    N N N 260 
PHE CA   C N S 261 
PHE C    C N N 262 
PHE O    O N N 263 
PHE CB   C N N 264 
PHE CG   C Y N 265 
PHE CD1  C Y N 266 
PHE CD2  C Y N 267 
PHE CE1  C Y N 268 
PHE CE2  C Y N 269 
PHE CZ   C Y N 270 
PHE OXT  O N N 271 
PHE H    H N N 272 
PHE H2   H N N 273 
PHE HA   H N N 274 
PHE HB2  H N N 275 
PHE HB3  H N N 276 
PHE HD1  H N N 277 
PHE HD2  H N N 278 
PHE HE1  H N N 279 
PHE HE2  H N N 280 
PHE HZ   H N N 281 
PHE HXT  H N N 282 
PRO N    N N N 283 
PRO CA   C N S 284 
PRO C    C N N 285 
PRO O    O N N 286 
PRO CB   C N N 287 
PRO CG   C N N 288 
PRO CD   C N N 289 
PRO OXT  O N N 290 
PRO H    H N N 291 
PRO HA   H N N 292 
PRO HB2  H N N 293 
PRO HB3  H N N 294 
PRO HG2  H N N 295 
PRO HG3  H N N 296 
PRO HD2  H N N 297 
PRO HD3  H N N 298 
PRO HXT  H N N 299 
SER N    N N N 300 
SER CA   C N S 301 
SER C    C N N 302 
SER O    O N N 303 
SER CB   C N N 304 
SER OG   O N N 305 
SER OXT  O N N 306 
SER H    H N N 307 
SER H2   H N N 308 
SER HA   H N N 309 
SER HB2  H N N 310 
SER HB3  H N N 311 
SER HG   H N N 312 
SER HXT  H N N 313 
SO4 S    S N N 314 
SO4 O1   O N N 315 
SO4 O2   O N N 316 
SO4 O3   O N N 317 
SO4 O4   O N N 318 
THR N    N N N 319 
THR CA   C N S 320 
THR C    C N N 321 
THR O    O N N 322 
THR CB   C N R 323 
THR OG1  O N N 324 
THR CG2  C N N 325 
THR OXT  O N N 326 
THR H    H N N 327 
THR H2   H N N 328 
THR HA   H N N 329 
THR HB   H N N 330 
THR HG1  H N N 331 
THR HG21 H N N 332 
THR HG22 H N N 333 
THR HG23 H N N 334 
THR HXT  H N N 335 
TRP N    N N N 336 
TRP CA   C N S 337 
TRP C    C N N 338 
TRP O    O N N 339 
TRP CB   C N N 340 
TRP CG   C Y N 341 
TRP CD1  C Y N 342 
TRP CD2  C Y N 343 
TRP NE1  N Y N 344 
TRP CE2  C Y N 345 
TRP CE3  C Y N 346 
TRP CZ2  C Y N 347 
TRP CZ3  C Y N 348 
TRP CH2  C Y N 349 
TRP OXT  O N N 350 
TRP H    H N N 351 
TRP H2   H N N 352 
TRP HA   H N N 353 
TRP HB2  H N N 354 
TRP HB3  H N N 355 
TRP HD1  H N N 356 
TRP HE1  H N N 357 
TRP HE3  H N N 358 
TRP HZ2  H N N 359 
TRP HZ3  H N N 360 
TRP HH2  H N N 361 
TRP HXT  H N N 362 
TYR N    N N N 363 
TYR CA   C N S 364 
TYR C    C N N 365 
TYR O    O N N 366 
TYR CB   C N N 367 
TYR CG   C Y N 368 
TYR CD1  C Y N 369 
TYR CD2  C Y N 370 
TYR CE1  C Y N 371 
TYR CE2  C Y N 372 
TYR CZ   C Y N 373 
TYR OH   O N N 374 
TYR OXT  O N N 375 
TYR H    H N N 376 
TYR H2   H N N 377 
TYR HA   H N N 378 
TYR HB2  H N N 379 
TYR HB3  H N N 380 
TYR HD1  H N N 381 
TYR HD2  H N N 382 
TYR HE1  H N N 383 
TYR HE2  H N N 384 
TYR HH   H N N 385 
TYR HXT  H N N 386 
U2R C4   C Y N 387 
U2R C5   C Y N 388 
U2R C6   C Y N 389 
U2R C7   C Y N 390 
U2R C    C N N 391 
U2R O    O N N 392 
U2R C1   C N N 393 
U2R C2   C Y N 394 
U2R C3   C Y N 395 
U2R F    F N N 396 
U2R O1   O N N 397 
U2R O2   O N N 398 
U2R H1   H N N 399 
U2R H2   H N N 400 
U2R H3   H N N 401 
U2R H4   H N N 402 
U2R H5   H N N 403 
U2R H6   H N N 404 
U2R H7   H N N 405 
VAL N    N N N 406 
VAL CA   C N S 407 
VAL C    C N N 408 
VAL O    O N N 409 
VAL CB   C N N 410 
VAL CG1  C N N 411 
VAL CG2  C N N 412 
VAL OXT  O N N 413 
VAL H    H N N 414 
VAL H2   H N N 415 
VAL HA   H N N 416 
VAL HB   H N N 417 
VAL HG11 H N N 418 
VAL HG12 H N N 419 
VAL HG13 H N N 420 
VAL HG21 H N N 421 
VAL HG22 H N N 422 
VAL HG23 H N N 423 
VAL HXT  H N N 424 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
EDO C1  O1   sing N N 83  
EDO C1  C2   sing N N 84  
EDO C1  H11  sing N N 85  
EDO C1  H12  sing N N 86  
EDO O1  HO1  sing N N 87  
EDO C2  O2   sing N N 88  
EDO C2  H21  sing N N 89  
EDO C2  H22  sing N N 90  
EDO O2  HO2  sing N N 91  
GLN N   CA   sing N N 92  
GLN N   H    sing N N 93  
GLN N   H2   sing N N 94  
GLN CA  C    sing N N 95  
GLN CA  CB   sing N N 96  
GLN CA  HA   sing N N 97  
GLN C   O    doub N N 98  
GLN C   OXT  sing N N 99  
GLN CB  CG   sing N N 100 
GLN CB  HB2  sing N N 101 
GLN CB  HB3  sing N N 102 
GLN CG  CD   sing N N 103 
GLN CG  HG2  sing N N 104 
GLN CG  HG3  sing N N 105 
GLN CD  OE1  doub N N 106 
GLN CD  NE2  sing N N 107 
GLN NE2 HE21 sing N N 108 
GLN NE2 HE22 sing N N 109 
GLN OXT HXT  sing N N 110 
GLU N   CA   sing N N 111 
GLU N   H    sing N N 112 
GLU N   H2   sing N N 113 
GLU CA  C    sing N N 114 
GLU CA  CB   sing N N 115 
GLU CA  HA   sing N N 116 
GLU C   O    doub N N 117 
GLU C   OXT  sing N N 118 
GLU CB  CG   sing N N 119 
GLU CB  HB2  sing N N 120 
GLU CB  HB3  sing N N 121 
GLU CG  CD   sing N N 122 
GLU CG  HG2  sing N N 123 
GLU CG  HG3  sing N N 124 
GLU CD  OE1  doub N N 125 
GLU CD  OE2  sing N N 126 
GLU OE2 HE2  sing N N 127 
GLU OXT HXT  sing N N 128 
GLY N   CA   sing N N 129 
GLY N   H    sing N N 130 
GLY N   H2   sing N N 131 
GLY CA  C    sing N N 132 
GLY CA  HA2  sing N N 133 
GLY CA  HA3  sing N N 134 
GLY C   O    doub N N 135 
GLY C   OXT  sing N N 136 
GLY OXT HXT  sing N N 137 
HIS N   CA   sing N N 138 
HIS N   H    sing N N 139 
HIS N   H2   sing N N 140 
HIS CA  C    sing N N 141 
HIS CA  CB   sing N N 142 
HIS CA  HA   sing N N 143 
HIS C   O    doub N N 144 
HIS C   OXT  sing N N 145 
HIS CB  CG   sing N N 146 
HIS CB  HB2  sing N N 147 
HIS CB  HB3  sing N N 148 
HIS CG  ND1  sing Y N 149 
HIS CG  CD2  doub Y N 150 
HIS ND1 CE1  doub Y N 151 
HIS ND1 HD1  sing N N 152 
HIS CD2 NE2  sing Y N 153 
HIS CD2 HD2  sing N N 154 
HIS CE1 NE2  sing Y N 155 
HIS CE1 HE1  sing N N 156 
HIS NE2 HE2  sing N N 157 
HIS OXT HXT  sing N N 158 
HOH O   H1   sing N N 159 
HOH O   H2   sing N N 160 
ILE N   CA   sing N N 161 
ILE N   H    sing N N 162 
ILE N   H2   sing N N 163 
ILE CA  C    sing N N 164 
ILE CA  CB   sing N N 165 
ILE CA  HA   sing N N 166 
ILE C   O    doub N N 167 
ILE C   OXT  sing N N 168 
ILE CB  CG1  sing N N 169 
ILE CB  CG2  sing N N 170 
ILE CB  HB   sing N N 171 
ILE CG1 CD1  sing N N 172 
ILE CG1 HG12 sing N N 173 
ILE CG1 HG13 sing N N 174 
ILE CG2 HG21 sing N N 175 
ILE CG2 HG22 sing N N 176 
ILE CG2 HG23 sing N N 177 
ILE CD1 HD11 sing N N 178 
ILE CD1 HD12 sing N N 179 
ILE CD1 HD13 sing N N 180 
ILE OXT HXT  sing N N 181 
LEU N   CA   sing N N 182 
LEU N   H    sing N N 183 
LEU N   H2   sing N N 184 
LEU CA  C    sing N N 185 
LEU CA  CB   sing N N 186 
LEU CA  HA   sing N N 187 
LEU C   O    doub N N 188 
LEU C   OXT  sing N N 189 
LEU CB  CG   sing N N 190 
LEU CB  HB2  sing N N 191 
LEU CB  HB3  sing N N 192 
LEU CG  CD1  sing N N 193 
LEU CG  CD2  sing N N 194 
LEU CG  HG   sing N N 195 
LEU CD1 HD11 sing N N 196 
LEU CD1 HD12 sing N N 197 
LEU CD1 HD13 sing N N 198 
LEU CD2 HD21 sing N N 199 
LEU CD2 HD22 sing N N 200 
LEU CD2 HD23 sing N N 201 
LEU OXT HXT  sing N N 202 
LYS N   CA   sing N N 203 
LYS N   H    sing N N 204 
LYS N   H2   sing N N 205 
LYS CA  C    sing N N 206 
LYS CA  CB   sing N N 207 
LYS CA  HA   sing N N 208 
LYS C   O    doub N N 209 
LYS C   OXT  sing N N 210 
LYS CB  CG   sing N N 211 
LYS CB  HB2  sing N N 212 
LYS CB  HB3  sing N N 213 
LYS CG  CD   sing N N 214 
LYS CG  HG2  sing N N 215 
LYS CG  HG3  sing N N 216 
LYS CD  CE   sing N N 217 
LYS CD  HD2  sing N N 218 
LYS CD  HD3  sing N N 219 
LYS CE  NZ   sing N N 220 
LYS CE  HE2  sing N N 221 
LYS CE  HE3  sing N N 222 
LYS NZ  HZ1  sing N N 223 
LYS NZ  HZ2  sing N N 224 
LYS NZ  HZ3  sing N N 225 
LYS OXT HXT  sing N N 226 
MET N   CA   sing N N 227 
MET N   H    sing N N 228 
MET N   H2   sing N N 229 
MET CA  C    sing N N 230 
MET CA  CB   sing N N 231 
MET CA  HA   sing N N 232 
MET C   O    doub N N 233 
MET C   OXT  sing N N 234 
MET CB  CG   sing N N 235 
MET CB  HB2  sing N N 236 
MET CB  HB3  sing N N 237 
MET CG  SD   sing N N 238 
MET CG  HG2  sing N N 239 
MET CG  HG3  sing N N 240 
MET SD  CE   sing N N 241 
MET CE  HE1  sing N N 242 
MET CE  HE2  sing N N 243 
MET CE  HE3  sing N N 244 
MET OXT HXT  sing N N 245 
PHE N   CA   sing N N 246 
PHE N   H    sing N N 247 
PHE N   H2   sing N N 248 
PHE CA  C    sing N N 249 
PHE CA  CB   sing N N 250 
PHE CA  HA   sing N N 251 
PHE C   O    doub N N 252 
PHE C   OXT  sing N N 253 
PHE CB  CG   sing N N 254 
PHE CB  HB2  sing N N 255 
PHE CB  HB3  sing N N 256 
PHE CG  CD1  doub Y N 257 
PHE CG  CD2  sing Y N 258 
PHE CD1 CE1  sing Y N 259 
PHE CD1 HD1  sing N N 260 
PHE CD2 CE2  doub Y N 261 
PHE CD2 HD2  sing N N 262 
PHE CE1 CZ   doub Y N 263 
PHE CE1 HE1  sing N N 264 
PHE CE2 CZ   sing Y N 265 
PHE CE2 HE2  sing N N 266 
PHE CZ  HZ   sing N N 267 
PHE OXT HXT  sing N N 268 
PRO N   CA   sing N N 269 
PRO N   CD   sing N N 270 
PRO N   H    sing N N 271 
PRO CA  C    sing N N 272 
PRO CA  CB   sing N N 273 
PRO CA  HA   sing N N 274 
PRO C   O    doub N N 275 
PRO C   OXT  sing N N 276 
PRO CB  CG   sing N N 277 
PRO CB  HB2  sing N N 278 
PRO CB  HB3  sing N N 279 
PRO CG  CD   sing N N 280 
PRO CG  HG2  sing N N 281 
PRO CG  HG3  sing N N 282 
PRO CD  HD2  sing N N 283 
PRO CD  HD3  sing N N 284 
PRO OXT HXT  sing N N 285 
SER N   CA   sing N N 286 
SER N   H    sing N N 287 
SER N   H2   sing N N 288 
SER CA  C    sing N N 289 
SER CA  CB   sing N N 290 
SER CA  HA   sing N N 291 
SER C   O    doub N N 292 
SER C   OXT  sing N N 293 
SER CB  OG   sing N N 294 
SER CB  HB2  sing N N 295 
SER CB  HB3  sing N N 296 
SER OG  HG   sing N N 297 
SER OXT HXT  sing N N 298 
SO4 S   O1   doub N N 299 
SO4 S   O2   doub N N 300 
SO4 S   O3   sing N N 301 
SO4 S   O4   sing N N 302 
THR N   CA   sing N N 303 
THR N   H    sing N N 304 
THR N   H2   sing N N 305 
THR CA  C    sing N N 306 
THR CA  CB   sing N N 307 
THR CA  HA   sing N N 308 
THR C   O    doub N N 309 
THR C   OXT  sing N N 310 
THR CB  OG1  sing N N 311 
THR CB  CG2  sing N N 312 
THR CB  HB   sing N N 313 
THR OG1 HG1  sing N N 314 
THR CG2 HG21 sing N N 315 
THR CG2 HG22 sing N N 316 
THR CG2 HG23 sing N N 317 
THR OXT HXT  sing N N 318 
TRP N   CA   sing N N 319 
TRP N   H    sing N N 320 
TRP N   H2   sing N N 321 
TRP CA  C    sing N N 322 
TRP CA  CB   sing N N 323 
TRP CA  HA   sing N N 324 
TRP C   O    doub N N 325 
TRP C   OXT  sing N N 326 
TRP CB  CG   sing N N 327 
TRP CB  HB2  sing N N 328 
TRP CB  HB3  sing N N 329 
TRP CG  CD1  doub Y N 330 
TRP CG  CD2  sing Y N 331 
TRP CD1 NE1  sing Y N 332 
TRP CD1 HD1  sing N N 333 
TRP CD2 CE2  doub Y N 334 
TRP CD2 CE3  sing Y N 335 
TRP NE1 CE2  sing Y N 336 
TRP NE1 HE1  sing N N 337 
TRP CE2 CZ2  sing Y N 338 
TRP CE3 CZ3  doub Y N 339 
TRP CE3 HE3  sing N N 340 
TRP CZ2 CH2  doub Y N 341 
TRP CZ2 HZ2  sing N N 342 
TRP CZ3 CH2  sing Y N 343 
TRP CZ3 HZ3  sing N N 344 
TRP CH2 HH2  sing N N 345 
TRP OXT HXT  sing N N 346 
TYR N   CA   sing N N 347 
TYR N   H    sing N N 348 
TYR N   H2   sing N N 349 
TYR CA  C    sing N N 350 
TYR CA  CB   sing N N 351 
TYR CA  HA   sing N N 352 
TYR C   O    doub N N 353 
TYR C   OXT  sing N N 354 
TYR CB  CG   sing N N 355 
TYR CB  HB2  sing N N 356 
TYR CB  HB3  sing N N 357 
TYR CG  CD1  doub Y N 358 
TYR CG  CD2  sing Y N 359 
TYR CD1 CE1  sing Y N 360 
TYR CD1 HD1  sing N N 361 
TYR CD2 CE2  doub Y N 362 
TYR CD2 HD2  sing N N 363 
TYR CE1 CZ   doub Y N 364 
TYR CE1 HE1  sing N N 365 
TYR CE2 CZ   sing Y N 366 
TYR CE2 HE2  sing N N 367 
TYR CZ  OH   sing N N 368 
TYR OH  HH   sing N N 369 
TYR OXT HXT  sing N N 370 
U2R O   C    doub N N 371 
U2R C1  C    sing N N 372 
U2R C1  O2   sing N N 373 
U2R C   O1   sing N N 374 
U2R O2  C2   sing N N 375 
U2R C2  C7   doub Y N 376 
U2R C2  C3   sing Y N 377 
U2R C7  C6   sing Y N 378 
U2R C3  C4   doub Y N 379 
U2R C6  C5   doub Y N 380 
U2R C4  C5   sing Y N 381 
U2R C5  F    sing N N 382 
U2R C4  H1   sing N N 383 
U2R C6  H2   sing N N 384 
U2R C7  H3   sing N N 385 
U2R C1  H4   sing N N 386 
U2R C1  H5   sing N N 387 
U2R C3  H6   sing N N 388 
U2R O1  H7   sing N N 389 
VAL N   CA   sing N N 390 
VAL N   H    sing N N 391 
VAL N   H2   sing N N 392 
VAL CA  C    sing N N 393 
VAL CA  CB   sing N N 394 
VAL CA  HA   sing N N 395 
VAL C   O    doub N N 396 
VAL C   OXT  sing N N 397 
VAL CB  CG1  sing N N 398 
VAL CB  CG2  sing N N 399 
VAL CB  HB   sing N N 400 
VAL CG1 HG11 sing N N 401 
VAL CG1 HG12 sing N N 402 
VAL CG1 HG13 sing N N 403 
VAL CG2 HG21 sing N N 404 
VAL CG2 HG22 sing N N 405 
VAL CG2 HG23 sing N N 406 
VAL OXT HXT  sing N N 407 
# 
_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                    7HMV 
_atom_sites.fract_transf_matrix[1][1]   0.010486 
_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]   0.010486 
_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]   0.021825 
_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 
F 
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   ? -13.387 -12.646 -9.815  1.00 49.38 ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.878 -13.345 -11.051 1.00 45.45 ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.742 -12.530 -11.680 1.00 43.13 ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.607 -11.326 -11.343 1.00 45.44 ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -14.019 -13.599 -12.061 1.00 39.99 ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.537 -12.374 -12.744 1.00 35.13 ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -13.915 -11.819 -13.856 1.00 34.22 ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.625 -11.612 -12.509 1.00 31.29 ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.591 -10.750 -14.253 1.00 33.24 ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.637 -10.583 -13.424 1.00 28.79 ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -11.002 -13.147 -12.604 1.00 39.36 ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.846  -12.544 -13.320 1.00 39.28 ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -10.041 -12.650 -14.844 1.00 34.60 ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -9.030  -12.828 -15.561 1.00 35.66 ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.553  -13.180 -12.768 1.00 46.95 ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -8.408  -12.964 -11.293 1.00 54.53 ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -8.147  -11.712 -10.748 1.00 56.96 ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -8.541  -13.808 -10.244 1.00 59.36 ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -8.104  -11.802 -9.432  1.00 59.08 ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -8.337  -13.080 -9.098  1.00 60.48 ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.284 -12.481 -15.337 1.00 28.28 ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.667 -12.675 -16.768 1.00 23.70 ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.619 -11.343 -17.521 1.00 24.19 ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.746 -11.346 -18.757 1.00 22.23 ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.068 -13.317 -16.912 1.00 23.78 ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.198 -14.673 -16.318 1.00 25.40 ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.304 -15.690 -16.585 1.00 25.34 ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.142 -15.199 -15.501 1.00 25.30 ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.677 -16.779 -15.937 1.00 29.60 ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.800 -16.504 -15.274 1.00 29.27 ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.393 -10.232 -16.822 1.00 25.59 ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.520 -8.863  -17.381 1.00 25.16 ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.638 -8.654  -18.619 1.00 25.16 ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.097 -7.950  -19.528 1.00 26.24 ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.232 -7.800  -16.305 1.00 31.23 ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -12.109 -7.939  -15.110 1.00 36.12 ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.760 -8.735  -14.023 1.00 42.32 ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.327 -7.414  -14.828 1.00 38.85 ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.724 -8.686  -13.117 1.00 42.18 ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.705 -7.888  -13.593 1.00 41.18 ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.448  -9.272  -18.700 1.00 25.31 ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.492  -9.114  -19.824 1.00 25.99 ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -9.015  -9.722  -21.129 1.00 23.96 ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.409  -9.452  -22.169 1.00 26.21 ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.122  -9.714  -19.465 1.00 29.15 ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.147  -11.139 -19.035 1.00 28.37 ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.564  -12.153 -19.789 1.00 34.79 ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.608  -11.727 -17.910 1.00 30.18 ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.693  -13.298 -19.161 1.00 28.52 ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.340  -13.072 -18.009 1.00 35.69 ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.084 -10.537 -21.106 1.00 21.16 ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.761 -11.088 -22.313 1.00 19.12 ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.860 -10.152 -22.806 1.00 16.95 ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.667 -10.620 -23.605 1.00 15.26 ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.327 -12.470 -22.018 1.00 18.40 ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.269 -13.460 -21.624 1.00 18.73 ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.223  -13.786 -22.484 1.00 19.49 ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -10.114 -14.182 -20.501 1.00 19.02 ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.452  -14.656 -21.865 1.00 19.05 ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -8.949  -14.914 -20.657 1.00 20.81 ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -11.942 -8.948  -22.267 1.00 17.02 ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -12.968 -7.953  -22.640 1.00 18.95 ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -13.051 -7.814  -24.155 1.00 18.28 ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -11.987 -7.665  -24.856 1.00 21.01 ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.640 -6.580  -22.052 1.00 22.50 ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.701 -5.513  -22.283 1.00 28.33 ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.226 -5.752  -21.291 1.00 38.29 ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -14.711 -5.074  -19.720 1.00 32.95 ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.259 -7.815  -24.687 1.00 16.34 ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.550 -7.565  -26.120 1.00 17.20 ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.536 -6.388  -26.193 1.00 17.36 ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.410 -6.263  -25.317 1.00 17.47 ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.057 -8.816  -26.859 1.00 18.85 ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -13.949 -9.844  -26.991 1.00 22.28 ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.263 -9.447  -26.194 1.00 19.94 ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.454 -5.600  -27.255 1.00 17.85 ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.330 -4.441  -27.529 1.00 17.37 ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.536 -4.964  -28.298 1.00 17.98 ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.420 -5.397  -29.439 1.00 21.26 ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.578 -3.380  -28.332 1.00 18.32 ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.345 -2.107  -28.489 1.00 23.19 ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.443 -1.180  -27.486 1.00 26.40 ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.078 -1.645  -29.524 1.00 26.47 ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.176 -0.160  -27.912 1.00 24.60 ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.586 -0.436  -29.161 1.00 28.81 ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.661 -5.061  -27.613 1.00 14.37 ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -19.906 -5.560  -28.232 1.00 14.73 ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.719 -4.365  -28.767 1.00 14.17 ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.811 -3.368  -28.089 1.00 14.33 ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.718 -6.381  -27.205 1.00 13.87 ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -19.909 -7.584  -26.701 1.00 14.98 ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.053 -6.806  -27.800 1.00 13.93 ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.356 -8.494  -27.786 1.00 15.78 ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.329 -4.552  -29.922 1.00 13.40 ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.308 -3.579  -30.477 1.00 14.45 ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.563 -4.345  -30.855 1.00 15.16 ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.511 -5.568  -31.130 1.00 15.89 ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.720 -2.769  -31.638 1.00 17.55 ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.372 -3.665  -32.680 1.00 19.49 ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.572 -1.870  -31.219 1.00 19.44 ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.697 -3.632  -30.853 1.00 13.22 ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -25.996 -4.277  -31.148 1.00 13.66 ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.266 -4.277  -32.651 1.00 13.80 ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -25.948 -3.271  -33.332 1.00 14.56 ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.080 -3.527  -30.382 1.00 13.65 ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -26.895 -3.595  -28.876 1.00 13.45 ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -27.880 -2.693  -28.131 1.00 15.11 ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -27.002 -5.037  -28.382 1.00 15.13 ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -26.862 -5.320  -33.159 1.00 12.68 ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.238 -5.501  -34.583 1.00 13.19 ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -28.728 -5.102  -34.756 1.00 14.08 ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.600 -5.873  -34.462 1.00 13.00 ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -26.959 -6.931  -35.059 1.00 13.04 ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.264 -7.197  -36.517 1.00 16.98 ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -27.889 -6.310  -37.140 1.00 17.25 ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -26.988 -8.312  -37.039 1.00 18.02 ? 20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -28.931 -3.870  -35.252 0.25 14.49 ? 21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -28.962 -3.878  -35.249 0.25 15.11 ? 21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.249 -3.230  -35.532 0.25 15.52 ? 21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.319 -3.290  -35.433 0.25 16.42 ? 21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.164 -4.178  -36.301 0.25 14.91 ? 21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.192 -4.197  -36.300 0.25 15.51 ? 21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.374 -4.195  -36.030 0.25 14.76 ? 21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.415 -4.230  -36.079 0.25 15.14 ? 21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.067 -1.968  -36.390 0.25 16.28 ? 21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.232 -1.904  -36.087 0.25 18.46 ? 21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.158 -0.917  -35.771 0.25 17.62 ? 21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.827 -0.791  -35.134 0.25 20.76 ? 21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.163 0.398   -36.542 0.25 18.33 ? 21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.420 -0.276  -35.374 0.25 23.61 ? 21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -28.642 1.447   -35.687 0.25 19.56 ? 21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -28.316 0.749   -36.414 0.25 25.91 ? 21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.350 2.043   -34.750 0.25 18.91 ? 21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -27.869 0.548   -37.653 0.25 29.40 ? 21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.619 1.720   -34.599 0.25 20.46 ? 21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -27.497 -0.654  -38.056 0.25 30.68 ? 21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -28.802 2.963   -33.987 0.25 20.02 ? 21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -27.811 1.558   -38.501 0.25 31.30 ? 21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.609 -4.914  -37.263 1.00 14.68 ? 22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.407 -5.755  -38.178 1.00 16.35 ? 22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.089 -6.903  -37.446 1.00 13.99 ? 22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.060 -7.426  -37.935 1.00 14.15 ? 22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.563 -6.218  -39.369 1.00 19.72 ? 22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.360 -5.087  -40.358 1.00 26.27 ? 22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -31.120 -4.119  -40.376 1.00 33.16 ? 22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.318 -5.188  -41.160 1.00 36.72 ? 22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.547 -7.340  -36.286 1.00 12.09 ? 23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.091 -8.463  -35.503 1.00 11.71 ? 23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.114 -7.979  -34.479 1.00 11.02 ? 23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -33.816 -8.824  -33.891 1.00 11.85 ? 23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -31.005 -9.261  -34.761 1.00 12.15 ? 23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.439 -8.457  -33.721 1.00 12.90 ? 23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -29.961 -9.814  -35.717 1.00 13.74 ? 23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.207 -6.670  -34.269 1.00 11.50 ? 24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -34.017 -6.123  -33.151 1.00 11.59 ? 24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.494 -6.348  -33.413 1.00 12.23 ? 24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -35.997 -6.068  -34.542 1.00 13.34 ? 24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -33.720 -4.681  -32.964 1.00 12.57 ? 24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.262 -6.636  -32.407 1.00 11.76 ? 25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -37.721 -6.449  -32.462 1.00 11.33 ? 25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -37.995 -5.001  -32.900 1.00 10.76 ? 25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.302 -4.071  -32.527 1.00 11.04 ? 25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.275 -6.794  -31.088 1.00 12.34 ? 25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -39.743 -6.520  -30.998 1.00 13.72 ? 25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.174 -5.410  -30.692 1.00 13.77 ? 25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.503 -7.483  -31.414 1.00 16.63 ? 25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.077 -4.860  -33.655 1.00 11.10 ? 26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.442 -3.574  -34.288 1.00 11.21 ? 26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -39.822 -2.503  -33.270 1.00 11.31 ? 26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -39.952 -1.349  -33.732 1.00 12.35 ? 26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.574 -3.782  -35.269 1.00 12.82 ? 26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.685 -4.275  -34.567 1.00 14.84 ? 26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -40.025 -2.773  -31.992 1.00 10.49 ? 27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.331 -1.744  -30.977 1.00 10.69 ? 27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.072 -1.220  -30.287 1.00 11.23 ? 27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.191 -0.324  -29.436 1.00 12.40 ? 27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.307 -2.303  -29.973 1.00 11.86 ? 27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.706 -2.430  -30.528 1.00 12.47 ? 27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.096 -3.000  -31.706 1.00 12.17 ? 27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -43.891 -1.958  -29.901 1.00 13.21 ? 27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.465 -2.919  -31.836 1.00 14.40 ? 27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -44.969 -2.298  -30.749 1.00 12.95 ? 27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -44.142 -1.279  -28.708 1.00 14.64 ? 27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.295 -1.983  -30.416 1.00 15.86 ? 27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.459 -0.994  -28.364 1.00 17.50 ? 27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.505 -1.355  -29.215 1.00 18.21 ? 27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -37.906 -1.841  -30.569 1.00 11.17 ? 28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.686 -1.434  -29.835 1.00 11.57 ? 28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.078 -0.183  -30.464 1.00 12.33 ? 28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.088 -0.001  -31.664 1.00 13.27 ? 28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.664 -2.569  -29.855 1.00 10.95 ? 28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.102 -3.822  -29.124 1.00 11.91 ? 28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -34.996 -4.864  -29.112 1.00 11.75 ? 28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.581 -3.568  -27.729 1.00 12.84 ? 28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.470 0.593   -29.594 1.00 11.60 ? 29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.715 1.834   -29.939 1.00 13.39 ? 29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.261 1.616   -29.519 1.00 13.52 ? 29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -32.978 1.474   -28.293 1.00 13.33 ? 29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.287 3.065   -29.264 1.00 13.67 ? 29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.767 3.294   -29.664 1.00 14.40 ? 29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.431 4.304   -29.590 1.00 16.17 ? 29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.423 4.363   -28.918 1.00 16.94 ? 29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.388 1.528   -30.501 1.00 15.76 ? 30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -30.930 1.344   -30.261 1.00 15.42 ? 30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.203 2.667   -30.436 1.00 16.75 ? 30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.503 3.448   -31.405 1.00 17.24 ? 30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.407 0.281   -31.196 1.00 16.17 ? 30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -31.020 -1.048  -30.798 1.00 19.77 ? 30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -28.876 0.201   -31.199 1.00 17.46 ? 30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -30.819 -2.073  -31.756 1.00 19.75 ? 30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.333 3.038   -29.528 1.00 16.55 ? 31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.613 4.316   -29.586 1.00 17.05 ? 31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -27.698 4.383   -30.830 1.00 15.39 ? 31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.335 3.365   -31.413 1.00 15.38 ? 31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -27.867 4.494   -28.316 1.00 17.92 ? 31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -26.931 3.417   -28.154 1.00 17.39 ? 31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.293 5.628   -31.160 1.00 18.40 ? 32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.377 5.867   -32.306 1.00 17.92 ? 32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.122 5.006   -32.180 1.00 16.76 ? 32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -24.681 4.498   -33.217 1.00 18.52 ? 32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -26.019 7.355   -32.385 1.00 19.70 ? 32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -25.111 7.679   -33.549 1.00 20.97 ? 32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.294 9.106   -33.973 1.00 21.54 ? 32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -24.905 10.022  -32.849 1.00 26.80 ? 32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.377 11.381  -33.118 1.00 30.53 ? 32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.535 4.954   -30.986 1.00 17.40 ? 33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.271 4.188   -30.793 1.00 16.51 ? 33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.532 2.664   -30.790 1.00 15.36 ? 33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.554 1.905   -30.683 1.00 15.49 ? 33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.503 4.673   -29.569 1.00 17.55 ? 33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.172 4.431   -28.224 1.00 16.71 ? 33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.291 3.815   -28.215 1.00 18.53 ? 33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.561 4.823   -27.212 1.00 20.60 ? 33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -24.771 2.199   -30.899 1.00 14.08 ? 34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.133 0.758   -30.899 1.00 13.82 ? 34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.711 0.097   -29.575 1.00 11.68 ? 34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.537 -1.153  -29.578 1.00 13.40 ? 34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.630 0.064   -32.160 1.00 17.82 ? 34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.294 0.649   -33.402 1.00 21.89 ? 34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -24.941 -0.013  -34.691 1.00 27.53 ? 34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.516 -0.155  -34.893 1.00 33.11 ? 34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.798 -1.289  -34.786 1.00 44.24 ? 34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.346 -2.472  -34.483 1.00 39.51 ? 34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.493 -1.226  -35.015 1.00 50.04 ? 34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.665 0.837   -28.500 1.00 11.52 ? 35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.286 0.287   -27.175 1.00 12.51 ? 35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.434 0.277   -26.167 1.00 13.20 ? 35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.273 -0.328  -25.091 1.00 13.82 ? 35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.117 1.069   -26.578 1.00 13.49 ? 35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -21.865 1.013   -27.445 1.00 15.73 ? 35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -21.015 -0.211  -27.213 1.00 16.37 ? 35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.268 -0.057  -25.960 1.00 17.50 ? 35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.509 -0.994  -25.382 1.00 16.88 ? 35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.431 -2.170  -25.936 1.00 17.11 ? 35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -18.865 -0.736  -24.266 1.00 19.03 ? 35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.575 0.890   -26.467 1.00 12.13 ? 36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -27.740 0.901   -25.577 1.00 12.81 ? 36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -28.986 0.492   -26.340 1.00 12.30 ? 36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.137 0.815   -27.549 1.00 13.03 ? 36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -27.972 2.306   -25.017 1.00 14.76 ? 36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -26.727 2.918   -24.415 1.00 18.01 ? 36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -27.037 4.162   -23.618 1.00 21.62 ? 36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.187 4.412   -23.219 1.00 24.86 ? 36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -26.016 4.971   -23.407 1.00 25.59 ? 36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -29.932 -0.082  -25.622 1.00 11.05 ? 37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.233 -0.490  -26.224 1.00 10.66 ? 37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.328 -0.341  -25.181 1.00 11.60 ? 37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.135 -0.728  -24.037 1.00 10.80 ? 37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.154 -1.886  -26.846 1.00 10.77 ? 37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -30.715 -2.958  -25.843 1.00 10.77 ? 37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.463 -2.278  -27.531 1.00 11.53 ? 37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.461 0.192   -25.605 1.00 11.41 ? 38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.649 0.233   -24.751 1.00 11.80 ? 38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -35.906 -0.055  -25.593 1.00 11.88 ? 38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -35.901 0.034   -26.804 1.00 11.12 ? 38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.781 1.586   -24.062 1.00 13.09 ? 38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -35.052 2.731   -25.024 1.00 14.96 ? 38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -34.979 4.059   -24.281 1.00 17.74 ? 38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -35.293 5.186   -25.140 1.00 21.70 ? 38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -36.502 5.656   -25.397 1.00 19.06 ? 38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -37.597 5.114   -24.901 1.00 21.15 ? 38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -36.601 6.711   -26.205 1.00 24.25 ? 38  ARG B NH2 1 
ATOM   283  N N   A MET A 1 33  ? -36.965 -0.378  -24.852 0.27 11.99 ? 39  MET B N   1 
ATOM   284  N N   B MET A 1 33  ? -36.980 -0.464  -24.929 0.25 11.99 ? 39  MET B N   1 
ATOM   285  C CA  A MET A 1 33  ? -38.334 -0.632  -25.366 0.27 13.03 ? 39  MET B CA  1 
ATOM   286  C CA  B MET A 1 33  ? -38.247 -0.741  -25.655 0.25 12.57 ? 39  MET B CA  1 
ATOM   287  C C   A MET A 1 33  ? -38.985 0.721   -25.682 0.27 12.81 ? 39  MET B C   1 
ATOM   288  C C   B MET A 1 33  ? -39.076 0.543   -25.692 0.25 12.61 ? 39  MET B C   1 
ATOM   289  O O   A MET A 1 33  ? -39.042 1.577   -24.796 0.27 14.10 ? 39  MET B O   1 
ATOM   290  O O   B MET A 1 33  ? -39.421 1.082   -24.595 0.25 12.22 ? 39  MET B O   1 
ATOM   291  C CB  A MET A 1 33  ? -39.135 -1.397  -24.301 0.27 13.38 ? 39  MET B CB  1 
ATOM   292  C CB  B MET A 1 33  ? -39.077 -1.865  -25.029 0.25 13.51 ? 39  MET B CB  1 
ATOM   293  C CG  A MET A 1 33  ? -40.508 -1.890  -24.746 0.27 15.28 ? 39  MET B CG  1 
ATOM   294  C CG  B MET A 1 33  ? -40.371 -2.149  -25.821 0.25 14.17 ? 39  MET B CG  1 
ATOM   295  S SD  A MET A 1 33  ? -40.420 -2.992  -26.199 0.27 17.24 ? 39  MET B SD  1 
ATOM   296  S SD  B MET A 1 33  ? -41.305 -3.501  -25.078 0.25 14.28 ? 39  MET B SD  1 
ATOM   297  C CE  A MET A 1 33  ? -41.998 -3.834  -26.146 0.27 17.61 ? 39  MET B CE  1 
ATOM   298  C CE  B MET A 1 33  ? -42.580 -3.666  -26.330 0.25 14.85 ? 39  MET B CE  1 
ATOM   299  N N   . GLY A 1 34  ? -39.396 0.942   -26.927 1.00 13.03 ? 40  GLY B N   1 
ATOM   300  C CA  . GLY A 1 34  ? -40.261 2.102   -27.227 1.00 14.70 ? 40  GLY B CA  1 
ATOM   301  C C   . GLY A 1 34  ? -41.705 1.818   -26.863 1.00 15.97 ? 40  GLY B C   1 
ATOM   302  O O   . GLY A 1 34  ? -42.074 0.730   -26.441 1.00 16.08 ? 40  GLY B O   1 
ATOM   303  N N   . ASP A 1 35  ? -42.504 2.904   -26.851 1.00 19.34 ? 41  ASP B N   1 
ATOM   304  C CA  . ASP A 1 35  ? -43.958 2.833   -26.533 1.00 20.56 ? 41  ASP B CA  1 
ATOM   305  C C   . ASP A 1 35  ? -44.767 2.519   -27.821 1.00 18.86 ? 41  ASP B C   1 
ATOM   306  O O   . ASP A 1 35  ? -46.004 2.361   -27.706 1.00 19.40 ? 41  ASP B O   1 
ATOM   307  C CB  . ASP A 1 35  ? -44.441 4.105   -25.795 1.00 24.10 ? 41  ASP B CB  1 
ATOM   308  C CG  . ASP A 1 35  ? -43.982 4.283   -24.337 1.00 32.99 ? 41  ASP B CG  1 
ATOM   309  O OD1 . ASP A 1 35  ? -43.808 3.260   -23.621 1.00 36.40 ? 41  ASP B OD1 1 
ATOM   310  O OD2 . ASP A 1 35  ? -43.863 5.455   -23.880 1.00 35.92 ? 41  ASP B OD2 1 
ATOM   311  N N   . THR A 1 36  ? -44.131 2.301   -28.968 1.00 14.79 ? 42  THR B N   1 
ATOM   312  C CA  . THR A 1 36  ? -44.813 2.007   -30.268 1.00 15.19 ? 42  THR B CA  1 
ATOM   313  C C   . THR A 1 36  ? -43.864 1.303   -31.248 1.00 13.05 ? 42  THR B C   1 
ATOM   314  O O   . THR A 1 36  ? -42.573 1.305   -31.051 1.00 13.37 ? 42  THR B O   1 
ATOM   315  C CB  . THR A 1 36  ? -45.358 3.333   -30.800 1.00 16.81 ? 42  THR B CB  1 
ATOM   316  O OG1 . THR A 1 36  ? -46.249 3.042   -31.860 1.00 18.13 ? 42  THR B OG1 1 
ATOM   317  C CG2 . THR A 1 36  ? -44.256 4.258   -31.269 1.00 17.50 ? 42  THR B CG2 1 
ATOM   318  N N   . HIS A 1 37  ? -44.361 0.814   -32.376 1.00 13.12 ? 43  HIS B N   1 
ATOM   319  C CA  . HIS A 1 37  ? -43.526 0.324   -33.500 1.00 12.65 ? 43  HIS B CA  1 
ATOM   320  C C   . HIS A 1 37  ? -42.574 1.425   -33.959 1.00 14.11 ? 43  HIS B C   1 
ATOM   321  O O   . HIS A 1 37  ? -43.026 2.590   -34.151 1.00 14.10 ? 43  HIS B O   1 
ATOM   322  C CB  . HIS A 1 37  ? -44.446 -0.193  -34.601 1.00 12.45 ? 43  HIS B CB  1 
ATOM   323  C CG  . HIS A 1 37  ? -43.814 -0.844  -35.765 1.00 11.84 ? 43  HIS B CG  1 
ATOM   324  N ND1 . HIS A 1 37  ? -43.040 -0.165  -36.715 1.00 12.37 ? 43  HIS B ND1 1 
ATOM   325  C CD2 . HIS A 1 37  ? -43.917 -2.123  -36.221 1.00 12.28 ? 43  HIS B CD2 1 
ATOM   326  C CE1 . HIS A 1 37  ? -42.693 -0.997  -37.661 1.00 13.17 ? 43  HIS B CE1 1 
ATOM   327  N NE2 . HIS A 1 37  ? -43.218 -2.261  -37.382 1.00 12.93 ? 43  HIS B NE2 1 
ATOM   328  N N   . GLN A 1 38  ? -41.299 1.122   -34.202 1.00 12.50 ? 44  GLN B N   1 
ATOM   329  C CA  . GLN A 1 38  ? -40.267 2.143   -34.466 1.00 12.80 ? 44  GLN B CA  1 
ATOM   330  C C   . GLN A 1 38  ? -40.109 2.428   -35.961 1.00 13.41 ? 44  GLN B C   1 
ATOM   331  O O   . GLN A 1 38  ? -39.078 3.026   -36.358 1.00 15.17 ? 44  GLN B O   1 
ATOM   332  C CB  . GLN A 1 38  ? -38.951 1.743   -33.784 1.00 12.80 ? 44  GLN B CB  1 
ATOM   333  C CG  . GLN A 1 38  ? -39.070 1.799   -32.292 1.00 13.04 ? 44  GLN B CG  1 
ATOM   334  C CD  . GLN A 1 38  ? -39.545 3.125   -31.759 1.00 13.25 ? 44  GLN B CD  1 
ATOM   335  O OE1 . GLN A 1 38  ? -40.495 3.235   -30.976 1.00 16.57 ? 44  GLN B OE1 1 
ATOM   336  N NE2 . GLN A 1 38  ? -38.904 4.187   -32.199 1.00 12.84 ? 44  GLN B NE2 1 
ATOM   337  N N   . ASN A 1 39  ? -41.065 2.013   -36.781 1.00 12.80 ? 45  ASN B N   1 
ATOM   338  C CA  . ASN A 1 39  ? -41.136 2.462   -38.205 1.00 12.83 ? 45  ASN B CA  1 
ATOM   339  C C   . ASN A 1 39  ? -40.020 1.876   -39.041 1.00 13.15 ? 45  ASN B C   1 
ATOM   340  O O   . ASN A 1 39  ? -39.540 2.490   -39.999 1.00 15.08 ? 45  ASN B O   1 
ATOM   341  C CB  . ASN A 1 39  ? -41.214 3.998   -38.367 1.00 12.96 ? 45  ASN B CB  1 
ATOM   342  C CG  . ASN A 1 39  ? -41.851 4.402   -39.686 1.00 12.08 ? 45  ASN B CG  1 
ATOM   343  O OD1 . ASN A 1 39  ? -42.681 3.694   -40.264 1.00 11.81 ? 45  ASN B OD1 1 
ATOM   344  N ND2 . ASN A 1 39  ? -41.390 5.529   -40.254 1.00 12.55 ? 45  ASN B ND2 1 
ATOM   345  N N   . VAL A 1 40  ? -39.635 0.637   -38.753 1.00 15.01 ? 46  VAL B N   1 
ATOM   346  C CA  . VAL A 1 40  ? -38.654 -0.175  -39.536 1.00 16.20 ? 46  VAL B CA  1 
ATOM   347  C C   . VAL A 1 40  ? -39.385 -1.199  -40.418 1.00 15.80 ? 46  VAL B C   1 
ATOM   348  O O   . VAL A 1 40  ? -40.452 -1.637  -40.041 1.00 15.26 ? 46  VAL B O   1 
ATOM   349  C CB  . VAL A 1 40  ? -37.635 -0.878  -38.615 1.00 16.85 ? 46  VAL B CB  1 
ATOM   350  C CG1 . VAL A 1 40  ? -36.704 0.125   -37.962 1.00 19.42 ? 46  VAL B CG1 1 
ATOM   351  C CG2 . VAL A 1 40  ? -38.269 -1.786  -37.568 1.00 17.84 ? 46  VAL B CG2 1 
ATOM   352  N N   . SER A 1 41  ? -38.774 -1.650  -41.507 1.00 16.89 ? 47  SER B N   1 
ATOM   353  C CA  . SER A 1 41  ? -39.290 -2.764  -42.322 1.00 17.86 ? 47  SER B CA  1 
ATOM   354  C C   . SER A 1 41  ? -39.136 -4.085  -41.579 1.00 16.48 ? 47  SER B C   1 
ATOM   355  O O   . SER A 1 41  ? -38.179 -4.234  -40.772 1.00 16.05 ? 47  SER B O   1 
ATOM   356  C CB  . SER A 1 41  ? -38.612 -2.834  -43.687 1.00 19.02 ? 47  SER B CB  1 
ATOM   357  O OG  . SER A 1 41  ? -37.197 -2.894  -43.564 1.00 21.94 ? 47  SER B OG  1 
ATOM   358  N N   . ASP A 1 42  ? -39.978 -5.059  -41.850 1.00 17.41 ? 48  ASP B N   1 
ATOM   359  C CA  . ASP A 1 42  ? -39.819 -6.429  -41.302 1.00 17.03 ? 48  ASP B CA  1 
ATOM   360  C C   . ASP A 1 42  ? -38.743 -7.160  -42.099 1.00 19.25 ? 48  ASP B C   1 
ATOM   361  O O   . ASP A 1 42  ? -38.452 -6.798  -43.268 1.00 19.21 ? 48  ASP B O   1 
ATOM   362  C CB  . ASP A 1 42  ? -41.151 -7.154  -41.240 1.00 19.04 ? 48  ASP B CB  1 
ATOM   363  C CG  . ASP A 1 42  ? -41.043 -8.422  -40.437 1.00 22.74 ? 48  ASP B CG  1 
ATOM   364  O OD1 . ASP A 1 42  ? -40.335 -8.412  -39.361 1.00 18.28 ? 48  ASP B OD1 1 
ATOM   365  O OD2 . ASP A 1 42  ? -41.483 -9.441  -41.003 1.00 26.78 ? 48  ASP B OD2 1 
ATOM   366  N N   . ASN A 1 43  ? -38.105 -8.142  -41.455 1.00 17.01 ? 49  ASN B N   1 
ATOM   367  C CA  . ASN A 1 43  ? -37.103 -9.006  -42.116 1.00 17.52 ? 49  ASN B CA  1 
ATOM   368  C C   . ASN A 1 43  ? -37.036 -10.314 -41.334 1.00 17.99 ? 49  ASN B C   1 
ATOM   369  O O   . ASN A 1 43  ? -37.647 -10.434 -40.239 1.00 18.92 ? 49  ASN B O   1 
ATOM   370  C CB  . ASN A 1 43  ? -35.760 -8.325  -42.270 1.00 17.81 ? 49  ASN B CB  1 
ATOM   371  C CG  . ASN A 1 43  ? -35.047 -8.140  -40.949 1.00 17.48 ? 49  ASN B CG  1 
ATOM   372  O OD1 . ASN A 1 43  ? -34.910 -9.108  -40.189 1.00 19.48 ? 49  ASN B OD1 1 
ATOM   373  N ND2 . ASN A 1 43  ? -34.621 -6.964  -40.617 1.00 17.18 ? 49  ASN B ND2 1 
ATOM   374  N N   . LYS A 1 44  ? -36.421 -11.313 -41.925 1.00 18.62 ? 50  LYS B N   1 
ATOM   375  C CA  . LYS A 1 44  ? -36.446 -12.683 -41.354 1.00 20.13 ? 50  LYS B CA  1 
ATOM   376  C C   . LYS A 1 44  ? -35.567 -12.759 -40.091 1.00 17.58 ? 50  LYS B C   1 
ATOM   377  O O   . LYS A 1 44  ? -35.789 -13.730 -39.334 1.00 18.85 ? 50  LYS B O   1 
ATOM   378  C CB  . LYS A 1 44  ? -35.925 -13.708 -42.371 1.00 23.19 ? 50  LYS B CB  1 
ATOM   379  C CG  . LYS A 1 44  ? -34.491 -13.479 -42.790 1.00 27.23 ? 50  LYS B CG  1 
ATOM   380  C CD  . LYS A 1 44  ? -34.094 -14.209 -44.050 1.00 35.10 ? 50  LYS B CD  1 
ATOM   381  C CE  . LYS A 1 44  ? -32.590 -14.319 -44.164 1.00 39.47 ? 50  LYS B CE  1 
ATOM   382  N NZ  . LYS A 1 44  ? -32.210 -15.601 -44.800 1.00 45.64 ? 50  LYS B NZ  1 
ATOM   383  N N   . GLU A 1 45  ? -34.663 -11.822 -39.870 1.00 16.60 ? 51  GLU B N   1 
ATOM   384  C CA  . GLU A 1 45  ? -33.754 -11.803 -38.681 1.00 15.84 ? 51  GLU B CA  1 
ATOM   385  C C   . GLU A 1 45  ? -34.491 -11.296 -37.421 1.00 15.49 ? 51  GLU B C   1 
ATOM   386  O O   . GLU A 1 45  ? -34.032 -11.635 -36.299 1.00 16.21 ? 51  GLU B O   1 
ATOM   387  C CB  . GLU A 1 45  ? -32.539 -10.929 -38.939 1.00 19.00 ? 51  GLU B CB  1 
ATOM   388  C CG  . GLU A 1 45  ? -31.629 -11.358 -40.096 1.00 23.34 ? 51  GLU B CG  1 
ATOM   389  C CD  . GLU A 1 45  ? -30.464 -10.383 -40.251 1.00 28.10 ? 51  GLU B CD  1 
ATOM   390  O OE1 . GLU A 1 45  ? -30.421 -9.646  -41.277 1.00 33.67 ? 51  GLU B OE1 1 
ATOM   391  O OE2 . GLU A 1 45  ? -29.613 -10.299 -39.343 1.00 32.37 ? 51  GLU B OE2 1 
ATOM   392  N N   . ARG A 1 46  ? -35.528 -10.450 -37.513 1.00 14.18 ? 52  ARG B N   1 
ATOM   393  C CA  . ARG A 1 46  ? -36.076 -9.765  -36.314 1.00 13.23 ? 52  ARG B CA  1 
ATOM   394  C C   . ARG A 1 46  ? -36.794 -10.736 -35.401 1.00 13.50 ? 52  ARG B C   1 
ATOM   395  O O   . ARG A 1 46  ? -37.641 -11.532 -35.801 1.00 14.12 ? 52  ARG B O   1 
ATOM   396  C CB  . ARG A 1 46  ? -37.090 -8.689  -36.718 1.00 12.73 ? 52  ARG B CB  1 
ATOM   397  C CG  . ARG A 1 46  ? -36.512 -7.553  -37.524 1.00 13.52 ? 52  ARG B CG  1 
ATOM   398  C CD  . ARG A 1 46  ? -37.441 -6.302  -37.465 1.00 13.19 ? 52  ARG B CD  1 
ATOM   399  N NE  . ARG A 1 46  ? -36.942 -5.263  -38.331 1.00 14.91 ? 52  ARG B NE  1 
ATOM   400  C CZ  . ARG A 1 46  ? -35.843 -4.562  -38.120 1.00 13.87 ? 52  ARG B CZ  1 
ATOM   401  N NH1 . ARG A 1 46  ? -35.199 -4.600  -36.951 1.00 13.42 ? 52  ARG B NH1 1 
ATOM   402  N NH2 . ARG A 1 46  ? -35.384 -3.736  -39.061 1.00 15.46 ? 52  ARG B NH2 1 
ATOM   403  N N   . PHE A 1 47  ? -36.516 -10.657 -34.107 1.00 12.07 ? 53  PHE B N   1 
ATOM   404  C CA  . PHE A 1 47  ? -37.332 -11.362 -33.110 1.00 11.95 ? 53  PHE B CA  1 
ATOM   405  C C   . PHE A 1 47  ? -38.742 -10.754 -33.126 1.00 12.86 ? 53  PHE B C   1 
ATOM   406  O O   . PHE A 1 47  ? -38.908 -9.551  -32.885 1.00 13.90 ? 53  PHE B O   1 
ATOM   407  C CB  . PHE A 1 47  ? -36.742 -11.263 -31.704 1.00 11.11 ? 53  PHE B CB  1 
ATOM   408  C CG  . PHE A 1 47  ? -35.503 -12.111 -31.543 1.00 10.91 ? 53  PHE B CG  1 
ATOM   409  C CD1 . PHE A 1 47  ? -35.627 -13.473 -31.315 1.00 10.93 ? 53  PHE B CD1 1 
ATOM   410  C CD2 . PHE A 1 47  ? -34.235 -11.560 -31.612 1.00 11.73 ? 53  PHE B CD2 1 
ATOM   411  C CE1 . PHE A 1 47  ? -34.508 -14.284 -31.167 1.00 11.70 ? 53  PHE B CE1 1 
ATOM   412  C CE2 . PHE A 1 47  ? -33.109 -12.384 -31.463 1.00 11.34 ? 53  PHE B CE2 1 
ATOM   413  C CZ  . PHE A 1 47  ? -33.270 -13.739 -31.223 1.00 10.92 ? 53  PHE B CZ  1 
ATOM   414  N N   . SER A 1 48  ? -39.762 -11.553 -33.390 1.00 13.10 ? 54  SER B N   1 
ATOM   415  C CA  . SER A 1 48  ? -41.148 -11.033 -33.611 1.00 14.35 ? 54  SER B CA  1 
ATOM   416  C C   . SER A 1 48  ? -41.924 -10.936 -32.312 1.00 13.74 ? 54  SER B C   1 
ATOM   417  O O   . SER A 1 48  ? -42.727 -9.959  -32.165 1.00 16.07 ? 54  SER B O   1 
ATOM   418  C CB  . SER A 1 48  ? -41.891 -11.885 -34.616 1.00 14.79 ? 54  SER B CB  1 
ATOM   419  O OG  . SER A 1 48  ? -42.052 -13.215 -34.152 1.00 14.93 ? 54  SER B OG  1 
ATOM   420  N N   . ASN A 1 49  ? -41.772 -11.843 -31.360 1.00 12.40 ? 55  ASN B N   1 
ATOM   421  C CA  . ASN A 1 49  ? -42.715 -12.012 -30.234 1.00 13.64 ? 55  ASN B CA  1 
ATOM   422  C C   . ASN A 1 49  ? -42.220 -11.380 -28.934 1.00 12.37 ? 55  ASN B C   1 
ATOM   423  O O   . ASN A 1 49  ? -42.995 -11.219 -28.001 1.00 13.90 ? 55  ASN B O   1 
ATOM   424  C CB  . ASN A 1 49  ? -43.039 -13.478 -29.946 1.00 15.34 ? 55  ASN B CB  1 
ATOM   425  C CG  . ASN A 1 49  ? -43.945 -14.139 -30.988 1.00 16.81 ? 55  ASN B CG  1 
ATOM   426  O OD1 . ASN A 1 49  ? -43.735 -14.011 -32.188 1.00 19.25 ? 55  ASN B OD1 1 
ATOM   427  N ND2 . ASN A 1 49  ? -44.959 -14.817 -30.497 1.00 21.98 ? 55  ASN B ND2 1 
ATOM   428  N N   . TYR A 1 50  ? -40.931 -11.045 -28.844 1.00 11.48 ? 56  TYR B N   1 
ATOM   429  C CA  . TYR A 1 50  ? -40.310 -10.566 -27.588 1.00 10.81 ? 56  TYR B CA  1 
ATOM   430  C C   . TYR A 1 50  ? -39.345 -9.428  -27.893 1.00 10.38 ? 56  TYR B C   1 
ATOM   431  O O   . TYR A 1 50  ? -38.816 -9.341  -29.000 1.00 11.27 ? 56  TYR B O   1 
ATOM   432  C CB  . TYR A 1 50  ? -39.536 -11.705 -26.909 1.00 11.32 ? 56  TYR B CB  1 
ATOM   433  C CG  . TYR A 1 50  ? -40.252 -13.031 -26.834 1.00 12.39 ? 56  TYR B CG  1 
ATOM   434  C CD1 . TYR A 1 50  ? -41.273 -13.228 -25.913 1.00 14.44 ? 56  TYR B CD1 1 
ATOM   435  C CD2 . TYR A 1 50  ? -39.957 -14.100 -27.676 1.00 13.19 ? 56  TYR B CD2 1 
ATOM   436  C CE1 . TYR A 1 50  ? -41.946 -14.448 -25.817 1.00 16.00 ? 56  TYR B CE1 1 
ATOM   437  C CE2 . TYR A 1 50  ? -40.666 -15.285 -27.632 1.00 13.31 ? 56  TYR B CE2 1 
ATOM   438  C CZ  . TYR A 1 50  ? -41.630 -15.476 -26.677 1.00 14.54 ? 56  TYR B CZ  1 
ATOM   439  O OH  . TYR A 1 50  ? -42.268 -16.689 -26.635 1.00 15.99 ? 56  TYR B OH  1 
ATOM   440  N N   . PRO A 1 51  ? -39.075 -8.556  -26.888 1.00 10.37 ? 57  PRO B N   1 
ATOM   441  C CA  . PRO A 1 51  ? -38.228 -7.389  -27.096 1.00 10.68 ? 57  PRO B CA  1 
ATOM   442  C C   . PRO A 1 51  ? -36.705 -7.685  -27.071 1.00 9.50  ? 57  PRO B C   1 
ATOM   443  O O   . PRO A 1 51  ? -35.953 -7.188  -26.270 1.00 9.65  ? 57  PRO B O   1 
ATOM   444  C CB  . PRO A 1 51  ? -38.623 -6.410  -25.950 1.00 12.19 ? 57  PRO B CB  1 
ATOM   445  C CG  . PRO A 1 51  ? -39.764 -7.056  -25.237 1.00 13.60 ? 57  PRO B CG  1 
ATOM   446  C CD  . PRO A 1 51  ? -39.761 -8.501  -25.596 1.00 11.54 ? 57  PRO B CD  1 
ATOM   447  N N   . MET A 1 52  ? -36.304 -8.548  -28.013 1.00 9.88  ? 58  MET B N   1 
ATOM   448  C CA  . MET A 1 52  ? -34.966 -9.169  -28.086 1.00 8.94  ? 58  MET B CA  1 
ATOM   449  C C   . MET A 1 52  ? -34.169 -8.591  -29.235 1.00 9.50  ? 58  MET B C   1 
ATOM   450  O O   . MET A 1 52  ? -34.690 -8.081  -30.269 1.00 10.10 ? 58  MET B O   1 
ATOM   451  C CB  . MET A 1 52  ? -35.088 -10.679 -28.262 1.00 9.11  ? 58  MET B CB  1 
ATOM   452  C CG  . MET A 1 52  ? -35.645 -11.359 -27.052 1.00 9.37  ? 58  MET B CG  1 
ATOM   453  S SD  . MET A 1 52  ? -36.127 -13.073 -27.495 1.00 11.21 ? 58  MET B SD  1 
ATOM   454  C CE  . MET A 1 52  ? -36.763 -13.693 -25.956 1.00 11.77 ? 58  MET B CE  1 
ATOM   455  N N   . VAL A 1 53  ? -32.839 -8.622  -29.073 1.00 9.38  ? 59  VAL B N   1 
ATOM   456  C CA  . VAL A 1 53  ? -31.850 -8.174  -30.070 1.00 9.86  ? 59  VAL B CA  1 
ATOM   457  C C   . VAL A 1 53  ? -30.557 -8.964  -29.849 1.00 10.00 ? 59  VAL B C   1 
ATOM   458  O O   . VAL A 1 53  ? -30.256 -9.368  -28.700 1.00 10.52 ? 59  VAL B O   1 
ATOM   459  C CB  . VAL A 1 53  ? -31.643 -6.638  -30.012 1.00 10.13 ? 59  VAL B CB  1 
ATOM   460  C CG1 . VAL A 1 53  ? -31.110 -6.168  -28.677 1.00 10.55 ? 59  VAL B CG1 1 
ATOM   461  C CG2 . VAL A 1 53  ? -30.774 -6.127  -31.159 1.00 10.46 ? 59  VAL B CG2 1 
ATOM   462  N N   . LEU A 1 54  ? -29.775 -9.124  -30.903 1.00 9.85  ? 60  LEU B N   1 
ATOM   463  C CA  . LEU A 1 54  ? -28.457 -9.788  -30.831 1.00 9.88  ? 60  LEU B CA  1 
ATOM   464  C C   . LEU A 1 54  ? -27.329 -8.795  -30.955 1.00 10.54 ? 60  LEU B C   1 
ATOM   465  O O   . LEU A 1 54  ? -27.444 -7.713  -31.650 1.00 11.76 ? 60  LEU B O   1 
ATOM   466  C CB  . LEU A 1 54  ? -28.288 -10.833 -31.934 1.00 11.09 ? 60  LEU B CB  1 
ATOM   467  C CG  . LEU A 1 54  ? -29.363 -11.889 -31.950 1.00 11.02 ? 60  LEU B CG  1 
ATOM   468  C CD1 . LEU A 1 54  ? -29.081 -12.963 -32.997 1.00 12.95 ? 60  LEU B CD1 1 
ATOM   469  C CD2 . LEU A 1 54  ? -29.537 -12.553 -30.589 1.00 11.17 ? 60  LEU B CD2 1 
ATOM   470  N N   . GLY A 1 55  ? -26.192 -9.106  -30.351 1.00 10.51 ? 61  GLY B N   1 
ATOM   471  C CA  . GLY A 1 55  ? -24.930 -8.430  -30.727 1.00 11.25 ? 61  GLY B CA  1 
ATOM   472  C C   . GLY A 1 55  ? -24.503 -8.740  -32.159 1.00 11.51 ? 61  GLY B C   1 
ATOM   473  O O   . GLY A 1 55  ? -24.824 -9.791  -32.674 1.00 11.91 ? 61  GLY B O   1 
ATOM   474  N N   . ALA A 1 56  ? -23.733 -7.840  -32.763 1.00 12.32 ? 62  ALA B N   1 
ATOM   475  C CA  . ALA A 1 56  ? -23.236 -8.034  -34.142 1.00 14.28 ? 62  ALA B CA  1 
ATOM   476  C C   . ALA A 1 56  ? -22.117 -9.074  -34.176 1.00 14.78 ? 62  ALA B C   1 
ATOM   477  O O   . ALA A 1 56  ? -21.957 -9.777  -35.196 1.00 17.98 ? 62  ALA B O   1 
ATOM   478  C CB  . ALA A 1 56  ? -22.770 -6.721  -34.670 1.00 15.62 ? 62  ALA B CB  1 
ATOM   479  N N   . GLN A 1 57  ? -21.388 -9.184  -33.084 1.00 13.87 ? 63  GLN B N   1 
ATOM   480  C CA  . GLN A 1 57  ? -20.181 -10.055 -33.053 1.00 14.73 ? 63  GLN B CA  1 
ATOM   481  C C   . GLN A 1 57  ? -20.592 -11.532 -33.041 1.00 14.86 ? 63  GLN B C   1 
ATOM   482  O O   . GLN A 1 57  ? -21.602 -11.928 -32.419 1.00 15.13 ? 63  GLN B O   1 
ATOM   483  C CB  . GLN A 1 57  ? -19.311 -9.685  -31.847 1.00 16.57 ? 63  GLN B CB  1 
ATOM   484  C CG  . GLN A 1 57  ? -18.652 -8.319  -31.924 1.00 18.79 ? 63  GLN B CG  1 
ATOM   485  C CD  . GLN A 1 57  ? -19.613 -7.151  -31.789 1.00 18.42 ? 63  GLN B CD  1 
ATOM   486  O OE1 . GLN A 1 57  ? -20.567 -7.235  -31.033 1.00 17.35 ? 63  GLN B OE1 1 
ATOM   487  N NE2 . GLN A 1 57  ? -19.371 -6.045  -32.470 1.00 20.05 ? 63  GLN B NE2 1 
ATOM   488  N N   . ARG A 1 58  ? -19.850 -12.361 -33.763 1.00 15.15 ? 64  ARG B N   1 
ATOM   489  C CA  . ARG A 1 58  ? -19.985 -13.827 -33.799 1.00 14.88 ? 64  ARG B CA  1 
ATOM   490  C C   . ARG A 1 58  ? -18.725 -14.458 -33.227 1.00 13.97 ? 64  ARG B C   1 
ATOM   491  O O   . ARG A 1 58  ? -17.628 -14.017 -33.587 1.00 17.10 ? 64  ARG B O   1 
ATOM   492  C CB  . ARG A 1 58  ? -20.149 -14.369 -35.235 1.00 18.86 ? 64  ARG B CB  1 
ATOM   493  C CG  . ARG A 1 58  ? -21.532 -14.212 -35.872 1.00 26.86 ? 64  ARG B CG  1 
ATOM   494  C CD  . ARG A 1 58  ? -22.113 -12.830 -35.674 1.00 27.74 ? 64  ARG B CD  1 
ATOM   495  N NE  . ARG A 1 58  ? -22.902 -12.029 -36.627 1.00 30.70 ? 64  ARG B NE  1 
ATOM   496  C CZ  . ARG A 1 58  ? -23.596 -12.449 -37.674 1.00 29.71 ? 64  ARG B CZ  1 
ATOM   497  N NH1 . ARG A 1 58  ? -24.254 -11.560 -38.406 1.00 34.40 ? 64  ARG B NH1 1 
ATOM   498  N NH2 . ARG A 1 58  ? -23.634 -13.719 -38.012 1.00 30.70 ? 64  ARG B NH2 1 
ATOM   499  N N   . PHE A 1 59  ? -18.889 -15.407 -32.337 1.00 12.66 ? 65  PHE B N   1 
ATOM   500  C CA  . PHE A 1 59  ? -17.745 -16.087 -31.678 1.00 13.93 ? 65  PHE B CA  1 
ATOM   501  C C   . PHE A 1 59  ? -17.797 -17.585 -31.964 1.00 12.38 ? 65  PHE B C   1 
ATOM   502  O O   . PHE A 1 59  ? -18.812 -18.247 -31.761 1.00 12.40 ? 65  PHE B O   1 
ATOM   503  C CB  . PHE A 1 59  ? -17.820 -15.865 -30.155 1.00 15.41 ? 65  PHE B CB  1 
ATOM   504  C CG  . PHE A 1 59  ? -17.841 -14.399 -29.760 1.00 16.89 ? 65  PHE B CG  1 
ATOM   505  C CD1 . PHE A 1 59  ? -16.845 -13.573 -30.253 1.00 20.05 ? 65  PHE B CD1 1 
ATOM   506  C CD2 . PHE A 1 59  ? -18.827 -13.831 -28.989 1.00 24.94 ? 65  PHE B CD2 1 
ATOM   507  C CE1 . PHE A 1 59  ? -16.787 -12.217 -29.969 1.00 23.02 ? 65  PHE B CE1 1 
ATOM   508  C CE2 . PHE A 1 59  ? -18.757 -12.467 -28.671 1.00 19.79 ? 65  PHE B CE2 1 
ATOM   509  C CZ  . PHE A 1 59  ? -17.781 -11.676 -29.217 1.00 20.82 ? 65  PHE B CZ  1 
ATOM   510  N N   A SER A 1 60  ? -16.669 -18.151 -32.422 0.25 13.04 ? 66  SER B N   1 
ATOM   511  N N   B SER A 1 60  ? -16.669 -18.138 -32.437 0.25 12.50 ? 66  SER B N   1 
ATOM   512  C CA  A SER A 1 60  ? -16.555 -19.595 -32.758 0.25 13.75 ? 66  SER B CA  1 
ATOM   513  C CA  B SER A 1 60  ? -16.512 -19.584 -32.748 0.25 12.83 ? 66  SER B CA  1 
ATOM   514  C C   A SER A 1 60  ? -15.339 -20.246 -32.069 0.25 13.29 ? 66  SER B C   1 
ATOM   515  C C   B SER A 1 60  ? -15.242 -20.154 -32.117 0.25 13.02 ? 66  SER B C   1 
ATOM   516  O O   A SER A 1 60  ? -15.172 -21.482 -32.201 0.25 12.90 ? 66  SER B O   1 
ATOM   517  O O   B SER A 1 60  ? -14.814 -21.231 -32.532 0.25 11.85 ? 66  SER B O   1 
ATOM   518  C CB  A SER A 1 60  ? -16.579 -19.805 -34.268 0.25 14.39 ? 66  SER B CB  1 
ATOM   519  C CB  B SER A 1 60  ? -16.480 -19.823 -34.225 0.25 12.72 ? 66  SER B CB  1 
ATOM   520  O OG  A SER A 1 60  ? -17.913 -19.625 -34.785 0.25 16.24 ? 66  SER B OG  1 
ATOM   521  O OG  B SER A 1 60  ? -15.449 -19.060 -34.798 0.25 13.06 ? 66  SER B OG  1 
ATOM   522  N N   A SER A 1 61  ? -14.574 -19.467 -31.294 0.25 12.65 ? 67  SER B N   1 
ATOM   523  N N   B SER A 1 61  ? -14.641 -19.438 -31.176 0.25 13.47 ? 67  SER B N   1 
ATOM   524  C CA  A SER A 1 61  ? -13.390 -19.937 -30.527 0.25 13.22 ? 67  SER B CA  1 
ATOM   525  C CA  B SER A 1 61  ? -13.383 -19.868 -30.530 0.25 15.00 ? 67  SER B CA  1 
ATOM   526  C C   A SER A 1 61  ? -13.093 -18.951 -29.394 0.25 13.51 ? 67  SER B C   1 
ATOM   527  C C   B SER A 1 61  ? -13.004 -18.865 -29.450 0.25 14.46 ? 67  SER B C   1 
ATOM   528  O O   A SER A 1 61  ? -13.744 -17.913 -29.348 0.25 13.52 ? 67  SER B O   1 
ATOM   529  O O   B SER A 1 61  ? -13.455 -17.699 -29.550 0.25 14.17 ? 67  SER B O   1 
ATOM   530  C CB  A SER A 1 61  ? -12.185 -20.069 -31.450 0.25 13.39 ? 67  SER B CB  1 
ATOM   531  C CB  B SER A 1 61  ? -12.285 -19.962 -31.564 0.25 16.39 ? 67  SER B CB  1 
ATOM   532  O OG  A SER A 1 61  ? -11.754 -18.800 -31.915 0.25 13.46 ? 67  SER B OG  1 
ATOM   533  O OG  B SER A 1 61  ? -11.078 -20.376 -30.955 0.25 20.41 ? 67  SER B OG  1 
ATOM   534  N N   . GLY A 1 62  ? -12.145 -19.286 -28.519 1.00 14.89 ? 68  GLY B N   1 
ATOM   535  C CA  . GLY A 1 62  ? -11.547 -18.332 -27.582 1.00 15.92 ? 68  GLY B CA  1 
ATOM   536  C C   . GLY A 1 62  ? -12.410 -18.037 -26.369 1.00 12.31 ? 68  GLY B C   1 
ATOM   537  O O   . GLY A 1 62  ? -13.405 -18.717 -26.086 1.00 14.77 ? 68  GLY B O   1 
ATOM   538  N N   . LYS A 1 63  ? -11.906 -17.057 -25.648 1.00 13.21 ? 69  LYS B N   1 
ATOM   539  C CA  . LYS A 1 63  ? -12.492 -16.576 -24.393 1.00 13.12 ? 69  LYS B CA  1 
ATOM   540  C C   . LYS A 1 63  ? -12.921 -15.141 -24.632 1.00 13.29 ? 69  LYS B C   1 
ATOM   541  O O   . LYS A 1 63  ? -12.127 -14.327 -25.111 1.00 14.73 ? 69  LYS B O   1 
ATOM   542  C CB  . LYS A 1 63  ? -11.479 -16.707 -23.260 1.00 14.62 ? 69  LYS B CB  1 
ATOM   543  C CG  . LYS A 1 63  ? -11.088 -18.143 -22.929 1.00 15.10 ? 69  LYS B CG  1 
ATOM   544  C CD  . LYS A 1 63  ? -9.940  -18.210 -21.890 1.00 18.05 ? 69  LYS B CD  1 
ATOM   545  C CE  . LYS A 1 63  ? -9.611  -19.615 -21.450 1.00 20.26 ? 69  LYS B CE  1 
ATOM   546  N NZ  . LYS A 1 63  ? -8.567  -19.613 -20.387 1.00 22.35 ? 69  LYS B NZ  1 
ATOM   547  N N   . MET A 1 64  ? -14.125 -14.814 -24.185 1.00 12.29 ? 70  MET B N   1 
ATOM   548  C CA  . MET A 1 64  ? -14.739 -13.487 -24.388 1.00 12.07 ? 70  MET B CA  1 
ATOM   549  C C   . MET A 1 64  ? -15.403 -13.028 -23.094 1.00 11.95 ? 70  MET B C   1 
ATOM   550  O O   . MET A 1 64  ? -15.996 -13.856 -22.399 1.00 12.65 ? 70  MET B O   1 
ATOM   551  C CB  . MET A 1 64  ? -15.843 -13.560 -25.437 1.00 12.11 ? 70  MET B CB  1 
ATOM   552  C CG  . MET A 1 64  ? -15.370 -13.722 -26.873 1.00 13.39 ? 70  MET B CG  1 
ATOM   553  S SD  . MET A 1 64  ? -14.656 -15.290 -27.389 1.00 15.23 ? 70  MET B SD  1 
ATOM   554  C CE  . MET A 1 64  ? -15.920 -16.470 -26.997 1.00 15.92 ? 70  MET B CE  1 
ATOM   555  N N   . TYR A 1 65  ? -15.364 -11.749 -22.783 1.00 12.08 ? 71  TYR B N   1 
ATOM   556  C CA  . TYR A 1 65  ? -15.988 -11.160 -21.573 1.00 11.63 ? 71  TYR B CA  1 
ATOM   557  C C   . TYR A 1 65  ? -16.612 -9.838  -21.962 1.00 12.24 ? 71  TYR B C   1 
ATOM   558  O O   . TYR A 1 65  ? -15.959 -9.016  -22.664 1.00 12.59 ? 71  TYR B O   1 
ATOM   559  C CB  . TYR A 1 65  ? -14.935 -10.976 -20.472 1.00 12.61 ? 71  TYR B CB  1 
ATOM   560  C CG  . TYR A 1 65  ? -15.452 -10.373 -19.195 1.00 12.40 ? 71  TYR B CG  1 
ATOM   561  C CD1 . TYR A 1 65  ? -16.205 -11.123 -18.321 1.00 12.17 ? 71  TYR B CD1 1 
ATOM   562  C CD2 . TYR A 1 65  ? -15.263 -9.020  -18.911 1.00 13.14 ? 71  TYR B CD2 1 
ATOM   563  C CE1 . TYR A 1 65  ? -16.730 -10.578 -17.154 1.00 13.14 ? 71  TYR B CE1 1 
ATOM   564  C CE2 . TYR A 1 65  ? -15.788 -8.458  -17.755 1.00 12.38 ? 71  TYR B CE2 1 
ATOM   565  C CZ  . TYR A 1 65  ? -16.504 -9.235  -16.873 1.00 13.08 ? 71  TYR B CZ  1 
ATOM   566  O OH  . TYR A 1 65  ? -17.043 -8.651  -15.756 1.00 14.93 ? 71  TYR B OH  1 
ATOM   567  N N   . TRP A 1 66  ? -17.805 -9.578  -21.447 1.00 11.11 ? 72  TRP B N   1 
ATOM   568  C CA  . TRP A 1 66  ? -18.394 -8.218  -21.552 1.00 11.14 ? 72  TRP B CA  1 
ATOM   569  C C   . TRP A 1 66  ? -19.285 -7.970  -20.330 1.00 10.95 ? 72  TRP B C   1 
ATOM   570  O O   . TRP A 1 66  ? -19.655 -8.892  -19.602 1.00 11.78 ? 72  TRP B O   1 
ATOM   571  C CB  . TRP A 1 66  ? -19.126 -8.017  -22.910 1.00 11.46 ? 72  TRP B CB  1 
ATOM   572  C CG  . TRP A 1 66  ? -20.303 -8.891  -23.174 1.00 11.01 ? 72  TRP B CG  1 
ATOM   573  C CD1 . TRP A 1 66  ? -21.632 -8.605  -22.973 1.00 11.25 ? 72  TRP B CD1 1 
ATOM   574  C CD2 . TRP A 1 66  ? -20.296 -10.224 -23.700 1.00 11.64 ? 72  TRP B CD2 1 
ATOM   575  N NE1 . TRP A 1 66  ? -22.439 -9.637  -23.363 1.00 10.84 ? 72  TRP B NE1 1 
ATOM   576  C CE2 . TRP A 1 66  ? -21.640 -10.652 -23.819 1.00 11.43 ? 72  TRP B CE2 1 
ATOM   577  C CE3 . TRP A 1 66  ? -19.275 -11.109 -24.098 1.00 12.75 ? 72  TRP B CE3 1 
ATOM   578  C CZ2 . TRP A 1 66  ? -21.981 -11.895 -24.315 1.00 11.62 ? 72  TRP B CZ2 1 
ATOM   579  C CZ3 . TRP A 1 66  ? -19.611 -12.339 -24.621 1.00 15.14 ? 72  TRP B CZ3 1 
ATOM   580  C CH2 . TRP A 1 66  ? -20.945 -12.747 -24.687 1.00 13.81 ? 72  TRP B CH2 1 
ATOM   581  N N   . GLU A 1 67  ? -19.683 -6.703  -20.182 1.00 10.83 ? 73  GLU B N   1 
ATOM   582  C CA  . GLU A 1 67  ? -20.545 -6.250  -19.064 1.00 10.72 ? 73  GLU B CA  1 
ATOM   583  C C   . GLU A 1 67  ? -21.755 -5.464  -19.549 1.00 10.38 ? 73  GLU B C   1 
ATOM   584  O O   . GLU A 1 67  ? -21.669 -4.766  -20.541 1.00 11.35 ? 73  GLU B O   1 
ATOM   585  C CB  . GLU A 1 67  ? -19.759 -5.386  -18.082 1.00 12.87 ? 73  GLU B CB  1 
ATOM   586  C CG  . GLU A 1 67  ? -18.684 -6.191  -17.349 1.00 15.53 ? 73  GLU B CG  1 
ATOM   587  C CD  . GLU A 1 67  ? -17.833 -5.440  -16.356 1.00 18.44 ? 73  GLU B CD  1 
ATOM   588  O OE1 . GLU A 1 67  ? -18.035 -4.195  -16.220 1.00 22.76 ? 73  GLU B OE1 1 
ATOM   589  O OE2 . GLU A 1 67  ? -16.997 -6.110  -15.654 1.00 17.29 ? 73  GLU B OE2 1 
ATOM   590  N N   . VAL A 1 68  ? -22.852 -5.656  -18.838 1.00 10.76 ? 74  VAL B N   1 
ATOM   591  C CA  . VAL A 1 68  ? -24.139 -5.029  -19.187 1.00 11.18 ? 74  VAL B CA  1 
ATOM   592  C C   . VAL A 1 68  ? -24.691 -4.346  -17.952 1.00 10.59 ? 74  VAL B C   1 
ATOM   593  O O   . VAL A 1 68  ? -24.827 -4.979  -16.892 1.00 11.73 ? 74  VAL B O   1 
ATOM   594  C CB  . VAL A 1 68  ? -25.147 -6.043  -19.748 1.00 11.03 ? 74  VAL B CB  1 
ATOM   595  C CG1 . VAL A 1 68  ? -26.399 -5.349  -20.230 1.00 11.97 ? 74  VAL B CG1 1 
ATOM   596  C CG2 . VAL A 1 68  ? -24.518 -6.914  -20.820 1.00 11.38 ? 74  VAL B CG2 1 
ATOM   597  N N   . ASP A 1 69  ? -25.134 -3.096  -18.127 1.00 10.52 ? 75  ASP B N   1 
ATOM   598  C CA  . ASP A 1 69  ? -25.817 -2.313  -17.077 1.00 11.56 ? 75  ASP B CA  1 
ATOM   599  C C   . ASP A 1 69  ? -27.304 -2.598  -17.134 1.00 10.34 ? 75  ASP B C   1 
ATOM   600  O O   . ASP A 1 69  ? -27.923 -2.461  -18.235 1.00 11.38 ? 75  ASP B O   1 
ATOM   601  C CB  . ASP A 1 69  ? -25.559 -0.809  -17.258 1.00 13.26 ? 75  ASP B CB  1 
ATOM   602  C CG  . ASP A 1 69  ? -25.967 -0.003  -16.034 1.00 15.64 ? 75  ASP B CG  1 
ATOM   603  O OD1 . ASP A 1 69  ? -27.110 -0.030  -15.682 1.00 15.80 ? 75  ASP B OD1 1 
ATOM   604  O OD2 . ASP A 1 69  ? -25.053 0.439   -15.290 1.00 20.04 ? 75  ASP B OD2 1 
ATOM   605  N N   . VAL A 1 70  ? -27.892 -2.998  -16.001 1.00 10.80 ? 76  VAL B N   1 
ATOM   606  C CA  . VAL A 1 70  ? -29.336 -3.352  -15.839 1.00 11.29 ? 76  VAL B CA  1 
ATOM   607  C C   . VAL A 1 70  ? -30.036 -2.453  -14.795 1.00 11.40 ? 76  VAL B C   1 
ATOM   608  O O   . VAL A 1 70  ? -31.097 -2.816  -14.296 1.00 12.18 ? 76  VAL B O   1 
ATOM   609  C CB  . VAL A 1 70  ? -29.461 -4.868  -15.500 1.00 11.04 ? 76  VAL B CB  1 
ATOM   610  C CG1 . VAL A 1 70  ? -28.898 -5.798  -16.602 1.00 10.68 ? 76  VAL B CG1 1 
ATOM   611  C CG2 . VAL A 1 70  ? -28.849 -5.244  -14.166 1.00 12.02 ? 76  VAL B CG2 1 
ATOM   612  N N   . THR A 1 71  ? -29.395 -1.349  -14.427 1.00 12.37 ? 77  THR B N   1 
ATOM   613  C CA  . THR A 1 71  ? -29.898 -0.402  -13.411 1.00 13.53 ? 77  THR B CA  1 
ATOM   614  C C   . THR A 1 71  ? -31.390 -0.122  -13.621 1.00 13.31 ? 77  THR B C   1 
ATOM   615  O O   . THR A 1 71  ? -31.809 0.256   -14.708 1.00 14.11 ? 77  THR B O   1 
ATOM   616  C CB  . THR A 1 71  ? -29.117 0.910   -13.445 1.00 14.51 ? 77  THR B CB  1 
ATOM   617  O OG1 . THR A 1 71  ? -27.731 0.659   -13.171 1.00 17.96 ? 77  THR B OG1 1 
ATOM   618  C CG2 . THR A 1 71  ? -29.665 1.882   -12.419 1.00 18.14 ? 77  THR B CG2 1 
ATOM   619  N N   . GLN A 1 72  ? -32.117 -0.284  -12.519 1.00 15.72 ? 78  GLN B N   1 
ATOM   620  C CA  . GLN A 1 72  ? -33.548 0.054   -12.276 1.00 19.42 ? 78  GLN B CA  1 
ATOM   621  C C   . GLN A 1 72  ? -34.499 -0.719  -13.185 1.00 19.06 ? 78  GLN B C   1 
ATOM   622  O O   . GLN A 1 72  ? -35.723 -0.436  -13.186 1.00 24.44 ? 78  GLN B O   1 
ATOM   623  C CB  . GLN A 1 72  ? -33.821 1.554   -12.363 1.00 26.69 ? 78  GLN B CB  1 
ATOM   624  C CG  . GLN A 1 72  ? -33.563 2.168   -13.729 1.00 33.16 ? 78  GLN B CG  1 
ATOM   625  C CD  . GLN A 1 72  ? -34.517 3.294   -14.055 1.00 37.51 ? 78  GLN B CD  1 
ATOM   626  O OE1 . GLN A 1 72  ? -34.115 4.338   -14.568 1.00 39.69 ? 78  GLN B OE1 1 
ATOM   627  N NE2 . GLN A 1 72  ? -35.805 3.043   -13.853 1.00 42.17 ? 78  GLN B NE2 1 
ATOM   628  N N   . LYS A 1 73  ? -34.071 -1.779  -13.838 1.00 13.46 ? 79  LYS B N   1 
ATOM   629  C CA  . LYS A 1 73  ? -35.019 -2.610  -14.587 1.00 11.94 ? 79  LYS B CA  1 
ATOM   630  C C   . LYS A 1 73  ? -35.718 -3.622  -13.689 1.00 11.14 ? 79  LYS B C   1 
ATOM   631  O O   . LYS A 1 73  ? -35.079 -4.157  -12.738 1.00 13.57 ? 79  LYS B O   1 
ATOM   632  C CB  . LYS A 1 73  ? -34.280 -3.305  -15.727 1.00 12.15 ? 79  LYS B CB  1 
ATOM   633  C CG  . LYS A 1 73  ? -33.858 -2.321  -16.843 1.00 12.60 ? 79  LYS B CG  1 
ATOM   634  C CD  . LYS A 1 73  ? -33.333 -2.980  -18.088 1.00 13.40 ? 79  LYS B CD  1 
ATOM   635  C CE  . LYS A 1 73  ? -34.402 -3.680  -18.891 1.00 12.19 ? 79  LYS B CE  1 
ATOM   636  N NZ  . LYS A 1 73  ? -35.597 -2.837  -19.213 1.00 10.58 ? 79  LYS B NZ  1 
ATOM   637  N N   . GLU A 1 74  ? -36.935 -3.972  -14.042 1.00 10.09 ? 80  GLU B N   1 
ATOM   638  C CA  . GLU A 1 74  ? -37.744 -4.983  -13.348 1.00 10.34 ? 80  GLU B CA  1 
ATOM   639  C C   . GLU A 1 74  ? -37.679 -6.345  -14.042 1.00 10.63 ? 80  GLU B C   1 
ATOM   640  O O   . GLU A 1 74  ? -38.050 -7.354  -13.457 1.00 11.10 ? 80  GLU B O   1 
ATOM   641  C CB  . GLU A 1 74  ? -39.228 -4.573  -13.336 1.00 11.53 ? 80  GLU B CB  1 
ATOM   642  C CG  . GLU A 1 74  ? -39.516 -3.334  -12.517 1.00 12.45 ? 80  GLU B CG  1 
ATOM   643  C CD  . GLU A 1 74  ? -40.974 -2.872  -12.649 1.00 12.15 ? 80  GLU B CD  1 
ATOM   644  O OE1 . GLU A 1 74  ? -41.369 -2.035  -11.820 1.00 15.05 ? 80  GLU B OE1 1 
ATOM   645  O OE2 . GLU A 1 74  ? -41.699 -3.400  -13.517 1.00 13.19 ? 80  GLU B OE2 1 
ATOM   646  N N   . ALA A 1 75  ? -37.313 -6.405  -15.319 1.00 10.11 ? 81  ALA B N   1 
ATOM   647  C CA  . ALA A 1 75  ? -37.323 -7.647  -16.084 1.00 9.99  ? 81  ALA B CA  1 
ATOM   648  C C   . ALA A 1 75  ? -36.342 -7.509  -17.227 1.00 10.53 ? 81  ALA B C   1 
ATOM   649  O O   . ALA A 1 75  ? -36.282 -6.453  -17.902 1.00 10.29 ? 81  ALA B O   1 
ATOM   650  C CB  . ALA A 1 75  ? -38.684 -7.964  -16.610 1.00 10.98 ? 81  ALA B CB  1 
ATOM   651  N N   . TRP A 1 76  ? -35.607 -8.587  -17.512 1.00 9.57  ? 82  TRP B N   1 
ATOM   652  C CA  . TRP A 1 76  ? -34.621 -8.660  -18.629 1.00 9.06  ? 82  TRP B CA  1 
ATOM   653  C C   . TRP A 1 76  ? -34.139 -10.085 -18.722 1.00 9.71  ? 82  TRP B C   1 
ATOM   654  O O   . TRP A 1 76  ? -34.229 -10.856 -17.743 1.00 10.23 ? 82  TRP B O   1 
ATOM   655  C CB  . TRP A 1 76  ? -33.455 -7.701  -18.428 1.00 9.90  ? 82  TRP B CB  1 
ATOM   656  C CG  . TRP A 1 76  ? -32.781 -7.716  -17.099 1.00 10.20 ? 82  TRP B CG  1 
ATOM   657  C CD1 . TRP A 1 76  ? -32.994 -6.856  -16.067 1.00 10.81 ? 82  TRP B CD1 1 
ATOM   658  C CD2 . TRP A 1 76  ? -31.830 -8.670  -16.552 1.00 10.22 ? 82  TRP B CD2 1 
ATOM   659  N NE1 . TRP A 1 76  ? -32.221 -7.134  -14.990 1.00 10.62 ? 82  TRP B NE1 1 
ATOM   660  C CE2 . TRP A 1 76  ? -31.486 -8.276  -15.254 1.00 10.92 ? 82  TRP B CE2 1 
ATOM   661  C CE3 . TRP A 1 76  ? -31.184 -9.820  -17.067 1.00 11.01 ? 82  TRP B CE3 1 
ATOM   662  C CZ2 . TRP A 1 76  ? -30.565 -8.945  -14.449 1.00 10.95 ? 82  TRP B CZ2 1 
ATOM   663  C CZ3 . TRP A 1 76  ? -30.295 -10.518 -16.265 1.00 11.49 ? 82  TRP B CZ3 1 
ATOM   664  C CH2 . TRP A 1 76  ? -29.968 -10.064 -14.981 1.00 11.79 ? 82  TRP B CH2 1 
ATOM   665  N N   . ASP A 1 77  ? -33.582 -10.439 -19.867 1.00 9.38  ? 83  ASP B N   1 
ATOM   666  C CA  . ASP A 1 77  ? -32.803 -11.694 -20.056 1.00 9.70  ? 83  ASP B CA  1 
ATOM   667  C C   . ASP A 1 77  ? -31.441 -11.294 -20.639 1.00 9.31  ? 83  ASP B C   1 
ATOM   668  O O   . ASP A 1 77  ? -31.408 -10.402 -21.528 1.00 9.52  ? 83  ASP B O   1 
ATOM   669  C CB  . ASP A 1 77  ? -33.461 -12.652 -21.040 1.00 11.28 ? 83  ASP B CB  1 
ATOM   670  C CG  . ASP A 1 77  ? -34.947 -12.885 -20.912 1.00 13.28 ? 83  ASP B CG  1 
ATOM   671  O OD1 . ASP A 1 77  ? -35.383 -12.895 -19.790 1.00 16.79 ? 83  ASP B OD1 1 
ATOM   672  O OD2 . ASP A 1 77  ? -35.638 -13.060 -21.955 1.00 14.97 ? 83  ASP B OD2 1 
ATOM   673  N N   . LEU A 1 78  ? -30.370 -12.001 -20.285 1.00 8.52  ? 84  LEU B N   1 
ATOM   674  C CA  . LEU A 1 78  ? -29.027 -11.736 -20.817 1.00 8.96  ? 84  LEU B CA  1 
ATOM   675  C C   . LEU A 1 78  ? -28.303 -13.065 -20.999 1.00 8.38  ? 84  LEU B C   1 
ATOM   676  O O   . LEU A 1 78  ? -28.441 -13.980 -20.183 1.00 8.97  ? 84  LEU B O   1 
ATOM   677  C CB  . LEU A 1 78  ? -28.204 -10.888 -19.860 1.00 9.38  ? 84  LEU B CB  1 
ATOM   678  C CG  . LEU A 1 78  ? -28.554 -9.408  -19.737 1.00 11.16 ? 84  LEU B CG  1 
ATOM   679  C CD1 . LEU A 1 78  ? -27.732 -8.791  -18.607 1.00 12.09 ? 84  LEU B CD1 1 
ATOM   680  C CD2 . LEU A 1 78  ? -28.308 -8.708  -21.040 1.00 11.09 ? 84  LEU B CD2 1 
ATOM   681  N N   . GLY A 1 79  ? -27.463 -13.106 -22.020 1.00 7.84  ? 85  GLY B N   1 
ATOM   682  C CA  . GLY A 1 79  ? -26.514 -14.224 -22.154 1.00 8.61  ? 85  GLY B CA  1 
ATOM   683  C C   . GLY A 1 79  ? -25.947 -14.279 -23.557 1.00 8.19  ? 85  GLY B C   1 
ATOM   684  O O   . GLY A 1 79  ? -25.550 -13.248 -24.134 1.00 8.95  ? 85  GLY B O   1 
ATOM   685  N N   A VAL A 1 80  ? -25.901 -15.505 -24.079 0.25 8.49  ? 86  VAL B N   1 
ATOM   686  N N   B VAL A 1 80  ? -25.935 -15.472 -24.123 0.25 8.63  ? 86  VAL B N   1 
ATOM   687  C CA  A VAL A 1 80  ? -25.494 -15.801 -25.484 0.25 8.69  ? 86  VAL B CA  1 
ATOM   688  C CA  B VAL A 1 80  ? -25.332 -15.722 -25.462 0.25 8.89  ? 86  VAL B CA  1 
ATOM   689  C C   A VAL A 1 80  ? -26.482 -16.764 -26.118 0.25 9.18  ? 86  VAL B C   1 
ATOM   690  C C   B VAL A 1 80  ? -26.215 -16.814 -26.100 0.25 9.43  ? 86  VAL B C   1 
ATOM   691  O O   A VAL A 1 80  ? -27.226 -17.495 -25.431 0.25 8.98  ? 86  VAL B O   1 
ATOM   692  O O   B VAL A 1 80  ? -26.780 -17.602 -25.339 0.25 9.47  ? 86  VAL B O   1 
ATOM   693  C CB  A VAL A 1 80  ? -24.090 -16.421 -25.622 0.25 9.13  ? 86  VAL B CB  1 
ATOM   694  C CB  B VAL A 1 80  ? -23.836 -16.088 -25.283 0.25 9.47  ? 86  VAL B CB  1 
ATOM   695  C CG1 A VAL A 1 80  ? -23.050 -15.400 -25.239 0.25 8.95  ? 86  VAL B CG1 1 
ATOM   696  C CG1 B VAL A 1 80  ? -23.676 -17.438 -24.593 0.25 9.30  ? 86  VAL B CG1 1 
ATOM   697  C CG2 A VAL A 1 80  ? -23.927 -17.711 -24.825 0.25 8.89  ? 86  VAL B CG2 1 
ATOM   698  C CG2 B VAL A 1 80  ? -23.034 -16.039 -26.576 0.25 9.90  ? 86  VAL B CG2 1 
ATOM   699  N N   . CYS A 1 81  ? -26.397 -16.833 -27.432 1.00 9.61  ? 87  CYS B N   1 
ATOM   700  C CA  . CYS A 1 81  ? -27.212 -17.804 -28.129 1.00 10.21 ? 87  CYS B CA  1 
ATOM   701  C C   . CYS A 1 81  ? -26.539 -18.215 -29.428 1.00 9.81  ? 87  CYS B C   1 
ATOM   702  O O   . CYS A 1 81  ? -25.657 -17.503 -29.944 1.00 9.76  ? 87  CYS B O   1 
ATOM   703  C CB  . CYS A 1 81  ? -28.613 -17.244 -28.387 1.00 11.60 ? 87  CYS B CB  1 
ATOM   704  S SG  . CYS A 1 81  ? -28.724 -15.857 -29.532 1.00 11.31 ? 87  CYS B SG  1 
ATOM   705  N N   A ARG A 1 82  ? -26.974 -19.334 -29.969 0.25 9.86  ? 88  ARG B N   1 
ATOM   706  N N   B ARG A 1 82  ? -26.962 -19.356 -29.966 0.25 9.59  ? 88  ARG B N   1 
ATOM   707  C CA  A ARG A 1 82  ? -26.524 -19.711 -31.325 0.25 10.60 ? 88  ARG B CA  1 
ATOM   708  C CA  B ARG A 1 82  ? -26.524 -19.824 -31.311 0.25 10.17 ? 88  ARG B CA  1 
ATOM   709  C C   A ARG A 1 82  ? -26.968 -18.662 -32.345 0.25 10.53 ? 88  ARG B C   1 
ATOM   710  C C   B ARG A 1 82  ? -27.032 -18.848 -32.391 0.25 10.50 ? 88  ARG B C   1 
ATOM   711  O O   A ARG A 1 82  ? -28.008 -18.008 -32.221 0.25 9.54  ? 88  ARG B O   1 
ATOM   712  O O   B ARG A 1 82  ? -28.234 -18.436 -32.320 0.25 10.57 ? 88  ARG B O   1 
ATOM   713  C CB  A ARG A 1 82  ? -27.134 -21.042 -31.730 0.25 11.82 ? 88  ARG B CB  1 
ATOM   714  C CB  B ARG A 1 82  ? -27.072 -21.233 -31.569 0.25 10.84 ? 88  ARG B CB  1 
ATOM   715  C CG  A ARG A 1 82  ? -26.790 -22.140 -30.745 0.25 12.75 ? 88  ARG B CG  1 
ATOM   716  C CG  B ARG A 1 82  ? -26.356 -21.987 -32.682 0.25 10.88 ? 88  ARG B CG  1 
ATOM   717  C CD  A ARG A 1 82  ? -27.265 -23.471 -31.263 0.25 14.40 ? 88  ARG B CD  1 
ATOM   718  C CD  B ARG A 1 82  ? -26.916 -23.376 -32.946 0.25 10.97 ? 88  ARG B CD  1 
ATOM   719  N NE  A ARG A 1 82  ? -26.909 -24.548 -30.350 0.25 14.15 ? 88  ARG B NE  1 
ATOM   720  N NE  B ARG A 1 82  ? -26.800 -24.188 -31.760 0.25 10.90 ? 88  ARG B NE  1 
ATOM   721  C CZ  A ARG A 1 82  ? -27.729 -25.518 -30.001 0.25 14.85 ? 88  ARG B CZ  1 
ATOM   722  C CZ  B ARG A 1 82  ? -27.815 -24.746 -31.110 0.25 10.43 ? 88  ARG B CZ  1 
ATOM   723  N NH1 A ARG A 1 82  ? -28.956 -25.539 -30.479 0.25 14.96 ? 88  ARG B NH1 1 
ATOM   724  N NH1 B ARG A 1 82  ? -29.038 -24.708 -31.589 0.25 11.78 ? 88  ARG B NH1 1 
ATOM   725  N NH2 A ARG A 1 82  ? -27.316 -26.459 -29.176 0.25 15.86 ? 88  ARG B NH2 1 
ATOM   726  N NH2 B ARG A 1 82  ? -27.574 -25.410 -29.999 0.25 10.70 ? 88  ARG B NH2 1 
ATOM   727  N N   . ASP A 1 83  ? -26.184 -18.527 -33.394 1.00 11.52 ? 89  ASP B N   1 
ATOM   728  C CA  . ASP A 1 83  ? -26.591 -17.635 -34.499 1.00 12.73 ? 89  ASP B CA  1 
ATOM   729  C C   . ASP A 1 83  ? -27.891 -18.150 -35.110 1.00 13.84 ? 89  ASP B C   1 
ATOM   730  O O   . ASP A 1 83  ? -28.660 -17.298 -35.654 1.00 16.52 ? 89  ASP B O   1 
ATOM   731  C CB  . ASP A 1 83  ? -25.482 -17.571 -35.544 1.00 14.70 ? 89  ASP B CB  1 
ATOM   732  C CG  . ASP A 1 83  ? -25.102 -18.857 -36.244 1.00 17.66 ? 89  ASP B CG  1 
ATOM   733  O OD1 . ASP A 1 83  ? -25.560 -19.960 -35.819 1.00 20.22 ? 89  ASP B OD1 1 
ATOM   734  O OD2 . ASP A 1 83  ? -24.325 -18.731 -37.225 1.00 21.93 ? 89  ASP B OD2 1 
ATOM   735  N N   . SER A 1 84  ? -28.179 -19.444 -35.096 1.00 13.22 ? 90  SER B N   1 
ATOM   736  C CA  . SER A 1 84  ? -29.345 -20.013 -35.803 1.00 14.46 ? 90  SER B CA  1 
ATOM   737  C C   . SER A 1 84  ? -30.601 -20.174 -34.929 1.00 13.02 ? 90  SER B C   1 
ATOM   738  O O   . SER A 1 84  ? -31.490 -20.865 -35.326 1.00 14.03 ? 90  SER B O   1 
ATOM   739  C CB  . SER A 1 84  ? -28.939 -21.318 -36.399 1.00 17.53 ? 90  SER B CB  1 
ATOM   740  O OG  . SER A 1 84  ? -28.479 -22.180 -35.434 1.00 17.83 ? 90  SER B OG  1 
ATOM   741  N N   . VAL A 1 85  ? -30.675 -19.535 -33.762 1.00 12.13 ? 91  VAL B N   1 
ATOM   742  C CA  . VAL A 1 85  ? -31.909 -19.610 -32.941 1.00 11.69 ? 91  VAL B CA  1 
ATOM   743  C C   . VAL A 1 85  ? -33.122 -19.115 -33.752 1.00 11.42 ? 91  VAL B C   1 
ATOM   744  O O   . VAL A 1 85  ? -33.019 -18.189 -34.582 1.00 12.84 ? 91  VAL B O   1 
ATOM   745  C CB  . VAL A 1 85  ? -31.820 -18.847 -31.596 1.00 11.20 ? 91  VAL B CB  1 
ATOM   746  C CG1 . VAL A 1 85  ? -30.814 -19.516 -30.679 1.00 11.44 ? 91  VAL B CG1 1 
ATOM   747  C CG2 . VAL A 1 85  ? -31.575 -17.369 -31.740 1.00 11.57 ? 91  VAL B CG2 1 
ATOM   748  N N   . GLN A 1 86  ? -34.246 -19.740 -33.469 1.00 12.95 ? 92  GLN B N   1 
ATOM   749  C CA  . GLN A 1 86  ? -35.594 -19.304 -33.941 1.00 14.95 ? 92  GLN B CA  1 
ATOM   750  C C   . GLN A 1 86  ? -35.809 -17.812 -33.645 1.00 13.73 ? 92  GLN B C   1 
ATOM   751  O O   . GLN A 1 86  ? -35.528 -17.353 -32.541 1.00 14.06 ? 92  GLN B O   1 
ATOM   752  C CB  . GLN A 1 86  ? -36.622 -20.156 -33.197 1.00 17.03 ? 92  GLN B CB  1 
ATOM   753  C CG  . GLN A 1 86  ? -38.099 -19.872 -33.520 1.00 19.92 ? 92  GLN B CG  1 
ATOM   754  C CD  . GLN A 1 86  ? -39.016 -20.700 -32.637 1.00 22.52 ? 92  GLN B CD  1 
ATOM   755  O OE1 . GLN A 1 86  ? -38.610 -21.691 -31.989 1.00 23.93 ? 92  GLN B OE1 1 
ATOM   756  N NE2 . GLN A 1 86  ? -40.291 -20.312 -32.567 1.00 24.33 ? 92  GLN B NE2 1 
ATOM   757  N N   . ARG A 1 87  ? -36.344 -17.060 -34.607 1.00 13.15 ? 93  ARG B N   1 
ATOM   758  C CA  . ARG A 1 87  ? -36.638 -15.601 -34.470 1.00 12.60 ? 93  ARG B CA  1 
ATOM   759  C C   . ARG A 1 87  ? -38.145 -15.390 -34.352 1.00 13.76 ? 93  ARG B C   1 
ATOM   760  O O   . ARG A 1 87  ? -38.545 -14.378 -33.745 1.00 13.72 ? 93  ARG B O   1 
ATOM   761  C CB  . ARG A 1 87  ? -36.100 -14.785 -35.623 1.00 13.72 ? 93  ARG B CB  1 
ATOM   762  C CG  . ARG A 1 87  ? -34.636 -15.020 -35.927 1.00 13.62 ? 93  ARG B CG  1 
ATOM   763  C CD  . ARG A 1 87  ? -33.708 -14.735 -34.722 1.00 13.93 ? 93  ARG B CD  1 
ATOM   764  N NE  . ARG A 1 87  ? -32.354 -15.219 -35.010 1.00 14.58 ? 93  ARG B NE  1 
ATOM   765  C CZ  . ARG A 1 87  ? -31.443 -14.517 -35.635 1.00 13.74 ? 93  ARG B CZ  1 
ATOM   766  N NH1 . ARG A 1 87  ? -31.710 -13.291 -36.034 1.00 16.51 ? 93  ARG B NH1 1 
ATOM   767  N NH2 . ARG A 1 87  ? -30.262 -15.027 -35.931 1.00 17.30 ? 93  ARG B NH2 1 
ATOM   768  N N   . LYS A 1 88  ? -38.969 -16.234 -34.966 1.00 13.66 ? 94  LYS B N   1 
ATOM   769  C CA  . LYS A 1 88  ? -40.425 -15.956 -35.136 1.00 14.42 ? 94  LYS B CA  1 
ATOM   770  C C   . LYS A 1 88  ? -41.249 -16.858 -34.250 1.00 15.20 ? 94  LYS B C   1 
ATOM   771  O O   . LYS A 1 88  ? -40.885 -18.087 -34.124 1.00 16.95 ? 94  LYS B O   1 
ATOM   772  C CB  . LYS A 1 88  ? -40.822 -16.145 -36.604 1.00 14.79 ? 94  LYS B CB  1 
ATOM   773  C CG  . LYS A 1 88  ? -39.989 -15.382 -37.609 1.00 16.21 ? 94  LYS B CG  1 
ATOM   774  C CD  . LYS A 1 88  ? -39.934 -13.857 -37.379 1.00 17.43 ? 94  LYS B CD  1 
ATOM   775  C CE  . LYS A 1 88  ? -39.113 -13.178 -38.437 1.00 17.65 ? 94  LYS B CE  1 
ATOM   776  N NZ  . LYS A 1 88  ? -39.082 -11.710 -38.241 1.00 18.15 ? 94  LYS B NZ  1 
ATOM   777  N N   . GLY A 1 89  ? -42.310 -16.351 -33.654 1.00 16.08 ? 95  GLY B N   1 
ATOM   778  C CA  . GLY A 1 89  ? -43.218 -17.144 -32.829 1.00 15.71 ? 95  GLY B CA  1 
ATOM   779  C C   . GLY A 1 89  ? -42.720 -17.330 -31.410 1.00 17.58 ? 95  GLY B C   1 
ATOM   780  O O   . GLY A 1 89  ? -41.755 -16.600 -30.979 1.00 16.50 ? 95  GLY B O   1 
ATOM   781  N N   . GLN A 1 90  ? -43.384 -18.213 -30.681 1.00 17.65 ? 96  GLN B N   1 
ATOM   782  C CA  . GLN A 1 90  ? -43.112 -18.457 -29.258 1.00 18.48 ? 96  GLN B CA  1 
ATOM   783  C C   . GLN A 1 90  ? -42.057 -19.537 -29.082 1.00 18.24 ? 96  GLN B C   1 
ATOM   784  O O   . GLN A 1 90  ? -41.956 -20.462 -29.914 1.00 18.30 ? 96  GLN B O   1 
ATOM   785  C CB  . GLN A 1 90  ? -44.382 -18.902 -28.536 1.00 22.09 ? 96  GLN B CB  1 
ATOM   786  C CG  . GLN A 1 90  ? -45.503 -17.907 -28.750 1.00 26.90 ? 96  GLN B CG  1 
ATOM   787  C CD  . GLN A 1 90  ? -46.755 -18.452 -28.143 1.00 33.95 ? 96  GLN B CD  1 
ATOM   788  O OE1 . GLN A 1 90  ? -46.899 -18.454 -26.923 1.00 39.93 ? 96  GLN B OE1 1 
ATOM   789  N NE2 . GLN A 1 90  ? -47.620 -18.973 -29.002 1.00 39.09 ? 96  GLN B NE2 1 
ATOM   790  N N   . PHE A 1 91  ? -41.208 -19.336 -28.076 1.00 15.22 ? 97  PHE B N   1 
ATOM   791  C CA  . PHE A 1 91  ? -40.193 -20.335 -27.679 1.00 15.05 ? 97  PHE B CA  1 
ATOM   792  C C   . PHE A 1 91  ? -39.709 -20.041 -26.270 1.00 15.25 ? 97  PHE B C   1 
ATOM   793  O O   . PHE A 1 91  ? -39.864 -18.922 -25.762 1.00 16.20 ? 97  PHE B O   1 
ATOM   794  C CB  . PHE A 1 91  ? -39.016 -20.287 -28.649 1.00 15.14 ? 97  PHE B CB  1 
ATOM   795  C CG  . PHE A 1 91  ? -38.375 -18.925 -28.790 1.00 14.29 ? 97  PHE B CG  1 
ATOM   796  C CD1 . PHE A 1 91  ? -37.390 -18.501 -27.901 1.00 14.74 ? 97  PHE B CD1 1 
ATOM   797  C CD2 . PHE A 1 91  ? -38.720 -18.068 -29.826 1.00 14.96 ? 97  PHE B CD2 1 
ATOM   798  C CE1 . PHE A 1 91  ? -36.764 -17.278 -28.045 1.00 14.27 ? 97  PHE B CE1 1 
ATOM   799  C CE2 . PHE A 1 91  ? -38.128 -16.821 -29.941 1.00 13.83 ? 97  PHE B CE2 1 
ATOM   800  C CZ  . PHE A 1 91  ? -37.128 -16.446 -29.074 1.00 13.90 ? 97  PHE B CZ  1 
ATOM   801  N N   A SER A 1 92  ? -39.150 -21.055 -25.609 0.25 15.33 ? 98  SER B N   1 
ATOM   802  N N   B SER A 1 92  ? -39.132 -21.073 -25.648 0.25 14.75 ? 98  SER B N   1 
ATOM   803  C CA  A SER A 1 92  ? -38.524 -20.916 -24.271 0.25 15.82 ? 98  SER B CA  1 
ATOM   804  C CA  B SER A 1 92  ? -38.478 -21.026 -24.318 0.25 14.92 ? 98  SER B CA  1 
ATOM   805  C C   A SER A 1 92  ? -37.011 -20.761 -24.428 0.25 14.25 ? 98  SER B C   1 
ATOM   806  C C   B SER A 1 92  ? -36.989 -20.713 -24.488 0.25 13.69 ? 98  SER B C   1 
ATOM   807  O O   A SER A 1 92  ? -36.419 -21.354 -25.354 0.25 14.34 ? 98  SER B O   1 
ATOM   808  O O   B SER A 1 92  ? -36.382 -21.123 -25.520 0.25 13.55 ? 98  SER B O   1 
ATOM   809  C CB  A SER A 1 92  ? -38.836 -22.080 -23.388 0.25 17.99 ? 98  SER B CB  1 
ATOM   810  C CB  B SER A 1 92  ? -38.664 -22.325 -23.580 0.25 16.07 ? 98  SER B CB  1 
ATOM   811  O OG  A SER A 1 92  ? -38.588 -23.289 -24.081 0.25 21.03 ? 98  SER B OG  1 
ATOM   812  O OG  B SER A 1 92  ? -40.047 -22.587 -23.375 0.25 17.91 ? 98  SER B OG  1 
ATOM   813  N N   . LEU A 1 93  ? -36.416 -20.009 -23.512 1.00 13.46 ? 99  LEU B N   1 
ATOM   814  C CA  . LEU A 1 93  ? -34.957 -19.841 -23.436 1.00 13.27 ? 99  LEU B CA  1 
ATOM   815  C C   . LEU A 1 93  ? -34.388 -21.049 -22.730 1.00 14.01 ? 99  LEU B C   1 
ATOM   816  O O   . LEU A 1 93  ? -34.505 -21.196 -21.516 1.00 16.09 ? 99  LEU B O   1 
ATOM   817  C CB  . LEU A 1 93  ? -34.593 -18.559 -22.693 1.00 13.91 ? 99  LEU B CB  1 
ATOM   818  C CG  . LEU A 1 93  ? -35.119 -17.279 -23.329 1.00 14.43 ? 99  LEU B CG  1 
ATOM   819  C CD1 . LEU A 1 93  ? -34.795 -16.074 -22.445 1.00 15.77 ? 99  LEU B CD1 1 
ATOM   820  C CD2 . LEU A 1 93  ? -34.550 -17.068 -24.710 1.00 15.56 ? 99  LEU B CD2 1 
ATOM   821  N N   . SER A 1 94  ? -33.688 -21.905 -23.466 1.00 12.30 ? 100 SER B N   1 
ATOM   822  C CA  . SER A 1 94  ? -33.089 -23.138 -22.925 1.00 12.48 ? 100 SER B CA  1 
ATOM   823  C C   . SER A 1 94  ? -31.875 -23.495 -23.770 1.00 11.36 ? 100 SER B C   1 
ATOM   824  O O   . SER A 1 94  ? -31.859 -23.177 -24.955 1.00 11.64 ? 100 SER B O   1 
ATOM   825  C CB  . SER A 1 94  ? -34.058 -24.303 -22.926 1.00 14.69 ? 100 SER B CB  1 
ATOM   826  O OG  . SER A 1 94  ? -34.421 -24.673 -24.251 1.00 17.49 ? 100 SER B OG  1 
ATOM   827  N N   . PRO A 1 95  ? -30.942 -24.271 -23.233 1.00 11.55 ? 101 PRO B N   1 
ATOM   828  C CA  . PRO A 1 95  ? -29.835 -24.769 -24.050 1.00 12.64 ? 101 PRO B CA  1 
ATOM   829  C C   . PRO A 1 95  ? -30.348 -25.654 -25.193 1.00 12.60 ? 101 PRO B C   1 
ATOM   830  O O   . PRO A 1 95  ? -29.761 -25.538 -26.309 1.00 12.93 ? 101 PRO B O   1 
ATOM   831  C CB  . PRO A 1 95  ? -28.946 -25.564 -23.062 1.00 13.08 ? 101 PRO B CB  1 
ATOM   832  C CG  . PRO A 1 95  ? -29.237 -24.846 -21.732 1.00 13.65 ? 101 PRO B CG  1 
ATOM   833  C CD  . PRO A 1 95  ? -30.710 -24.522 -21.807 1.00 13.54 ? 101 PRO B CD  1 
ATOM   834  N N   . GLU A 1 96  ? -31.419 -26.408 -25.010 1.00 13.14 ? 102 GLU B N   1 
ATOM   835  C CA  . GLU A 1 96  ? -31.980 -27.232 -26.112 1.00 15.48 ? 102 GLU B CA  1 
ATOM   836  C C   . GLU A 1 96  ? -32.351 -26.327 -27.294 1.00 14.77 ? 102 GLU B C   1 
ATOM   837  O O   . GLU A 1 96  ? -32.334 -26.785 -28.446 1.00 16.29 ? 102 GLU B O   1 
ATOM   838  C CB  . GLU A 1 96  ? -33.165 -28.028 -25.575 1.00 19.68 ? 102 GLU B CB  1 
ATOM   839  C CG  . GLU A 1 96  ? -32.794 -28.906 -24.400 1.00 28.48 ? 102 GLU B CG  1 
ATOM   840  C CD  . GLU A 1 96  ? -33.166 -28.374 -23.020 1.00 33.80 ? 102 GLU B CD  1 
ATOM   841  O OE1 . GLU A 1 96  ? -32.380 -27.552 -22.406 1.00 22.38 ? 102 GLU B OE1 1 
ATOM   842  O OE2 . GLU A 1 96  ? -34.246 -28.838 -22.525 1.00 42.75 ? 102 GLU B OE2 1 
ATOM   843  N N   . ASN A 1 97  ? -32.855 -25.117 -27.050 1.00 12.72 ? 103 ASN B N   1 
ATOM   844  C CA  . ASN A 1 97  ? -33.246 -24.168 -28.113 1.00 12.75 ? 103 ASN B CA  1 
ATOM   845  C C   . ASN A 1 97  ? -32.081 -23.258 -28.508 1.00 11.87 ? 103 ASN B C   1 
ATOM   846  O O   . ASN A 1 97  ? -32.287 -22.394 -29.363 1.00 12.94 ? 103 ASN B O   1 
ATOM   847  C CB  . ASN A 1 97  ? -34.481 -23.349 -27.695 1.00 13.67 ? 103 ASN B CB  1 
ATOM   848  C CG  . ASN A 1 97  ? -35.757 -24.138 -27.675 1.00 16.15 ? 103 ASN B CG  1 
ATOM   849  O OD1 . ASN A 1 97  ? -35.842 -25.226 -28.275 1.00 18.68 ? 103 ASN B OD1 1 
ATOM   850  N ND2 . ASN A 1 97  ? -36.723 -23.686 -26.893 1.00 16.85 ? 103 ASN B ND2 1 
ATOM   851  N N   . GLY A 1 98  ? -30.866 -23.428 -27.975 1.00 10.68 ? 104 GLY B N   1 
ATOM   852  C CA  . GLY A 1 98  ? -29.701 -22.649 -28.386 1.00 10.34 ? 104 GLY B CA  1 
ATOM   853  C C   . GLY A 1 98  ? -29.446 -21.374 -27.591 1.00 9.12  ? 104 GLY B C   1 
ATOM   854  O O   . GLY A 1 98  ? -28.780 -20.484 -28.088 1.00 10.06 ? 104 GLY B O   1 
ATOM   855  N N   . PHE A 1 99  ? -29.938 -21.327 -26.330 1.00 9.99  ? 105 PHE B N   1 
ATOM   856  C CA  . PHE A 1 99  ? -29.729 -20.140 -25.451 1.00 9.37  ? 105 PHE B CA  1 
ATOM   857  C C   . PHE A 1 99  ? -29.035 -20.526 -24.143 1.00 8.63  ? 105 PHE B C   1 
ATOM   858  O O   . PHE A 1 99  ? -29.504 -21.515 -23.521 1.00 10.43 ? 105 PHE B O   1 
ATOM   859  C CB  . PHE A 1 99  ? -31.064 -19.468 -25.106 1.00 9.90  ? 105 PHE B CB  1 
ATOM   860  C CG  . PHE A 1 99  ? -31.863 -18.965 -26.296 1.00 9.67  ? 105 PHE B CG  1 
ATOM   861  C CD1 . PHE A 1 99  ? -32.759 -19.776 -26.966 1.00 10.17 ? 105 PHE B CD1 1 
ATOM   862  C CD2 . PHE A 1 99  ? -31.734 -17.671 -26.753 1.00 10.15 ? 105 PHE B CD2 1 
ATOM   863  C CE1 . PHE A 1 99  ? -33.492 -19.332 -28.060 1.00 10.87 ? 105 PHE B CE1 1 
ATOM   864  C CE2 . PHE A 1 99  ? -32.459 -17.233 -27.840 1.00 10.63 ? 105 PHE B CE2 1 
ATOM   865  C CZ  . PHE A 1 99  ? -33.356 -18.046 -28.469 1.00 10.66 ? 105 PHE B CZ  1 
ATOM   866  N N   . TRP A 1 100 ? -28.107 -19.701 -23.704 1.00 8.35  ? 106 TRP B N   1 
ATOM   867  C CA  . TRP A 1 100 ? -27.431 -19.789 -22.385 1.00 9.01  ? 106 TRP B CA  1 
ATOM   868  C C   . TRP A 1 100 ? -27.573 -18.434 -21.701 1.00 8.02  ? 106 TRP B C   1 
ATOM   869  O O   . TRP A 1 100 ? -26.845 -17.509 -22.003 1.00 9.44  ? 106 TRP B O   1 
ATOM   870  C CB  . TRP A 1 100 ? -25.963 -20.248 -22.513 1.00 8.95  ? 106 TRP B CB  1 
ATOM   871  C CG  . TRP A 1 100 ? -25.863 -21.612 -23.150 1.00 9.39  ? 106 TRP B CG  1 
ATOM   872  C CD1 . TRP A 1 100 ? -25.781 -22.819 -22.516 1.00 10.32 ? 106 TRP B CD1 1 
ATOM   873  C CD2 . TRP A 1 100 ? -25.896 -21.933 -24.568 1.00 9.84  ? 106 TRP B CD2 1 
ATOM   874  N NE1 . TRP A 1 100 ? -25.819 -23.860 -23.439 1.00 10.12 ? 106 TRP B NE1 1 
ATOM   875  C CE2 . TRP A 1 100 ? -25.869 -23.327 -24.693 1.00 10.75 ? 106 TRP B CE2 1 
ATOM   876  C CE3 . TRP A 1 100 ? -25.944 -21.150 -25.728 1.00 10.14 ? 106 TRP B CE3 1 
ATOM   877  C CZ2 . TRP A 1 100 ? -25.906 -23.959 -25.955 1.00 11.59 ? 106 TRP B CZ2 1 
ATOM   878  C CZ3 . TRP A 1 100 ? -25.971 -21.789 -26.958 1.00 11.75 ? 106 TRP B CZ3 1 
ATOM   879  C CH2 . TRP A 1 100 ? -26.002 -23.157 -27.058 1.00 12.33 ? 106 TRP B CH2 1 
ATOM   880  N N   . THR A 1 101 ? -28.579 -18.346 -20.827 1.00 8.61  ? 107 THR B N   1 
ATOM   881  C CA  . THR A 1 101 ? -29.090 -17.046 -20.335 1.00 9.01  ? 107 THR B CA  1 
ATOM   882  C C   . THR A 1 101 ? -29.446 -17.123 -18.844 1.00 8.66  ? 107 THR B C   1 
ATOM   883  O O   . THR A 1 101 ? -29.718 -18.193 -18.297 1.00 8.78  ? 107 THR B O   1 
ATOM   884  C CB  . THR A 1 101 ? -30.342 -16.607 -21.100 1.00 9.68  ? 107 THR B CB  1 
ATOM   885  O OG1 . THR A 1 101 ? -31.412 -17.508 -20.910 1.00 10.62 ? 107 THR B OG1 1 
ATOM   886  C CG2 . THR A 1 101 ? -30.055 -16.374 -22.572 1.00 10.30 ? 107 THR B CG2 1 
ATOM   887  N N   . ILE A 1 102 ? -29.483 -15.947 -18.235 1.00 8.86  ? 108 ILE B N   1 
ATOM   888  C CA  . ILE A 1 102 ? -30.144 -15.723 -16.898 1.00 8.81  ? 108 ILE B CA  1 
ATOM   889  C C   . ILE A 1 102 ? -31.141 -14.590 -17.079 1.00 9.00  ? 108 ILE B C   1 
ATOM   890  O O   . ILE A 1 102 ? -31.076 -13.798 -18.079 1.00 9.47  ? 108 ILE B O   1 
ATOM   891  C CB  . ILE A 1 102 ? -29.120 -15.420 -15.777 1.00 9.30  ? 108 ILE B CB  1 
ATOM   892  C CG1 . ILE A 1 102 ? -28.432 -14.064 -15.970 1.00 10.46 ? 108 ILE B CG1 1 
ATOM   893  C CG2 . ILE A 1 102 ? -28.110 -16.566 -15.671 1.00 9.59  ? 108 ILE B CG2 1 
ATOM   894  C CD1 . ILE A 1 102 ? -27.611 -13.595 -14.788 1.00 10.92 ? 108 ILE B CD1 1 
ATOM   895  N N   . TRP A 1 103 ? -32.011 -14.453 -16.108 1.00 9.30  ? 109 TRP B N   1 
ATOM   896  C CA  . TRP A 1 103 ? -33.023 -13.384 -16.162 1.00 9.86  ? 109 TRP B CA  1 
ATOM   897  C C   . TRP A 1 103 ? -33.414 -12.904 -14.793 1.00 9.94  ? 109 TRP B C   1 
ATOM   898  O O   . TRP A 1 103 ? -33.237 -13.603 -13.770 1.00 10.12 ? 109 TRP B O   1 
ATOM   899  C CB  . TRP A 1 103 ? -34.217 -13.792 -16.958 1.00 12.07 ? 109 TRP B CB  1 
ATOM   900  C CG  . TRP A 1 103 ? -34.985 -14.928 -16.445 1.00 13.47 ? 109 TRP B CG  1 
ATOM   901  C CD1 . TRP A 1 103 ? -35.843 -14.950 -15.392 1.00 13.81 ? 109 TRP B CD1 1 
ATOM   902  C CD2 . TRP A 1 103 ? -35.104 -16.182 -17.103 1.00 14.21 ? 109 TRP B CD2 1 
ATOM   903  N NE1 . TRP A 1 103 ? -36.489 -16.144 -15.344 1.00 16.78 ? 109 TRP B NE1 1 
ATOM   904  C CE2 . TRP A 1 103 ? -36.071 -16.924 -16.384 1.00 14.96 ? 109 TRP B CE2 1 
ATOM   905  C CE3 . TRP A 1 103 ? -34.507 -16.733 -18.232 1.00 16.03 ? 109 TRP B CE3 1 
ATOM   906  C CZ2 . TRP A 1 103 ? -36.427 -18.221 -16.755 1.00 18.43 ? 109 TRP B CZ2 1 
ATOM   907  C CZ3 . TRP A 1 103 ? -34.875 -17.998 -18.603 1.00 18.12 ? 109 TRP B CZ3 1 
ATOM   908  C CH2 . TRP A 1 103 ? -35.807 -18.719 -17.875 1.00 17.09 ? 109 TRP B CH2 1 
ATOM   909  N N   . LEU A 1 104 ? -34.011 -11.703 -14.783 1.00 9.58  ? 110 LEU B N   1 
ATOM   910  C CA  . LEU A 1 104 ? -34.787 -11.159 -13.655 1.00 10.14 ? 110 LEU B CA  1 
ATOM   911  C C   . LEU A 1 104 ? -36.235 -11.153 -14.080 1.00 9.85  ? 110 LEU B C   1 
ATOM   912  O O   . LEU A 1 104 ? -36.579 -10.663 -15.161 1.00 10.06 ? 110 LEU B O   1 
ATOM   913  C CB  . LEU A 1 104 ? -34.335 -9.743  -13.366 1.00 10.89 ? 110 LEU B CB  1 
ATOM   914  C CG  . LEU A 1 104 ? -35.181 -8.960  -12.354 1.00 11.19 ? 110 LEU B CG  1 
ATOM   915  C CD1 . LEU A 1 104 ? -35.210 -9.618  -10.965 1.00 11.78 ? 110 LEU B CD1 1 
ATOM   916  C CD2 . LEU A 1 104 ? -34.727 -7.521  -12.275 1.00 12.90 ? 110 LEU B CD2 1 
ATOM   917  N N   . TRP A 1 105 ? -37.124 -11.560 -13.180 1.00 11.51 ? 111 TRP B N   1 
ATOM   918  C CA  . TRP A 1 105 ? -38.580 -11.589 -13.405 1.00 12.51 ? 111 TRP B CA  1 
ATOM   919  C C   . TRP A 1 105 ? -39.296 -11.635 -12.057 1.00 13.82 ? 111 TRP B C   1 
ATOM   920  O O   . TRP A 1 105 ? -38.955 -12.508 -11.224 1.00 14.28 ? 111 TRP B O   1 
ATOM   921  C CB  . TRP A 1 105 ? -38.939 -12.813 -14.225 1.00 15.88 ? 111 TRP B CB  1 
ATOM   922  C CG  . TRP A 1 105 ? -40.392 -13.046 -14.346 1.00 18.16 ? 111 TRP B CG  1 
ATOM   923  C CD1 . TRP A 1 105 ? -41.153 -14.065 -13.838 1.00 20.26 ? 111 TRP B CD1 1 
ATOM   924  C CD2 . TRP A 1 105 ? -41.247 -12.230 -15.143 1.00 18.57 ? 111 TRP B CD2 1 
ATOM   925  N NE1 . TRP A 1 105 ? -42.433 -13.909 -14.259 1.00 20.33 ? 111 TRP B NE1 1 
ATOM   926  C CE2 . TRP A 1 105 ? -42.534 -12.788 -15.043 1.00 18.67 ? 111 TRP B CE2 1 
ATOM   927  C CE3 . TRP A 1 105 ? -41.063 -11.093 -15.936 1.00 17.83 ? 111 TRP B CE3 1 
ATOM   928  C CZ2 . TRP A 1 105 ? -43.639 -12.253 -15.697 1.00 21.78 ? 111 TRP B CZ2 1 
ATOM   929  C CZ3 . TRP A 1 105 ? -42.168 -10.523 -16.540 1.00 21.67 ? 111 TRP B CZ3 1 
ATOM   930  C CH2 . TRP A 1 105 ? -43.439 -11.094 -16.424 1.00 21.98 ? 111 TRP B CH2 1 
ATOM   931  N N   . GLN A 1 106 ? -40.166 -10.645 -11.787 1.00 12.68 ? 112 GLN B N   1 
ATOM   932  C CA  . GLN A 1 106 ? -41.000 -10.655 -10.542 1.00 13.07 ? 112 GLN B CA  1 
ATOM   933  C C   . GLN A 1 106 ? -40.099 -10.841 -9.352  1.00 14.35 ? 112 GLN B C   1 
ATOM   934  O O   . GLN A 1 106 ? -40.455 -11.689 -8.452  1.00 16.67 ? 112 GLN B O   1 
ATOM   935  C CB  . GLN A 1 106 ? -42.094 -11.694 -10.650 1.00 15.20 ? 112 GLN B CB  1 
ATOM   936  C CG  . GLN A 1 106 ? -42.994 -11.382 -11.815 1.00 16.25 ? 112 GLN B CG  1 
ATOM   937  C CD  . GLN A 1 106 ? -44.255 -12.211 -11.857 1.00 18.22 ? 112 GLN B CD  1 
ATOM   938  O OE1 . GLN A 1 106 ? -45.199 -11.906 -12.602 1.00 22.31 ? 112 GLN B OE1 1 
ATOM   939  N NE2 . GLN A 1 106 ? -44.299 -13.269 -11.061 1.00 17.81 ? 112 GLN B NE2 1 
ATOM   940  N N   . ASP A 1 107 ? -39.095 -10.028 -9.233  1.00 15.02 ? 113 ASP B N   1 
ATOM   941  C CA  . ASP A 1 107 ? -38.270 -9.858  -8.030  1.00 19.75 ? 113 ASP B CA  1 
ATOM   942  C C   . ASP A 1 107 ? -37.410 -11.102 -7.732  1.00 19.32 ? 113 ASP B C   1 
ATOM   943  O O   . ASP A 1 107 ? -36.707 -11.046 -6.650  1.00 24.71 ? 113 ASP B O   1 
ATOM   944  C CB  . ASP A 1 107 ? -39.234 -9.563  -6.872  1.00 23.55 ? 113 ASP B CB  1 
ATOM   945  C CG  . ASP A 1 107 ? -38.614 -8.924  -5.670  1.00 32.05 ? 113 ASP B CG  1 
ATOM   946  O OD1 . ASP A 1 107 ? -37.623 -8.164  -5.823  1.00 35.55 ? 113 ASP B OD1 1 
ATOM   947  O OD2 . ASP A 1 107 ? -39.177 -9.166  -4.569  1.00 42.66 ? 113 ASP B OD2 1 
ATOM   948  N N   . SER A 1 108 ? -37.302 -12.057 -8.676  1.00 15.46 ? 114 SER B N   1 
ATOM   949  C CA  . SER A 1 108 ? -36.414 -13.249 -8.544  1.00 17.19 ? 114 SER B CA  1 
ATOM   950  C C   . SER A 1 108 ? -35.521 -13.378 -9.777  1.00 14.57 ? 114 SER B C   1 
ATOM   951  O O   . SER A 1 108 ? -35.930 -13.017 -10.916 1.00 14.29 ? 114 SER B O   1 
ATOM   952  C CB  . SER A 1 108 ? -37.214 -14.482 -8.185  1.00 18.84 ? 114 SER B CB  1 
ATOM   953  O OG  . SER A 1 108 ? -37.917 -15.044 -9.258  1.00 29.25 ? 114 SER B OG  1 
ATOM   954  N N   . TYR A 1 109 ? -34.355 -13.945 -9.560  1.00 12.85 ? 115 TYR B N   1 
ATOM   955  C CA  . TYR A 1 109 ? -33.367 -14.246 -10.619 1.00 11.67 ? 115 TYR B CA  1 
ATOM   956  C C   . TYR A 1 109 ? -33.339 -15.733 -10.876 1.00 11.05 ? 115 TYR B C   1 
ATOM   957  O O   . TYR A 1 109 ? -33.344 -16.535 -9.926  1.00 11.79 ? 115 TYR B O   1 
ATOM   958  C CB  . TYR A 1 109 ? -31.998 -13.716 -10.233 1.00 11.45 ? 115 TYR B CB  1 
ATOM   959  C CG  . TYR A 1 109 ? -31.941 -12.215 -9.982  1.00 11.96 ? 115 TYR B CG  1 
ATOM   960  C CD1 . TYR A 1 109 ? -32.188 -11.660 -8.729  1.00 12.47 ? 115 TYR B CD1 1 
ATOM   961  C CD2 . TYR A 1 109 ? -31.549 -11.349 -10.981 1.00 11.90 ? 115 TYR B CD2 1 
ATOM   962  C CE1 . TYR A 1 109 ? -32.111 -10.284 -8.507  1.00 12.96 ? 115 TYR B CE1 1 
ATOM   963  C CE2 . TYR A 1 109 ? -31.474 -9.977  -10.783 1.00 11.96 ? 115 TYR B CE2 1 
ATOM   964  C CZ  . TYR A 1 109 ? -31.754 -9.445  -9.533  1.00 11.99 ? 115 TYR B CZ  1 
ATOM   965  O OH  . TYR A 1 109 ? -31.751 -8.094  -9.272  1.00 13.56 ? 115 TYR B OH  1 
ATOM   966  N N   A GLU A 1 110 ? -33.316 -16.134 -12.150 0.25 10.65 ? 116 GLU B N   1 
ATOM   967  N N   B GLU A 1 110 ? -33.337 -16.121 -12.157 0.25 10.97 ? 116 GLU B N   1 
ATOM   968  C CA  A GLU A 1 110 ? -33.291 -17.569 -12.540 0.25 10.60 ? 116 GLU B CA  1 
ATOM   969  C CA  B GLU A 1 110 ? -33.319 -17.539 -12.603 0.25 11.10 ? 116 GLU B CA  1 
ATOM   970  C C   A GLU A 1 110 ? -32.364 -17.784 -13.738 0.25 9.68  ? 116 GLU B C   1 
ATOM   971  C C   B GLU A 1 110 ? -32.246 -17.730 -13.683 0.25 9.71  ? 116 GLU B C   1 
ATOM   972  O O   A GLU A 1 110 ? -32.283 -16.915 -14.615 0.25 9.59  ? 116 GLU B O   1 
ATOM   973  O O   B GLU A 1 110 ? -31.885 -16.765 -14.398 0.25 8.86  ? 116 GLU B O   1 
ATOM   974  C CB  A GLU A 1 110 ? -34.696 -18.062 -12.863 0.25 11.53 ? 116 GLU B CB  1 
ATOM   975  C CB  B GLU A 1 110 ? -34.695 -17.953 -13.122 0.25 12.76 ? 116 GLU B CB  1 
ATOM   976  C CG  A GLU A 1 110 ? -35.698 -17.879 -11.726 0.25 13.01 ? 116 GLU B CG  1 
ATOM   977  C CG  B GLU A 1 110 ? -35.819 -17.824 -12.099 0.25 15.20 ? 116 GLU B CG  1 
ATOM   978  C CD  A GLU A 1 110 ? -37.096 -18.326 -12.116 0.25 14.12 ? 116 GLU B CD  1 
ATOM   979  C CD  B GLU A 1 110 ? -36.004 -19.034 -11.196 0.25 16.75 ? 116 GLU B CD  1 
ATOM   980  O OE1 A GLU A 1 110 ? -37.529 -17.979 -13.231 0.25 17.20 ? 116 GLU B OE1 1 
ATOM   981  O OE1 B GLU A 1 110 ? -35.516 -20.131 -11.552 0.25 20.68 ? 116 GLU B OE1 1 
ATOM   982  O OE2 A GLU A 1 110 ? -37.750 -19.030 -11.309 0.25 15.00 ? 116 GLU B OE2 1 
ATOM   983  O OE2 B GLU A 1 110 ? -36.668 -18.882 -10.153 0.25 21.82 ? 116 GLU B OE2 1 
ATOM   984  N N   . ALA A 1 111 ? -31.734 -18.959 -13.789 1.00 9.71  ? 117 ALA B N   1 
ATOM   985  C CA  . ALA A 1 111 ? -30.971 -19.397 -14.977 1.00 9.97  ? 117 ALA B CA  1 
ATOM   986  C C   . ALA A 1 111 ? -31.909 -20.119 -15.917 1.00 10.44 ? 117 ALA B C   1 
ATOM   987  O O   . ALA A 1 111 ? -32.772 -20.913 -15.505 1.00 10.66 ? 117 ALA B O   1 
ATOM   988  C CB  . ALA A 1 111 ? -29.815 -20.312 -14.599 1.00 10.53 ? 117 ALA B CB  1 
ATOM   989  N N   . GLY A 1 112 ? -31.729 -19.858 -17.222 1.00 10.65 ? 118 GLY B N   1 
ATOM   990  C CA  . GLY A 1 112 ? -32.549 -20.447 -18.289 1.00 11.52 ? 118 GLY B CA  1 
ATOM   991  C C   . GLY A 1 112 ? -32.159 -21.865 -18.625 1.00 11.88 ? 118 GLY B C   1 
ATOM   992  O O   . GLY A 1 112 ? -31.898 -22.213 -19.766 1.00 13.85 ? 118 GLY B O   1 
ATOM   993  N N   . THR A 1 113 ? -32.107 -22.765 -17.646 1.00 13.22 ? 119 THR B N   1 
ATOM   994  C CA  . THR A 1 113 ? -32.122 -24.223 -17.852 1.00 14.35 ? 119 THR B CA  1 
ATOM   995  C C   . THR A 1 113 ? -33.555 -24.691 -18.115 1.00 14.77 ? 119 THR B C   1 
ATOM   996  O O   . THR A 1 113 ? -34.468 -23.905 -17.944 1.00 17.17 ? 119 THR B O   1 
ATOM   997  C CB  . THR A 1 113 ? -31.500 -24.851 -16.621 1.00 12.86 ? 119 THR B CB  1 
ATOM   998  O OG1 . THR A 1 113 ? -32.224 -24.405 -15.454 1.00 13.15 ? 119 THR B OG1 1 
ATOM   999  C CG2 . THR A 1 113 ? -30.057 -24.502 -16.423 1.00 14.03 ? 119 THR B CG2 1 
ATOM   1000 N N   . SER A 1 114 ? -33.744 -25.976 -18.447 1.00 18.85 ? 120 SER B N   1 
ATOM   1001 C CA  . SER A 1 114 ? -35.089 -26.556 -18.623 1.00 21.87 ? 120 SER B CA  1 
ATOM   1002 C C   . SER A 1 114 ? -35.238 -27.754 -17.685 1.00 23.01 ? 120 SER B C   1 
ATOM   1003 O O   . SER A 1 114 ? -34.555 -28.770 -17.854 1.00 24.90 ? 120 SER B O   1 
ATOM   1004 C CB  . SER A 1 114 ? -35.354 -26.920 -20.077 1.00 25.98 ? 120 SER B CB  1 
ATOM   1005 O OG  . SER A 1 114 ? -36.704 -27.370 -20.219 1.00 29.81 ? 120 SER B OG  1 
ATOM   1006 N N   . PRO A 1 115 ? -36.007 -27.622 -16.583 1.00 20.49 ? 121 PRO B N   1 
ATOM   1007 C CA  . PRO A 1 115 ? -36.691 -26.396 -16.176 1.00 20.21 ? 121 PRO B CA  1 
ATOM   1008 C C   . PRO A 1 115 ? -35.711 -25.364 -15.572 1.00 16.41 ? 121 PRO B C   1 
ATOM   1009 O O   . PRO A 1 115 ? -34.570 -25.682 -15.279 1.00 15.36 ? 121 PRO B O   1 
ATOM   1010 C CB  . PRO A 1 115 ? -37.690 -26.890 -15.126 1.00 23.81 ? 121 PRO B CB  1 
ATOM   1011 C CG  . PRO A 1 115 ? -36.965 -28.023 -14.477 1.00 24.75 ? 121 PRO B CG  1 
ATOM   1012 C CD  . PRO A 1 115 ? -36.223 -28.715 -15.608 1.00 23.09 ? 121 PRO B CD  1 
ATOM   1013 N N   . GLN A 1 116 ? -36.184 -24.140 -15.362 1.00 15.68 ? 122 GLN B N   1 
ATOM   1014 C CA  . GLN A 1 116 ? -35.337 -23.021 -14.874 1.00 14.93 ? 122 GLN B CA  1 
ATOM   1015 C C   . GLN A 1 116 ? -34.806 -23.303 -13.460 1.00 12.68 ? 122 GLN B C   1 
ATOM   1016 O O   . GLN A 1 116 ? -35.466 -24.043 -12.699 1.00 14.20 ? 122 GLN B O   1 
ATOM   1017 C CB  . GLN A 1 116 ? -36.055 -21.673 -14.975 1.00 19.84 ? 122 GLN B CB  1 
ATOM   1018 C CG  . GLN A 1 116 ? -37.232 -21.504 -14.036 1.00 27.97 ? 122 GLN B CG  1 
ATOM   1019 C CD  . GLN A 1 116 ? -38.576 -21.859 -14.631 1.00 36.67 ? 122 GLN B CD  1 
ATOM   1020 O OE1 . GLN A 1 116 ? -38.712 -22.715 -15.511 1.00 43.83 ? 122 GLN B OE1 1 
ATOM   1021 N NE2 . GLN A 1 116 ? -39.605 -21.207 -14.112 1.00 45.24 ? 122 GLN B NE2 1 
ATOM   1022 N N   . THR A 1 117 ? -33.699 -22.687 -13.142 1.00 11.26 ? 123 THR B N   1 
ATOM   1023 C CA  . THR A 1 117 ? -32.986 -22.880 -11.868 1.00 11.22 ? 123 THR B CA  1 
ATOM   1024 C C   . THR A 1 117 ? -32.993 -21.577 -11.088 1.00 11.63 ? 123 THR B C   1 
ATOM   1025 O O   . THR A 1 117 ? -32.558 -20.545 -11.591 1.00 12.41 ? 123 THR B O   1 
ATOM   1026 C CB  . THR A 1 117 ? -31.551 -23.361 -12.128 1.00 10.81 ? 123 THR B CB  1 
ATOM   1027 O OG1 . THR A 1 117 ? -31.598 -24.582 -12.864 1.00 12.37 ? 123 THR B OG1 1 
ATOM   1028 C CG2 . THR A 1 117 ? -30.780 -23.555 -10.848 1.00 11.70 ? 123 THR B CG2 1 
ATOM   1029 N N   . THR A 1 118 ? -33.400 -21.640 -9.823  1.00 11.60 ? 124 THR B N   1 
ATOM   1030 C CA  . THR A 1 118 ? -33.355 -20.502 -8.905  1.00 12.27 ? 124 THR B CA  1 
ATOM   1031 C C   . THR A 1 118 ? -31.936 -20.020 -8.651  1.00 11.65 ? 124 THR B C   1 
ATOM   1032 O O   . THR A 1 118 ? -31.024 -20.874 -8.382  1.00 13.47 ? 124 THR B O   1 
ATOM   1033 C CB  . THR A 1 118 ? -34.002 -20.946 -7.590  1.00 14.63 ? 124 THR B CB  1 
ATOM   1034 O OG1 . THR A 1 118 ? -35.370 -21.252 -7.834  1.00 17.35 ? 124 THR B OG1 1 
ATOM   1035 C CG2 . THR A 1 118 ? -33.789 -19.907 -6.508  1.00 17.64 ? 124 THR B CG2 1 
ATOM   1036 N N   . LEU A 1 119 ? -31.677 -18.737 -8.753  1.00 10.57 ? 125 LEU B N   1 
ATOM   1037 C CA  . LEU A 1 119 ? -30.396 -18.128 -8.425  1.00 10.20 ? 125 LEU B CA  1 
ATOM   1038 C C   . LEU A 1 119 ? -30.462 -17.527 -7.013  1.00 12.31 ? 125 LEU B C   1 
ATOM   1039 O O   . LEU A 1 119 ? -31.574 -17.248 -6.502  1.00 15.49 ? 125 LEU B O   1 
ATOM   1040 C CB  . LEU A 1 119 ? -29.962 -17.059 -9.447  1.00 10.66 ? 125 LEU B CB  1 
ATOM   1041 C CG  . LEU A 1 119 ? -29.859 -17.580 -10.887 1.00 10.06 ? 125 LEU B CG  1 
ATOM   1042 C CD1 . LEU A 1 119 ? -29.599 -16.452 -11.873 1.00 10.61 ? 125 LEU B CD1 1 
ATOM   1043 C CD2 . LEU A 1 119 ? -28.803 -18.657 -11.036 1.00 11.15 ? 125 LEU B CD2 1 
ATOM   1044 N N   . HIS A 1 120 ? -29.314 -17.421 -6.377  1.00 12.13 ? 126 HIS B N   1 
ATOM   1045 C CA  . HIS A 1 120 ? -29.172 -16.952 -4.972  1.00 12.51 ? 126 HIS B CA  1 
ATOM   1046 C C   . HIS A 1 120 ? -28.329 -15.693 -4.987  1.00 13.60 ? 126 HIS B C   1 
ATOM   1047 O O   . HIS A 1 120 ? -27.089 -15.736 -5.077  1.00 18.51 ? 126 HIS B O   1 
ATOM   1048 C CB  . HIS A 1 120 ? -28.532 -18.047 -4.091  1.00 13.27 ? 126 HIS B CB  1 
ATOM   1049 C CG  . HIS A 1 120 ? -29.299 -19.317 -4.054  1.00 13.76 ? 126 HIS B CG  1 
ATOM   1050 N ND1 . HIS A 1 120 ? -28.984 -20.378 -4.891  1.00 15.83 ? 126 HIS B ND1 1 
ATOM   1051 C CD2 . HIS A 1 120 ? -30.360 -19.700 -3.345  1.00 15.61 ? 126 HIS B CD2 1 
ATOM   1052 C CE1 . HIS A 1 120 ? -29.839 -21.354 -4.659  1.00 16.06 ? 126 HIS B CE1 1 
ATOM   1053 N NE2 . HIS A 1 120 ? -30.679 -20.992 -3.708  1.00 15.44 ? 126 HIS B NE2 1 
ATOM   1054 N N   . ILE A 1 121 ? -28.985 -14.546 -4.990  1.00 16.21 ? 127 ILE B N   1 
ATOM   1055 C CA  . ILE A 1 121 ? -28.330 -13.216 -5.134  1.00 18.69 ? 127 ILE B CA  1 
ATOM   1056 C C   . ILE A 1 121 ? -28.773 -12.367 -3.915  1.00 18.09 ? 127 ILE B C   1 
ATOM   1057 O O   . ILE A 1 121 ? -29.963 -12.122 -3.708  1.00 24.80 ? 127 ILE B O   1 
ATOM   1058 C CB  . ILE A 1 121 ? -28.655 -12.570 -6.509  1.00 20.39 ? 127 ILE B CB  1 
ATOM   1059 C CG1 . ILE A 1 121 ? -28.181 -13.449 -7.684  1.00 19.05 ? 127 ILE B CG1 1 
ATOM   1060 C CG2 . ILE A 1 121 ? -28.100 -11.143 -6.532  1.00 24.51 ? 127 ILE B CG2 1 
ATOM   1061 C CD1 . ILE A 1 121 ? -28.404 -12.883 -9.082  1.00 19.07 ? 127 ILE B CD1 1 
ATOM   1062 N N   . GLN A 1 122 ? -27.818 -12.024 -3.084  1.00 19.60 ? 128 GLN B N   1 
ATOM   1063 C CA  . GLN A 1 122 ? -28.034 -11.220 -1.846  1.00 21.31 ? 128 GLN B CA  1 
ATOM   1064 C C   . GLN A 1 122 ? -28.020 -9.732  -2.197  1.00 21.54 ? 128 GLN B C   1 
ATOM   1065 O O   . GLN A 1 122 ? -28.792 -8.961  -1.561  1.00 21.86 ? 128 GLN B O   1 
ATOM   1066 C CB  . GLN A 1 122 ? -26.919 -11.553 -0.846  1.00 23.36 ? 128 GLN B CB  1 
ATOM   1067 C CG  . GLN A 1 122 ? -26.961 -10.747 0.455   1.00 28.30 ? 128 GLN B CG  1 
ATOM   1068 C CD  . GLN A 1 122 ? -28.231 -10.973 1.247   1.00 31.83 ? 128 GLN B CD  1 
ATOM   1069 O OE1 . GLN A 1 122 ? -28.848 -12.036 1.193   1.00 38.01 ? 128 GLN B OE1 1 
ATOM   1070 N NE2 . GLN A 1 122 ? -28.625 -9.968  2.016   1.00 35.20 ? 128 GLN B NE2 1 
ATOM   1071 N N   . VAL A 1 123 ? -27.206 -9.340  -3.174  1.00 18.66 ? 129 VAL B N   1 
ATOM   1072 C CA  . VAL A 1 123 ? -27.022 -7.909  -3.591  1.00 18.48 ? 129 VAL B CA  1 
ATOM   1073 C C   . VAL A 1 123 ? -27.560 -7.744  -5.006  1.00 17.73 ? 129 VAL B C   1 
ATOM   1074 O O   . VAL A 1 123 ? -26.893 -8.197  -5.955  1.00 16.19 ? 129 VAL B O   1 
ATOM   1075 C CB  . VAL A 1 123 ? -25.547 -7.494  -3.531  1.00 18.95 ? 129 VAL B CB  1 
ATOM   1076 C CG1 . VAL A 1 123 ? -25.336 -6.056  -4.047  1.00 20.15 ? 129 VAL B CG1 1 
ATOM   1077 C CG2 . VAL A 1 123 ? -24.998 -7.607  -2.106  1.00 20.79 ? 129 VAL B CG2 1 
ATOM   1078 N N   . PRO A 1 124 ? -28.786 -7.220  -5.222  1.00 16.06 ? 130 PRO B N   1 
ATOM   1079 C CA  . PRO A 1 124 ? -29.321 -7.108  -6.582  1.00 16.32 ? 130 PRO B CA  1 
ATOM   1080 C C   . PRO A 1 124 ? -28.328 -6.397  -7.482  1.00 15.30 ? 130 PRO B C   1 
ATOM   1081 O O   . PRO A 1 124 ? -27.818 -5.318  -7.196  1.00 16.18 ? 130 PRO B O   1 
ATOM   1082 C CB  . PRO A 1 124 ? -30.607 -6.284  -6.372  1.00 18.81 ? 130 PRO B CB  1 
ATOM   1083 C CG  . PRO A 1 124 ? -31.037 -6.696  -4.968  1.00 20.20 ? 130 PRO B CG  1 
ATOM   1084 C CD  . PRO A 1 124 ? -29.750 -6.757  -4.198  1.00 18.63 ? 130 PRO B CD  1 
ATOM   1085 N N   . PRO A 1 125 ? -27.926 -7.016  -8.611  1.00 14.55 ? 131 PRO B N   1 
ATOM   1086 C CA  . PRO A 1 125 ? -26.929 -6.422  -9.469  1.00 13.77 ? 131 PRO B CA  1 
ATOM   1087 C C   . PRO A 1 125 ? -27.441 -5.205  -10.254 1.00 13.81 ? 131 PRO B C   1 
ATOM   1088 O O   . PRO A 1 125 ? -28.524 -5.236  -10.791 1.00 14.32 ? 131 PRO B O   1 
ATOM   1089 C CB  . PRO A 1 125 ? -26.495 -7.582  -10.398 1.00 14.41 ? 131 PRO B CB  1 
ATOM   1090 C CG  . PRO A 1 125 ? -27.641 -8.520  -10.358 1.00 16.82 ? 131 PRO B CG  1 
ATOM   1091 C CD  . PRO A 1 125 ? -28.273 -8.393  -9.000  1.00 15.02 ? 131 PRO B CD  1 
ATOM   1092 N N   . CYS A 1 126 ? -26.568 -4.214  -10.350 1.00 13.96 ? 132 CYS B N   1 
ATOM   1093 C CA  . CYS A 1 126 ? -26.759 -3.103  -11.313 1.00 13.80 ? 132 CYS B CA  1 
ATOM   1094 C C   . CYS A 1 126 ? -25.963 -3.336  -12.598 1.00 13.22 ? 132 CYS B C   1 
ATOM   1095 O O   . CYS A 1 126 ? -26.270 -2.722  -13.623 1.00 12.95 ? 132 CYS B O   1 
ATOM   1096 C CB  . CYS A 1 126 ? -26.388 -1.761  -10.703 1.00 16.71 ? 132 CYS B CB  1 
ATOM   1097 S SG  . CYS A 1 126 ? -27.383 -1.333  -9.239  1.00 24.39 ? 132 CYS B SG  1 
ATOM   1098 N N   A GLN A 1 127 ? -24.886 -4.137  -12.556 0.25 13.32 ? 133 GLN B N   1 
ATOM   1099 N N   B GLN A 1 127 ? -25.009 -4.263  -12.532 0.25 13.72 ? 133 GLN B N   1 
ATOM   1100 C CA  A GLN A 1 127 ? -24.152 -4.552  -13.785 0.25 13.39 ? 133 GLN B CA  1 
ATOM   1101 C CA  B GLN A 1 127 ? -24.125 -4.592  -13.669 0.25 14.43 ? 133 GLN B CA  1 
ATOM   1102 C C   A GLN A 1 127 ? -23.776 -6.032  -13.670 0.25 12.09 ? 133 GLN B C   1 
ATOM   1103 C C   B GLN A 1 127 ? -23.883 -6.101  -13.627 0.25 12.74 ? 133 GLN B C   1 
ATOM   1104 O O   A GLN A 1 127 ? -23.350 -6.471  -12.568 0.25 11.18 ? 133 GLN B O   1 
ATOM   1105 O O   B GLN A 1 127 ? -23.760 -6.663  -12.511 0.25 11.86 ? 133 GLN B O   1 
ATOM   1106 C CB  A GLN A 1 127 ? -22.866 -3.766  -14.073 0.25 14.80 ? 133 GLN B CB  1 
ATOM   1107 C CB  B GLN A 1 127 ? -22.834 -3.777  -13.594 0.25 16.99 ? 133 GLN B CB  1 
ATOM   1108 C CG  A GLN A 1 127 ? -23.046 -2.273  -14.320 0.25 16.07 ? 133 GLN B CG  1 
ATOM   1109 C CG  B GLN A 1 127 ? -23.036 -2.277  -13.744 0.25 18.87 ? 133 GLN B CG  1 
ATOM   1110 C CD  A GLN A 1 127 ? -22.926 -1.489  -13.037 0.25 17.90 ? 133 GLN B CD  1 
ATOM   1111 C CD  B GLN A 1 127 ? -21.791 -1.564  -14.210 0.25 21.21 ? 133 GLN B CD  1 
ATOM   1112 O OE1 A GLN A 1 127 ? -22.140 -1.831  -12.155 0.25 18.34 ? 133 GLN B OE1 1 
ATOM   1113 O OE1 B GLN A 1 127 ? -20.749 -2.172  -14.446 0.25 25.76 ? 133 GLN B OE1 1 
ATOM   1114 N NE2 A GLN A 1 127 ? -23.732 -0.445  -12.912 0.25 18.19 ? 133 GLN B NE2 1 
ATOM   1115 N NE2 B GLN A 1 127 ? -21.896 -0.257  -14.346 0.25 23.68 ? 133 GLN B NE2 1 
ATOM   1116 N N   . ILE A 1 128 ? -23.920 -6.734  -14.802 1.00 11.48 ? 134 ILE B N   1 
ATOM   1117 C CA  . ILE A 1 128 ? -23.708 -8.202  -14.971 1.00 11.17 ? 134 ILE B CA  1 
ATOM   1118 C C   . ILE A 1 128 ? -22.476 -8.355  -15.864 1.00 11.78 ? 134 ILE B C   1 
ATOM   1119 O O   . ILE A 1 128 ? -22.412 -7.746  -16.958 1.00 11.71 ? 134 ILE B O   1 
ATOM   1120 C CB  . ILE A 1 128 ? -24.952 -8.854  -15.603 1.00 11.84 ? 134 ILE B CB  1 
ATOM   1121 C CG1 . ILE A 1 128 ? -26.258 -8.666  -14.797 1.00 14.15 ? 134 ILE B CG1 1 
ATOM   1122 C CG2 . ILE A 1 128 ? -24.685 -10.345 -15.883 1.00 12.58 ? 134 ILE B CG2 1 
ATOM   1123 C CD1 . ILE A 1 128 ? -26.289 -9.442  -13.546 1.00 14.04 ? 134 ILE B CD1 1 
ATOM   1124 N N   . GLY A 1 129 ? -21.541 -9.235  -15.474 1.00 11.23 ? 135 GLY B N   1 
ATOM   1125 C CA  . GLY A 1 129 ? -20.461 -9.685  -16.354 1.00 10.57 ? 135 GLY B CA  1 
ATOM   1126 C C   . GLY A 1 129 ? -20.766 -11.046 -16.940 1.00 10.66 ? 135 GLY B C   1 
ATOM   1127 O O   . GLY A 1 129 ? -21.301 -11.910 -16.254 1.00 11.13 ? 135 GLY B O   1 
ATOM   1128 N N   . ILE A 1 130 ? -20.457 -11.213 -18.222 1.00 10.87 ? 136 ILE B N   1 
ATOM   1129 C CA  . ILE A 1 130 ? -20.723 -12.463 -18.984 1.00 10.55 ? 136 ILE B CA  1 
ATOM   1130 C C   . ILE A 1 130 ? -19.402 -12.949 -19.580 1.00 10.54 ? 136 ILE B C   1 
ATOM   1131 O O   . ILE A 1 130 ? -18.698 -12.196 -20.267 1.00 11.05 ? 136 ILE B O   1 
ATOM   1132 C CB  . ILE A 1 130 ? -21.767 -12.225 -20.086 1.00 11.34 ? 136 ILE B CB  1 
ATOM   1133 C CG1 . ILE A 1 130 ? -23.047 -11.698 -19.450 1.00 12.12 ? 136 ILE B CG1 1 
ATOM   1134 C CG2 . ILE A 1 130 ? -22.030 -13.516 -20.863 1.00 13.15 ? 136 ILE B CG2 1 
ATOM   1135 C CD1 . ILE A 1 130 ? -24.052 -11.305 -20.423 1.00 14.85 ? 136 ILE B CD1 1 
ATOM   1136 N N   . PHE A 1 131 ? -19.042 -14.181 -19.216 1.00 10.14 ? 137 PHE B N   1 
ATOM   1137 C CA  . PHE A 1 131 ? -17.803 -14.827 -19.695 1.00 10.43 ? 137 PHE B CA  1 
ATOM   1138 C C   . PHE A 1 131 ? -18.167 -16.075 -20.491 1.00 10.01 ? 137 PHE B C   1 
ATOM   1139 O O   . PHE A 1 131 ? -18.946 -16.910 -20.025 1.00 10.68 ? 137 PHE B O   1 
ATOM   1140 C CB  . PHE A 1 131 ? -16.928 -15.235 -18.520 1.00 11.70 ? 137 PHE B CB  1 
ATOM   1141 C CG  . PHE A 1 131 ? -15.683 -16.001 -18.876 1.00 13.26 ? 137 PHE B CG  1 
ATOM   1142 C CD1 . PHE A 1 131 ? -14.675 -15.370 -19.555 1.00 14.31 ? 137 PHE B CD1 1 
ATOM   1143 C CD2 . PHE A 1 131 ? -15.521 -17.324 -18.526 1.00 14.89 ? 137 PHE B CD2 1 
ATOM   1144 C CE1 . PHE A 1 131 ? -13.512 -16.070 -19.890 1.00 16.87 ? 137 PHE B CE1 1 
ATOM   1145 C CE2 . PHE A 1 131 ? -14.372 -18.030 -18.875 1.00 16.97 ? 137 PHE B CE2 1 
ATOM   1146 C CZ  . PHE A 1 131 ? -13.370 -17.384 -19.543 1.00 15.89 ? 137 PHE B CZ  1 
ATOM   1147 N N   . VAL A 1 132 ? -17.595 -16.195 -21.683 1.00 10.45 ? 138 VAL B N   1 
ATOM   1148 C CA  . VAL A 1 132 ? -17.749 -17.372 -22.573 1.00 10.89 ? 138 VAL B CA  1 
ATOM   1149 C C   . VAL A 1 132 ? -16.368 -17.955 -22.857 1.00 9.99  ? 138 VAL B C   1 
ATOM   1150 O O   . VAL A 1 132 ? -15.472 -17.240 -23.320 1.00 11.49 ? 138 VAL B O   1 
ATOM   1151 C CB  . VAL A 1 132 ? -18.484 -17.021 -23.864 1.00 11.54 ? 138 VAL B CB  1 
ATOM   1152 C CG1 . VAL A 1 132 ? -18.603 -18.248 -24.752 1.00 13.57 ? 138 VAL B CG1 1 
ATOM   1153 C CG2 . VAL A 1 132 ? -19.861 -16.406 -23.579 1.00 13.06 ? 138 VAL B CG2 1 
ATOM   1154 N N   . ASP A 1 133 ? -16.231 -19.235 -22.555 1.00 10.34 ? 139 ASP B N   1 
ATOM   1155 C CA  . ASP A 1 133 ? -15.043 -20.037 -22.983 1.00 11.86 ? 139 ASP B CA  1 
ATOM   1156 C C   . ASP A 1 133 ? -15.537 -21.052 -24.011 1.00 10.78 ? 139 ASP B C   1 
ATOM   1157 O O   . ASP A 1 133 ? -16.152 -22.040 -23.655 1.00 11.40 ? 139 ASP B O   1 
ATOM   1158 C CB  . ASP A 1 133 ? -14.327 -20.658 -21.797 1.00 12.96 ? 139 ASP B CB  1 
ATOM   1159 C CG  . ASP A 1 133 ? -13.059 -21.440 -22.148 1.00 14.86 ? 139 ASP B CG  1 
ATOM   1160 O OD1 . ASP A 1 133 ? -12.914 -21.867 -23.330 1.00 15.66 ? 139 ASP B OD1 1 
ATOM   1161 O OD2 . ASP A 1 133 ? -12.249 -21.582 -21.170 1.00 18.62 ? 139 ASP B OD2 1 
ATOM   1162 N N   . TYR A 1 134 ? -15.299 -20.742 -25.293 1.00 11.61 ? 140 TYR B N   1 
ATOM   1163 C CA  . TYR A 1 134 ? -15.862 -21.577 -26.370 1.00 11.80 ? 140 TYR B CA  1 
ATOM   1164 C C   . TYR A 1 134 ? -15.348 -23.029 -26.290 1.00 12.17 ? 140 TYR B C   1 
ATOM   1165 O O   . TYR A 1 134 ? -16.090 -23.964 -26.280 1.00 13.34 ? 140 TYR B O   1 
ATOM   1166 C CB  . TYR A 1 134 ? -15.613 -20.928 -27.743 1.00 11.69 ? 140 TYR B CB  1 
ATOM   1167 C CG  . TYR A 1 134 ? -16.532 -21.535 -28.784 1.00 12.24 ? 140 TYR B CG  1 
ATOM   1168 C CD1 . TYR A 1 134 ? -16.319 -22.798 -29.336 1.00 12.56 ? 140 TYR B CD1 1 
ATOM   1169 C CD2 . TYR A 1 134 ? -17.679 -20.868 -29.188 1.00 12.16 ? 140 TYR B CD2 1 
ATOM   1170 C CE1 . TYR A 1 134 ? -17.223 -23.374 -30.204 1.00 12.35 ? 140 TYR B CE1 1 
ATOM   1171 C CE2 . TYR A 1 134 ? -18.573 -21.418 -30.092 1.00 11.85 ? 140 TYR B CE2 1 
ATOM   1172 C CZ  . TYR A 1 134 ? -18.358 -22.676 -30.623 1.00 11.98 ? 140 TYR B CZ  1 
ATOM   1173 O OH  . TYR A 1 134 ? -19.245 -23.263 -31.465 1.00 12.18 ? 140 TYR B OH  1 
ATOM   1174 N N   . GLU A 1 135 ? -14.054 -23.140 -26.157 1.00 13.87 ? 141 GLU B N   1 
ATOM   1175 C CA  . GLU A 1 135 ? -13.406 -24.476 -26.219 1.00 14.67 ? 141 GLU B CA  1 
ATOM   1176 C C   . GLU A 1 135 ? -13.840 -25.308 -25.026 1.00 14.61 ? 141 GLU B C   1 
ATOM   1177 O O   . GLU A 1 135 ? -14.172 -26.486 -25.195 1.00 16.63 ? 141 GLU B O   1 
ATOM   1178 C CB  . GLU A 1 135 ? -11.888 -24.336 -26.208 1.00 16.94 ? 141 GLU B CB  1 
ATOM   1179 C CG  . GLU A 1 135 ? -11.283 -23.969 -27.554 1.00 24.74 ? 141 GLU B CG  1 
ATOM   1180 C CD  . GLU A 1 135 ? -11.840 -22.794 -28.268 1.00 29.44 ? 141 GLU B CD  1 
ATOM   1181 O OE1 . GLU A 1 135 ? -12.241 -22.975 -29.388 1.00 23.73 ? 141 GLU B OE1 1 
ATOM   1182 O OE2 . GLU A 1 135 ? -11.875 -21.702 -27.665 1.00 33.57 ? 141 GLU B OE2 1 
ATOM   1183 N N   . ALA A 1 136 ? -13.915 -24.707 -23.841 1.00 12.91 ? 142 ALA B N   1 
ATOM   1184 C CA  . ALA A 1 136 ? -14.278 -25.432 -22.618 1.00 13.60 ? 142 ALA B CA  1 
ATOM   1185 C C   . ALA A 1 136 ? -15.780 -25.717 -22.567 1.00 13.75 ? 142 ALA B C   1 
ATOM   1186 O O   . ALA A 1 136 ? -16.201 -26.563 -21.762 1.00 16.14 ? 142 ALA B O   1 
ATOM   1187 C CB  . ALA A 1 136 ? -13.845 -24.665 -21.393 1.00 15.60 ? 142 ALA B CB  1 
ATOM   1188 N N   . GLY A 1 137 ? -16.622 -25.039 -23.345 1.00 12.02 ? 143 GLY B N   1 
ATOM   1189 C CA  . GLY A 1 137 ? -18.071 -25.191 -23.230 1.00 11.78 ? 143 GLY B CA  1 
ATOM   1190 C C   . GLY A 1 137 ? -18.634 -24.567 -21.939 1.00 10.47 ? 143 GLY B C   1 
ATOM   1191 O O   . GLY A 1 137 ? -19.415 -25.251 -21.266 1.00 11.16 ? 143 GLY B O   1 
ATOM   1192 N N   . VAL A 1 138 ? -18.224 -23.337 -21.640 1.00 11.37 ? 144 VAL B N   1 
ATOM   1193 C CA  . VAL A 1 138 ? -18.638 -22.647 -20.383 1.00 11.01 ? 144 VAL B CA  1 
ATOM   1194 C C   . VAL A 1 138 ? -19.216 -21.283 -20.710 1.00 10.24 ? 144 VAL B C   1 
ATOM   1195 O O   . VAL A 1 138 ? -18.628 -20.518 -21.478 1.00 10.98 ? 144 VAL B O   1 
ATOM   1196 C CB  . VAL A 1 138 ? -17.411 -22.500 -19.462 1.00 11.71 ? 144 VAL B CB  1 
ATOM   1197 C CG1 . VAL A 1 138 ? -17.689 -21.521 -18.304 1.00 12.70 ? 144 VAL B CG1 1 
ATOM   1198 C CG2 . VAL A 1 138 ? -16.965 -23.875 -18.976 1.00 13.23 ? 144 VAL B CG2 1 
ATOM   1199 N N   . VAL A 1 139 ? -20.299 -20.967 -20.006 1.00 10.39 ? 145 VAL B N   1 
ATOM   1200 C CA  . VAL A 1 139 ? -20.860 -19.585 -19.963 1.00 9.97  ? 145 VAL B CA  1 
ATOM   1201 C C   . VAL A 1 139 ? -21.084 -19.235 -18.480 1.00 9.67  ? 145 VAL B C   1 
ATOM   1202 O O   . VAL A 1 139 ? -21.850 -19.961 -17.814 1.00 10.43 ? 145 VAL B O   1 
ATOM   1203 C CB  . VAL A 1 139 ? -22.183 -19.480 -20.738 1.00 9.65  ? 145 VAL B CB  1 
ATOM   1204 C CG1 . VAL A 1 139 ? -22.689 -18.043 -20.724 1.00 10.19 ? 145 VAL B CG1 1 
ATOM   1205 C CG2 . VAL A 1 139 ? -22.068 -19.998 -22.164 1.00 10.48 ? 145 VAL B CG2 1 
ATOM   1206 N N   . SER A 1 140 ? -20.431 -18.201 -18.003 1.00 9.28  ? 146 SER B N   1 
ATOM   1207 C CA  . SER A 1 140 ? -20.549 -17.781 -16.593 1.00 10.04 ? 146 SER B CA  1 
ATOM   1208 C C   . SER A 1 140 ? -21.011 -16.334 -16.477 1.00 9.67  ? 146 SER B C   1 
ATOM   1209 O O   . SER A 1 140 ? -20.722 -15.506 -17.338 1.00 10.68 ? 146 SER B O   1 
ATOM   1210 C CB  . SER A 1 140 ? -19.243 -17.983 -15.837 1.00 10.23 ? 146 SER B CB  1 
ATOM   1211 O OG  . SER A 1 140 ? -18.865 -19.353 -15.768 1.00 11.95 ? 146 SER B OG  1 
ATOM   1212 N N   . PHE A 1 141 ? -21.698 -16.061 -15.376 1.00 9.41  ? 147 PHE B N   1 
ATOM   1213 C CA  . PHE A 1 141 ? -22.334 -14.768 -15.073 1.00 9.90  ? 147 PHE B CA  1 
ATOM   1214 C C   . PHE A 1 141 ? -21.796 -14.307 -13.732 1.00 9.92  ? 147 PHE B C   1 
ATOM   1215 O O   . PHE A 1 141 ? -21.818 -15.111 -12.750 1.00 10.03 ? 147 PHE B O   1 
ATOM   1216 C CB  . PHE A 1 141 ? -23.868 -14.883 -15.066 1.00 9.81  ? 147 PHE B CB  1 
ATOM   1217 C CG  . PHE A 1 141 ? -24.461 -15.284 -16.391 1.00 9.64  ? 147 PHE B CG  1 
ATOM   1218 C CD1 . PHE A 1 141 ? -24.501 -16.611 -16.795 1.00 9.53  ? 147 PHE B CD1 1 
ATOM   1219 C CD2 . PHE A 1 141 ? -24.972 -14.317 -17.258 1.00 9.67  ? 147 PHE B CD2 1 
ATOM   1220 C CE1 . PHE A 1 141 ? -25.011 -16.962 -18.047 1.00 9.83  ? 147 PHE B CE1 1 
ATOM   1221 C CE2 . PHE A 1 141 ? -25.461 -14.691 -18.511 1.00 9.40  ? 147 PHE B CE2 1 
ATOM   1222 C CZ  . PHE A 1 141 ? -25.500 -16.004 -18.900 1.00 9.41  ? 147 PHE B CZ  1 
ATOM   1223 N N   . TYR A 1 142 ? -21.503 -13.019 -13.636 1.00 9.99  ? 148 TYR B N   1 
ATOM   1224 C CA  . TYR A 1 142 ? -20.846 -12.417 -12.455 1.00 11.08 ? 148 TYR B CA  1 
ATOM   1225 C C   . TYR A 1 142 ? -21.635 -11.181 -12.037 1.00 11.62 ? 148 TYR B C   1 
ATOM   1226 O O   . TYR A 1 142 ? -22.082 -10.360 -12.856 1.00 11.68 ? 148 TYR B O   1 
ATOM   1227 C CB  . TYR A 1 142 ? -19.379 -12.092 -12.695 1.00 11.73 ? 148 TYR B CB  1 
ATOM   1228 C CG  . TYR A 1 142 ? -18.575 -13.332 -12.980 1.00 12.00 ? 148 TYR B CG  1 
ATOM   1229 C CD1 . TYR A 1 142 ? -18.094 -14.144 -11.966 1.00 12.95 ? 148 TYR B CD1 1 
ATOM   1230 C CD2 . TYR A 1 142 ? -18.371 -13.784 -14.279 1.00 12.80 ? 148 TYR B CD2 1 
ATOM   1231 C CE1 . TYR A 1 142 ? -17.423 -15.333 -12.228 1.00 13.20 ? 148 TYR B CE1 1 
ATOM   1232 C CE2 . TYR A 1 142 ? -17.681 -14.954 -14.558 1.00 13.66 ? 148 TYR B CE2 1 
ATOM   1233 C CZ  . TYR A 1 142 ? -17.163 -15.721 -13.530 1.00 13.55 ? 148 TYR B CZ  1 
ATOM   1234 O OH  . TYR A 1 142 ? -16.510 -16.905 -13.810 1.00 15.21 ? 148 TYR B OH  1 
ATOM   1235 N N   . ASN A 1 143 ? -21.691 -10.955 -10.727 1.00 12.62 ? 149 ASN B N   1 
ATOM   1236 C CA  . ASN A 1 143 ? -22.375 -9.794  -10.097 1.00 12.14 ? 149 ASN B CA  1 
ATOM   1237 C C   . ASN A 1 143 ? -21.336 -8.687  -9.917  1.00 12.05 ? 149 ASN B C   1 
ATOM   1238 O O   . ASN A 1 143 ? -20.585 -8.703  -8.906  1.00 14.66 ? 149 ASN B O   1 
ATOM   1239 C CB  . ASN A 1 143 ? -23.001 -10.250 -8.778  1.00 11.78 ? 149 ASN B CB  1 
ATOM   1240 C CG  . ASN A 1 143 ? -23.824 -9.145  -8.124  1.00 12.93 ? 149 ASN B CG  1 
ATOM   1241 O OD1 . ASN A 1 143 ? -23.648 -7.962  -8.480  1.00 14.42 ? 149 ASN B OD1 1 
ATOM   1242 N ND2 . ASN A 1 143 ? -24.725 -9.537  -7.266  1.00 14.07 ? 149 ASN B ND2 1 
ATOM   1243 N N   . ILE A 1 144 ? -21.250 -7.697  -10.817 1.00 13.51 ? 150 ILE B N   1 
ATOM   1244 C CA  . ILE A 1 144 ? -20.193 -6.667  -10.752 1.00 15.10 ? 150 ILE B CA  1 
ATOM   1245 C C   . ILE A 1 144 ? -20.456 -5.783  -9.521  1.00 15.94 ? 150 ILE B C   1 
ATOM   1246 O O   . ILE A 1 144 ? -19.464 -5.325  -8.904  1.00 18.43 ? 150 ILE B O   1 
ATOM   1247 C CB  . ILE A 1 144 ? -20.171 -5.860  -12.056 1.00 15.08 ? 150 ILE B CB  1 
ATOM   1248 C CG1 . ILE A 1 144 ? -19.963 -6.763  -13.280 1.00 16.05 ? 150 ILE B CG1 1 
ATOM   1249 C CG2 . ILE A 1 144 ? -19.169 -4.727  -12.008 1.00 17.06 ? 150 ILE B CG2 1 
ATOM   1250 C CD1 . ILE A 1 144 ? -18.928 -7.831  -13.108 1.00 19.18 ? 150 ILE B CD1 1 
ATOM   1251 N N   . THR A 1 145 ? -21.704 -5.578  -9.127  1.00 15.67 ? 151 THR B N   1 
ATOM   1252 C CA  . THR A 1 145 ? -22.096 -4.724  -7.957  1.00 16.73 ? 151 THR B CA  1 
ATOM   1253 C C   . THR A 1 145 ? -21.550 -5.366  -6.680  1.00 19.48 ? 151 THR B C   1 
ATOM   1254 O O   . THR A 1 145 ? -21.130 -4.609  -5.772  1.00 23.91 ? 151 THR B O   1 
ATOM   1255 C CB  . THR A 1 145 ? -23.623 -4.579  -7.931  1.00 15.50 ? 151 THR B CB  1 
ATOM   1256 O OG1 . THR A 1 145 ? -24.053 -4.100  -9.204  1.00 16.32 ? 151 THR B OG1 1 
ATOM   1257 C CG2 . THR A 1 145 ? -24.089 -3.614  -6.854  1.00 17.35 ? 151 THR B CG2 1 
ATOM   1258 N N   . ASP A 1 146 ? -21.479 -6.691  -6.593  1.00 17.90 ? 152 ASP B N   1 
ATOM   1259 C CA  . ASP A 1 146 ? -20.979 -7.447  -5.412  1.00 19.09 ? 152 ASP B CA  1 
ATOM   1260 C C   . ASP A 1 146 ? -19.563 -7.985  -5.659  1.00 19.22 ? 152 ASP B C   1 
ATOM   1261 O O   . ASP A 1 146 ? -19.376 -9.196  -5.498  1.00 20.04 ? 152 ASP B O   1 
ATOM   1262 C CB  . ASP A 1 146 ? -21.990 -8.498  -5.037  1.00 18.40 ? 152 ASP B CB  1 
ATOM   1263 C CG  . ASP A 1 146 ? -21.592 -9.278  -3.813  1.00 22.81 ? 152 ASP B CG  1 
ATOM   1264 O OD1 . ASP A 1 146 ? -21.143 -8.643  -2.835  1.00 24.83 ? 152 ASP B OD1 1 
ATOM   1265 O OD2 . ASP A 1 146 ? -21.725 -10.494 -3.872  1.00 23.10 ? 152 ASP B OD2 1 
ATOM   1266 N N   . HIS A 1 147 ? -18.635 -7.126  -6.069  1.00 21.74 ? 153 HIS B N   1 
ATOM   1267 C CA  . HIS A 1 147 ? -17.185 -7.437  -6.193  1.00 25.06 ? 153 HIS B CA  1 
ATOM   1268 C C   . HIS A 1 147 ? -17.005 -8.652  -7.111  1.00 22.82 ? 153 HIS B C   1 
ATOM   1269 O O   . HIS A 1 147 ? -16.135 -9.483  -6.867  1.00 24.78 ? 153 HIS B O   1 
ATOM   1270 C CB  . HIS A 1 147 ? -16.512 -7.767  -4.846  1.00 30.59 ? 153 HIS B CB  1 
ATOM   1271 C CG  . HIS A 1 147 ? -16.820 -6.887  -3.677  1.00 37.61 ? 153 HIS B CG  1 
ATOM   1272 N ND1 . HIS A 1 147 ? -16.143 -5.707  -3.442  1.00 44.14 ? 153 HIS B ND1 1 
ATOM   1273 C CD2 . HIS A 1 147 ? -17.663 -7.059  -2.632  1.00 41.68 ? 153 HIS B CD2 1 
ATOM   1274 C CE1 . HIS A 1 147 ? -16.590 -5.158  -2.327  1.00 46.70 ? 153 HIS B CE1 1 
ATOM   1275 N NE2 . HIS A 1 147 ? -17.527 -5.972  -1.806  1.00 44.26 ? 153 HIS B NE2 1 
ATOM   1276 N N   . GLY A 1 148 ? -17.857 -8.812  -8.112  1.00 18.27 ? 154 GLY B N   1 
ATOM   1277 C CA  . GLY A 1 148 ? -17.616 -9.839  -9.142  1.00 16.34 ? 154 GLY B CA  1 
ATOM   1278 C C   . GLY A 1 148 ? -18.031 -11.223 -8.703  1.00 14.54 ? 154 GLY B C   1 
ATOM   1279 O O   . GLY A 1 148 ? -17.512 -12.158 -9.314  1.00 15.62 ? 154 GLY B O   1 
ATOM   1280 N N   . SER A 1 149 ? -18.855 -11.385 -7.708  1.00 14.58 ? 155 SER B N   1 
ATOM   1281 C CA  . SER A 1 149 ? -19.209 -12.714 -7.185  1.00 13.05 ? 155 SER B CA  1 
ATOM   1282 C C   . SER A 1 149 ? -19.904 -13.544 -8.279  1.00 12.93 ? 155 SER B C   1 
ATOM   1283 O O   . SER A 1 149 ? -20.706 -13.009 -9.104  1.00 12.97 ? 155 SER B O   1 
ATOM   1284 C CB  . SER A 1 149 ? -20.087 -12.608 -5.955  1.00 14.11 ? 155 SER B CB  1 
ATOM   1285 O OG  . SER A 1 149 ? -21.265 -11.822 -6.156  1.00 15.23 ? 155 SER B OG  1 
ATOM   1286 N N   . LEU A 1 150 ? -19.701 -14.842 -8.289  1.00 11.93 ? 156 LEU B N   1 
ATOM   1287 C CA  . LEU A 1 150 ? -20.351 -15.744 -9.268  1.00 11.02 ? 156 LEU B CA  1 
ATOM   1288 C C   . LEU A 1 150 ? -21.847 -15.810 -9.036  1.00 10.73 ? 156 LEU B C   1 
ATOM   1289 O O   . LEU A 1 150 ? -22.365 -16.023 -7.903  1.00 11.62 ? 156 LEU B O   1 
ATOM   1290 C CB  . LEU A 1 150 ? -19.739 -17.145 -9.125  1.00 11.75 ? 156 LEU B CB  1 
ATOM   1291 C CG  . LEU A 1 150 ? -20.305 -18.199 -10.099 1.00 11.49 ? 156 LEU B CG  1 
ATOM   1292 C CD1 . LEU A 1 150 ? -19.913 -17.913 -11.542 1.00 11.91 ? 156 LEU B CD1 1 
ATOM   1293 C CD2 . LEU A 1 150 ? -19.774 -19.597 -9.715  1.00 12.38 ? 156 LEU B CD2 1 
ATOM   1294 N N   . ILE A 1 151 ? -22.613 -15.665 -10.140 1.00 10.30 ? 157 ILE B N   1 
ATOM   1295 C CA  . ILE A 1 151 ? -24.063 -15.873 -10.164 1.00 10.22 ? 157 ILE B CA  1 
ATOM   1296 C C   . ILE A 1 151 ? -24.409 -17.287 -10.643 1.00 9.51  ? 157 ILE B C   1 
ATOM   1297 O O   . ILE A 1 151 ? -25.194 -17.982 -10.053 1.00 10.29 ? 157 ILE B O   1 
ATOM   1298 C CB  . ILE A 1 151 ? -24.736 -14.790 -11.043 1.00 10.98 ? 157 ILE B CB  1 
ATOM   1299 C CG1 . ILE A 1 151 ? -24.588 -13.388 -10.444 1.00 11.10 ? 157 ILE B CG1 1 
ATOM   1300 C CG2 . ILE A 1 151 ? -26.194 -15.149 -11.247 1.00 10.69 ? 157 ILE B CG2 1 
ATOM   1301 C CD1 . ILE A 1 151 ? -25.010 -12.281 -11.377 1.00 11.39 ? 157 ILE B CD1 1 
ATOM   1302 N N   . TYR A 1 152 ? -23.823 -17.707 -11.780 1.00 9.60  ? 158 TYR B N   1 
ATOM   1303 C CA  . TYR A 1 152 ? -24.210 -18.997 -12.377 1.00 9.81  ? 158 TYR B CA  1 
ATOM   1304 C C   . TYR A 1 152 ? -23.174 -19.401 -13.415 1.00 8.88  ? 158 TYR B C   1 
ATOM   1305 O O   . TYR A 1 152 ? -22.682 -18.541 -14.152 1.00 9.85  ? 158 TYR B O   1 
ATOM   1306 C CB  . TYR A 1 152 ? -25.597 -18.933 -13.087 1.00 9.45  ? 158 TYR B CB  1 
ATOM   1307 C CG  . TYR A 1 152 ? -26.131 -20.283 -13.440 1.00 9.72  ? 158 TYR B CG  1 
ATOM   1308 C CD1 . TYR A 1 152 ? -26.778 -21.079 -12.499 1.00 10.09 ? 158 TYR B CD1 1 
ATOM   1309 C CD2 . TYR A 1 152 ? -25.987 -20.805 -14.724 1.00 9.39  ? 158 TYR B CD2 1 
ATOM   1310 C CE1 . TYR A 1 152 ? -27.200 -22.349 -12.817 1.00 10.50 ? 158 TYR B CE1 1 
ATOM   1311 C CE2 . TYR A 1 152 ? -26.448 -22.053 -15.052 1.00 10.19 ? 158 TYR B CE2 1 
ATOM   1312 C CZ  . TYR A 1 152 ? -27.025 -22.844 -14.093 1.00 10.27 ? 158 TYR B CZ  1 
ATOM   1313 O OH  . TYR A 1 152 ? -27.418 -24.128 -14.350 1.00 12.87 ? 158 TYR B OH  1 
ATOM   1314 N N   . THR A 1 153 ? -22.885 -20.713 -13.515 1.00 9.32  ? 159 THR B N   1 
ATOM   1315 C CA  . THR A 1 153 ? -22.064 -21.317 -14.585 1.00 9.37  ? 159 THR B CA  1 
ATOM   1316 C C   . THR A 1 153 ? -22.817 -22.416 -15.282 1.00 9.97  ? 159 THR B C   1 
ATOM   1317 O O   . THR A 1 153 ? -23.203 -23.394 -14.667 1.00 10.26 ? 159 THR B O   1 
ATOM   1318 C CB  . THR A 1 153 ? -20.726 -21.851 -14.037 1.00 10.30 ? 159 THR B CB  1 
ATOM   1319 O OG1 . THR A 1 153 ? -19.955 -20.734 -13.608 1.00 11.27 ? 159 THR B OG1 1 
ATOM   1320 C CG2 . THR A 1 153 ? -19.967 -22.657 -15.080 1.00 11.02 ? 159 THR B CG2 1 
ATOM   1321 N N   . PHE A 1 154 ? -23.041 -22.237 -16.586 1.00 10.05 ? 160 PHE B N   1 
ATOM   1322 C CA  . PHE A 1 154 ? -23.407 -23.342 -17.498 1.00 9.73  ? 160 PHE B CA  1 
ATOM   1323 C C   . PHE A 1 154 ? -22.100 -24.023 -17.938 1.00 9.86  ? 160 PHE B C   1 
ATOM   1324 O O   . PHE A 1 154 ? -21.244 -23.374 -18.494 1.00 10.50 ? 160 PHE B O   1 
ATOM   1325 C CB  . PHE A 1 154 ? -24.085 -22.843 -18.769 1.00 9.98  ? 160 PHE B CB  1 
ATOM   1326 C CG  . PHE A 1 154 ? -25.452 -22.216 -18.617 1.00 8.83  ? 160 PHE B CG  1 
ATOM   1327 C CD1 . PHE A 1 154 ? -25.622 -20.859 -18.368 1.00 8.65  ? 160 PHE B CD1 1 
ATOM   1328 C CD2 . PHE A 1 154 ? -26.581 -22.979 -18.816 1.00 9.15  ? 160 PHE B CD2 1 
ATOM   1329 C CE1 . PHE A 1 154 ? -26.899 -20.310 -18.280 1.00 9.41  ? 160 PHE B CE1 1 
ATOM   1330 C CE2 . PHE A 1 154 ? -27.857 -22.425 -18.732 1.00 9.37  ? 160 PHE B CE2 1 
ATOM   1331 C CZ  . PHE A 1 154 ? -27.991 -21.079 -18.464 1.00 8.71  ? 160 PHE B CZ  1 
ATOM   1332 N N   . SER A 1 155 ? -21.995 -25.315 -17.638 1.00 11.50 ? 161 SER B N   1 
ATOM   1333 C CA  . SER A 1 155 ? -20.842 -26.109 -18.107 1.00 12.60 ? 161 SER B CA  1 
ATOM   1334 C C   . SER A 1 155 ? -21.368 -27.242 -18.971 1.00 12.25 ? 161 SER B C   1 
ATOM   1335 O O   . SER A 1 155 ? -22.559 -27.493 -19.069 1.00 13.64 ? 161 SER B O   1 
ATOM   1336 C CB  . SER A 1 155 ? -20.035 -26.546 -16.937 1.00 13.25 ? 161 SER B CB  1 
ATOM   1337 O OG  . SER A 1 155 ? -20.734 -27.470 -16.158 1.00 17.09 ? 161 SER B OG  1 
ATOM   1338 N N   . GLU A 1 156 ? -20.437 -27.933 -19.653 1.00 14.04 ? 162 GLU B N   1 
ATOM   1339 C CA  . GLU A 1 156 ? -20.794 -29.000 -20.639 1.00 15.54 ? 162 GLU B CA  1 
ATOM   1340 C C   . GLU A 1 156 ? -21.738 -28.437 -21.713 1.00 13.09 ? 162 GLU B C   1 
ATOM   1341 O O   . GLU A 1 156 ? -22.684 -29.145 -22.175 1.00 15.43 ? 162 GLU B O   1 
ATOM   1342 C CB  . GLU A 1 156 ? -21.451 -30.193 -19.948 1.00 18.65 ? 162 GLU B CB  1 
ATOM   1343 C CG  . GLU A 1 156 ? -20.748 -30.708 -18.709 1.00 23.84 ? 162 GLU B CG  1 
ATOM   1344 C CD  . GLU A 1 156 ? -21.374 -32.031 -18.330 1.00 34.49 ? 162 GLU B CD  1 
ATOM   1345 O OE1 . GLU A 1 156 ? -22.440 -32.019 -17.678 1.00 36.91 ? 162 GLU B OE1 1 
ATOM   1346 O OE2 . GLU A 1 156 ? -20.866 -33.061 -18.810 1.00 40.51 ? 162 GLU B OE2 1 
ATOM   1347 N N   . CYS A 1 157 ? -21.505 -27.168 -22.078 1.00 12.15 ? 163 CYS B N   1 
ATOM   1348 C CA  . CYS A 1 157 ? -22.343 -26.531 -23.103 1.00 11.48 ? 163 CYS B CA  1 
ATOM   1349 C C   . CYS A 1 157 ? -22.085 -27.191 -24.463 1.00 12.34 ? 163 CYS B C   1 
ATOM   1350 O O   . CYS A 1 157 ? -20.884 -27.395 -24.812 1.00 13.99 ? 163 CYS B O   1 
ATOM   1351 C CB  . CYS A 1 157 ? -22.139 -25.017 -23.226 1.00 11.10 ? 163 CYS B CB  1 
ATOM   1352 S SG  . CYS A 1 157 ? -22.556 -24.089 -21.728 1.00 11.68 ? 163 CYS B SG  1 
ATOM   1353 N N   . VAL A 1 158 ? -23.141 -27.385 -25.213 1.00 12.19 ? 164 VAL B N   1 
ATOM   1354 C CA  . VAL A 1 158 ? -22.994 -27.899 -26.607 1.00 13.50 ? 164 VAL B CA  1 
ATOM   1355 C C   . VAL A 1 158 ? -23.452 -26.732 -27.495 1.00 11.90 ? 164 VAL B C   1 
ATOM   1356 O O   . VAL A 1 158 ? -24.607 -26.667 -27.882 1.00 14.48 ? 164 VAL B O   1 
ATOM   1357 C CB  . VAL A 1 158 ? -23.736 -29.257 -26.764 1.00 16.09 ? 164 VAL B CB  1 
ATOM   1358 C CG1 . VAL A 1 158 ? -23.633 -29.731 -28.224 1.00 16.09 ? 164 VAL B CG1 1 
ATOM   1359 C CG2 . VAL A 1 158 ? -23.194 -30.312 -25.781 1.00 17.45 ? 164 VAL B CG2 1 
ATOM   1360 N N   . PHE A 1 159 ? -22.557 -25.822 -27.849 1.00 11.91 ? 165 PHE B N   1 
ATOM   1361 C CA  . PHE A 1 159 ? -22.888 -24.569 -28.575 1.00 12.29 ? 165 PHE B CA  1 
ATOM   1362 C C   . PHE A 1 159 ? -23.446 -24.944 -29.951 1.00 13.73 ? 165 PHE B C   1 
ATOM   1363 O O   . PHE A 1 159 ? -24.466 -24.366 -30.380 1.00 14.17 ? 165 PHE B O   1 
ATOM   1364 C CB  . PHE A 1 159 ? -21.701 -23.626 -28.575 1.00 12.00 ? 165 PHE B CB  1 
ATOM   1365 C CG  . PHE A 1 159 ? -21.262 -23.137 -27.215 1.00 11.18 ? 165 PHE B CG  1 
ATOM   1366 C CD1 . PHE A 1 159 ? -22.215 -22.642 -26.317 1.00 11.16 ? 165 PHE B CD1 1 
ATOM   1367 C CD2 . PHE A 1 159 ? -19.934 -23.154 -26.818 1.00 11.99 ? 165 PHE B CD2 1 
ATOM   1368 C CE1 . PHE A 1 159 ? -21.812 -22.173 -25.065 1.00 11.83 ? 165 PHE B CE1 1 
ATOM   1369 C CE2 . PHE A 1 159 ? -19.542 -22.672 -25.576 1.00 11.94 ? 165 PHE B CE2 1 
ATOM   1370 C CZ  . PHE A 1 159 ? -20.478 -22.163 -24.713 1.00 11.97 ? 165 PHE B CZ  1 
ATOM   1371 N N   . ALA A 1 160 ? -22.751 -25.825 -30.687 1.00 12.64 ? 166 ALA B N   1 
ATOM   1372 C CA  . ALA A 1 160 ? -23.200 -26.409 -31.974 1.00 13.29 ? 166 ALA B CA  1 
ATOM   1373 C C   . ALA A 1 160 ? -23.334 -25.339 -33.052 1.00 12.97 ? 166 ALA B C   1 
ATOM   1374 O O   . ALA A 1 160 ? -24.151 -25.530 -34.004 1.00 13.75 ? 166 ALA B O   1 
ATOM   1375 C CB  . ALA A 1 160 ? -24.449 -27.189 -31.794 1.00 13.92 ? 166 ALA B CB  1 
ATOM   1376 N N   . GLY A 1 161 ? -22.558 -24.292 -32.981 1.00 12.92 ? 167 GLY B N   1 
ATOM   1377 C CA  . GLY A 1 161 ? -22.583 -23.208 -33.973 1.00 12.96 ? 167 GLY B CA  1 
ATOM   1378 C C   . GLY A 1 161 ? -21.898 -21.969 -33.452 1.00 12.47 ? 167 GLY B C   1 
ATOM   1379 O O   . GLY A 1 161 ? -21.461 -21.924 -32.269 1.00 12.98 ? 167 GLY B O   1 
ATOM   1380 N N   . PRO A 1 162 ? -21.771 -20.936 -34.277 1.00 11.49 ? 168 PRO B N   1 
ATOM   1381 C CA  . PRO A 1 162 ? -21.292 -19.638 -33.831 1.00 11.20 ? 168 PRO B CA  1 
ATOM   1382 C C   . PRO A 1 162 ? -22.239 -19.063 -32.756 1.00 11.54 ? 168 PRO B C   1 
ATOM   1383 O O   . PRO A 1 162 ? -23.438 -19.330 -32.829 1.00 12.15 ? 168 PRO B O   1 
ATOM   1384 C CB  . PRO A 1 162 ? -21.293 -18.732 -35.077 1.00 12.41 ? 168 PRO B CB  1 
ATOM   1385 C CG  . PRO A 1 162 ? -21.442 -19.763 -36.231 1.00 12.61 ? 168 PRO B CG  1 
ATOM   1386 C CD  . PRO A 1 162 ? -22.217 -20.908 -35.691 1.00 11.84 ? 168 PRO B CD  1 
ATOM   1387 N N   . LEU A 1 163 ? -21.662 -18.327 -31.830 1.00 11.12 ? 169 LEU B N   1 
ATOM   1388 C CA  . LEU A 1 163 ? -22.442 -17.681 -30.733 1.00 10.42 ? 169 LEU B CA  1 
ATOM   1389 C C   . LEU A 1 163 ? -22.543 -16.183 -30.979 1.00 10.47 ? 169 LEU B C   1 
ATOM   1390 O O   . LEU A 1 163 ? -21.604 -15.544 -31.448 1.00 12.13 ? 169 LEU B O   1 
ATOM   1391 C CB  . LEU A 1 163 ? -21.762 -17.934 -29.389 1.00 10.94 ? 169 LEU B CB  1 
ATOM   1392 C CG  . LEU A 1 163 ? -21.795 -19.355 -28.846 1.00 12.61 ? 169 LEU B CG  1 
ATOM   1393 C CD1 . LEU A 1 163 ? -20.932 -19.417 -27.592 1.00 12.22 ? 169 LEU B CD1 1 
ATOM   1394 C CD2 . LEU A 1 163 ? -23.207 -19.841 -28.615 1.00 12.71 ? 169 LEU B CD2 1 
ATOM   1395 N N   . ARG A 1 164 ? -23.671 -15.618 -30.543 1.00 10.65 ? 170 ARG B N   1 
ATOM   1396 C CA  . ARG A 1 164 ? -23.908 -14.160 -30.537 1.00 10.23 ? 170 ARG B CA  1 
ATOM   1397 C C   . ARG A 1 164 ? -24.332 -13.684 -29.158 1.00 9.19  ? 170 ARG B C   1 
ATOM   1398 O O   . ARG A 1 164 ? -25.105 -14.373 -28.492 1.00 9.93  ? 170 ARG B O   1 
ATOM   1399 C CB  . ARG A 1 164 ? -24.954 -13.788 -31.598 1.00 11.72 ? 170 ARG B CB  1 
ATOM   1400 C CG  . ARG A 1 164 ? -24.468 -14.155 -33.002 1.00 13.80 ? 170 ARG B CG  1 
ATOM   1401 C CD  . ARG A 1 164 ? -25.390 -13.758 -34.112 1.00 15.25 ? 170 ARG B CD  1 
ATOM   1402 N NE  . ARG A 1 164 ? -25.446 -12.317 -34.214 1.00 14.58 ? 170 ARG B NE  1 
ATOM   1403 C CZ  . ARG A 1 164 ? -26.138 -11.704 -35.150 1.00 15.84 ? 170 ARG B CZ  1 
ATOM   1404 N NH1 . ARG A 1 164 ? -26.744 -12.418 -36.073 1.00 16.44 ? 170 ARG B NH1 1 
ATOM   1405 N NH2 . ARG A 1 164 ? -26.185 -10.394 -35.137 1.00 15.51 ? 170 ARG B NH2 1 
ATOM   1406 N N   . PRO A 1 165 ? -23.870 -12.500 -28.712 1.00 9.05  ? 171 PRO B N   1 
ATOM   1407 C CA  . PRO A 1 165 ? -24.437 -11.897 -27.493 1.00 9.59  ? 171 PRO B CA  1 
ATOM   1408 C C   . PRO A 1 165 ? -25.955 -11.736 -27.651 1.00 9.20  ? 171 PRO B C   1 
ATOM   1409 O O   . PRO A 1 165 ? -26.448 -11.400 -28.709 1.00 9.65  ? 171 PRO B O   1 
ATOM   1410 C CB  . PRO A 1 165 ? -23.737 -10.552 -27.375 1.00 10.18 ? 171 PRO B CB  1 
ATOM   1411 C CG  . PRO A 1 165 ? -22.425 -10.761 -28.172 1.00 10.82 ? 171 PRO B CG  1 
ATOM   1412 C CD  . PRO A 1 165 ? -22.834 -11.656 -29.316 1.00 11.06 ? 171 PRO B CD  1 
ATOM   1413 N N   . PHE A 1 166 ? -26.693 -12.033 -26.586 1.00 8.94  ? 172 PHE B N   1 
ATOM   1414 C CA  . PHE A 1 166 ? -28.167 -12.054 -26.562 1.00 9.36  ? 172 PHE B CA  1 
ATOM   1415 C C   . PHE A 1 166 ? -28.701 -11.134 -25.457 1.00 8.66  ? 172 PHE B C   1 
ATOM   1416 O O   . PHE A 1 166 ? -28.194 -11.120 -24.334 1.00 8.87  ? 172 PHE B O   1 
ATOM   1417 C CB  . PHE A 1 166 ? -28.650 -13.476 -26.311 1.00 9.88  ? 172 PHE B CB  1 
ATOM   1418 C CG  . PHE A 1 166 ? -30.141 -13.576 -26.136 1.00 9.57  ? 172 PHE B CG  1 
ATOM   1419 C CD1 . PHE A 1 166 ? -30.992 -13.539 -27.240 1.00 10.04 ? 172 PHE B CD1 1 
ATOM   1420 C CD2 . PHE A 1 166 ? -30.733 -13.610 -24.884 1.00 10.68 ? 172 PHE B CD2 1 
ATOM   1421 C CE1 . PHE A 1 166 ? -32.360 -13.612 -27.082 1.00 10.59 ? 172 PHE B CE1 1 
ATOM   1422 C CE2 . PHE A 1 166 ? -32.101 -13.623 -24.734 1.00 10.47 ? 172 PHE B CE2 1 
ATOM   1423 C CZ  . PHE A 1 166 ? -32.917 -13.626 -25.836 1.00 10.93 ? 172 PHE B CZ  1 
ATOM   1424 N N   . PHE A 1 167 ? -29.765 -10.370 -25.800 1.00 8.75  ? 173 PHE B N   1 
ATOM   1425 C CA  . PHE A 1 167 ? -30.373 -9.357  -24.918 1.00 8.58  ? 173 PHE B CA  1 
ATOM   1426 C C   . PHE A 1 167 ? -31.884 -9.446  -25.053 1.00 9.35  ? 173 PHE B C   1 
ATOM   1427 O O   . PHE A 1 167 ? -32.408 -9.469  -26.174 1.00 9.64  ? 173 PHE B O   1 
ATOM   1428 C CB  . PHE A 1 167 ? -29.941 -7.941  -25.315 1.00 9.31  ? 173 PHE B CB  1 
ATOM   1429 C CG  . PHE A 1 167 ? -28.442 -7.789  -25.403 1.00 9.06  ? 173 PHE B CG  1 
ATOM   1430 C CD1 . PHE A 1 167 ? -27.768 -8.082  -26.574 1.00 9.32  ? 173 PHE B CD1 1 
ATOM   1431 C CD2 . PHE A 1 167 ? -27.685 -7.335  -24.332 1.00 10.25 ? 173 PHE B CD2 1 
ATOM   1432 C CE1 . PHE A 1 167 ? -26.378 -8.016  -26.664 1.00 9.39  ? 173 PHE B CE1 1 
ATOM   1433 C CE2 . PHE A 1 167 ? -26.305 -7.224  -24.429 1.00 10.23 ? 173 PHE B CE2 1 
ATOM   1434 C CZ  . PHE A 1 167 ? -25.654 -7.534  -25.605 1.00 10.29 ? 173 PHE B CZ  1 
ATOM   1435 N N   . ASN A 1 168 ? -32.578 -9.265  -23.933 1.00 9.51  ? 174 ASN B N   1 
ATOM   1436 C CA  . ASN A 1 168 ? -34.042 -9.019  -23.884 1.00 9.44  ? 174 ASN B CA  1 
ATOM   1437 C C   . ASN A 1 168 ? -34.268 -7.873  -22.907 1.00 8.80  ? 174 ASN B C   1 
ATOM   1438 O O   . ASN A 1 168 ? -33.956 -8.034  -21.717 1.00 9.90  ? 174 ASN B O   1 
ATOM   1439 C CB  . ASN A 1 168 ? -34.827 -10.257 -23.457 1.00 9.61  ? 174 ASN B CB  1 
ATOM   1440 C CG  . ASN A 1 168 ? -36.324 -10.061 -23.564 1.00 10.08 ? 174 ASN B CG  1 
ATOM   1441 O OD1 . ASN A 1 168 ? -36.840 -8.984  -23.860 1.00 11.25 ? 174 ASN B OD1 1 
ATOM   1442 N ND2 . ASN A 1 168 ? -37.069 -11.122 -23.364 1.00 11.95 ? 174 ASN B ND2 1 
ATOM   1443 N N   . VAL A 1 169 ? -34.785 -6.725  -23.374 1.00 8.86  ? 175 VAL B N   1 
ATOM   1444 C CA  . VAL A 1 169 ? -35.052 -5.571  -22.475 1.00 9.50  ? 175 VAL B CA  1 
ATOM   1445 C C   . VAL A 1 169 ? -36.308 -5.809  -21.640 1.00 9.53  ? 175 VAL B C   1 
ATOM   1446 O O   . VAL A 1 169 ? -36.559 -4.990  -20.726 1.00 10.42 ? 175 VAL B O   1 
ATOM   1447 C CB  . VAL A 1 169 ? -35.129 -4.224  -23.229 1.00 10.66 ? 175 VAL B CB  1 
ATOM   1448 C CG1 . VAL A 1 169 ? -33.836 -3.888  -23.924 1.00 11.54 ? 175 VAL B CG1 1 
ATOM   1449 C CG2 . VAL A 1 169 ? -36.295 -4.187  -24.207 1.00 10.63 ? 175 VAL B CG2 1 
ATOM   1450 N N   . GLY A 1 170 ? -37.138 -6.782  -21.995 1.00 9.70  ? 176 GLY B N   1 
ATOM   1451 C CA  . GLY A 1 170 ? -38.413 -7.069  -21.306 1.00 9.80  ? 176 GLY B CA  1 
ATOM   1452 C C   . GLY A 1 170 ? -39.500 -6.099  -21.717 1.00 9.69  ? 176 GLY B C   1 
ATOM   1453 O O   . GLY A 1 170 ? -39.275 -5.062  -22.336 1.00 10.02 ? 176 GLY B O   1 
ATOM   1454 N N   . PHE A 1 171 ? -40.727 -6.556  -21.480 1.00 10.20 ? 177 PHE B N   1 
ATOM   1455 C CA  . PHE A 1 171 ? -41.937 -5.729  -21.672 1.00 9.90  ? 177 PHE B CA  1 
ATOM   1456 C C   . PHE A 1 171 ? -41.988 -4.634  -20.632 1.00 9.60  ? 177 PHE B C   1 
ATOM   1457 O O   . PHE A 1 171 ? -41.268 -4.671  -19.632 1.00 10.17 ? 177 PHE B O   1 
ATOM   1458 C CB  . PHE A 1 171 ? -43.219 -6.581  -21.718 1.00 10.78 ? 177 PHE B CB  1 
ATOM   1459 C CG  . PHE A 1 171 ? -43.319 -7.464  -22.937 1.00 11.01 ? 177 PHE B CG  1 
ATOM   1460 C CD1 . PHE A 1 171 ? -43.706 -6.941  -24.159 1.00 13.04 ? 177 PHE B CD1 1 
ATOM   1461 C CD2 . PHE A 1 171 ? -43.015 -8.814  -22.876 1.00 12.40 ? 177 PHE B CD2 1 
ATOM   1462 C CE1 . PHE A 1 171 ? -43.770 -7.751  -25.291 1.00 14.18 ? 177 PHE B CE1 1 
ATOM   1463 C CE2 . PHE A 1 171 ? -43.113 -9.615  -24.012 1.00 13.30 ? 177 PHE B CE2 1 
ATOM   1464 C CZ  . PHE A 1 171 ? -43.526 -9.084  -25.190 1.00 14.71 ? 177 PHE B CZ  1 
ATOM   1465 N N   . ASN A 1 172 ? -42.850 -3.660  -20.888 1.00 10.27 ? 178 ASN B N   1 
ATOM   1466 C CA  . ASN A 1 172 ? -43.055 -2.563  -19.919 1.00 10.11 ? 178 ASN B CA  1 
ATOM   1467 C C   . ASN A 1 172 ? -44.569 -2.420  -19.719 1.00 10.47 ? 178 ASN B C   1 
ATOM   1468 O O   . ASN A 1 172 ? -45.092 -1.284  -19.780 1.00 11.88 ? 178 ASN B O   1 
ATOM   1469 C CB  . ASN A 1 172 ? -42.388 -1.286  -20.398 1.00 10.76 ? 178 ASN B CB  1 
ATOM   1470 C CG  . ASN A 1 172 ? -42.416 -0.197  -19.356 1.00 11.08 ? 178 ASN B CG  1 
ATOM   1471 O OD1 . ASN A 1 172 ? -42.464 -0.435  -18.158 1.00 11.35 ? 178 ASN B OD1 1 
ATOM   1472 N ND2 . ASN A 1 172 ? -42.361 1.039   -19.831 1.00 12.10 ? 178 ASN B ND2 1 
ATOM   1473 N N   . TYR A 1 173 ? -45.256 -3.469  -19.348 1.00 10.72 ? 179 TYR B N   1 
ATOM   1474 C CA  . TYR A 1 173 ? -46.673 -3.413  -18.937 1.00 10.26 ? 179 TYR B CA  1 
ATOM   1475 C C   . TYR A 1 173 ? -46.819 -2.582  -17.677 1.00 10.80 ? 179 TYR B C   1 
ATOM   1476 O O   . TYR A 1 173 ? -47.881 -1.896  -17.499 1.00 11.92 ? 179 TYR B O   1 
ATOM   1477 C CB  . TYR A 1 173 ? -47.250 -4.810  -18.692 1.00 10.69 ? 179 TYR B CB  1 
ATOM   1478 C CG  . TYR A 1 173 ? -47.289 -5.713  -19.900 1.00 13.04 ? 179 TYR B CG  1 
ATOM   1479 C CD1 . TYR A 1 173 ? -48.267 -5.541  -20.870 1.00 16.08 ? 179 TYR B CD1 1 
ATOM   1480 C CD2 . TYR A 1 173 ? -46.423 -6.800  -20.013 1.00 14.08 ? 179 TYR B CD2 1 
ATOM   1481 C CE1 . TYR A 1 173 ? -48.296 -6.355  -21.997 1.00 17.53 ? 179 TYR B CE1 1 
ATOM   1482 C CE2 . TYR A 1 173 ? -46.446 -7.609  -21.156 1.00 15.17 ? 179 TYR B CE2 1 
ATOM   1483 C CZ  . TYR A 1 173 ? -47.377 -7.370  -22.123 1.00 16.92 ? 179 TYR B CZ  1 
ATOM   1484 O OH  . TYR A 1 173 ? -47.432 -8.232  -23.199 1.00 22.17 ? 179 TYR B OH  1 
ATOM   1485 N N   . SER A 1 174 ? -45.866 -2.588  -16.751 1.00 10.16 ? 180 SER B N   1 
ATOM   1486 C CA  . SER A 1 174 ? -45.998 -1.957  -15.416 1.00 11.56 ? 180 SER B CA  1 
ATOM   1487 C C   . SER A 1 174 ? -45.719 -0.454  -15.444 1.00 11.20 ? 180 SER B C   1 
ATOM   1488 O O   . SER A 1 174 ? -46.058 0.251   -14.473 1.00 12.63 ? 180 SER B O   1 
ATOM   1489 C CB  . SER A 1 174 ? -45.072 -2.591  -14.429 1.00 10.76 ? 180 SER B CB  1 
ATOM   1490 O OG  . SER A 1 174 ? -43.719 -2.309  -14.850 1.00 11.76 ? 180 SER B OG  1 
ATOM   1491 N N   . GLY A 1 175 ? -45.033 0.034   -16.456 1.00 10.14 ? 181 GLY B N   1 
ATOM   1492 C CA  . GLY A 1 175 ? -44.498 1.401   -16.425 1.00 11.02 ? 181 GLY B CA  1 
ATOM   1493 C C   . GLY A 1 175 ? -43.251 1.537   -15.583 1.00 11.97 ? 181 GLY B C   1 
ATOM   1494 O O   . GLY A 1 175 ? -42.764 2.667   -15.441 1.00 14.09 ? 181 GLY B O   1 
ATOM   1495 N N   . GLY A 1 176 ? -42.718 0.453   -15.015 1.00 10.78 ? 182 GLY B N   1 
ATOM   1496 C CA  . GLY A 1 176 ? -41.509 0.483   -14.181 1.00 11.00 ? 182 GLY B CA  1 
ATOM   1497 C C   . GLY A 1 176 ? -40.307 -0.148  -14.886 1.00 11.80 ? 182 GLY B C   1 
ATOM   1498 O O   . GLY A 1 176 ? -39.264 -0.252  -14.211 1.00 13.18 ? 182 GLY B O   1 
ATOM   1499 N N   . ASN A 1 177 ? -40.415 -0.545  -16.130 1.00 10.11 ? 183 ASN B N   1 
ATOM   1500 C CA  . ASN A 1 177 ? -39.331 -1.280  -16.828 1.00 10.13 ? 183 ASN B CA  1 
ATOM   1501 C C   . ASN A 1 177 ? -38.876 -0.566  -18.091 1.00 10.01 ? 183 ASN B C   1 
ATOM   1502 O O   . ASN A 1 177 ? -38.328 -1.248  -18.979 1.00 11.26 ? 183 ASN B O   1 
ATOM   1503 C CB  . ASN A 1 177 ? -39.722 -2.722  -17.136 1.00 10.09 ? 183 ASN B CB  1 
ATOM   1504 C CG  . ASN A 1 177 ? -38.519 -3.608  -17.423 1.00 9.85  ? 183 ASN B CG  1 
ATOM   1505 O OD1 . ASN A 1 177 ? -37.480 -3.422  -16.796 1.00 10.31 ? 183 ASN B OD1 1 
ATOM   1506 N ND2 . ASN A 1 177 ? -38.670 -4.518  -18.367 1.00 9.70  ? 183 ASN B ND2 1 
ATOM   1507 N N   . ALA A 1 178 ? -38.972 0.755   -18.158 1.00 10.94 ? 184 ALA B N   1 
ATOM   1508 C CA  . ALA A 1 178 ? -38.583 1.492   -19.383 1.00 11.51 ? 184 ALA B CA  1 
ATOM   1509 C C   . ALA A 1 178 ? -37.069 1.629   -19.540 1.00 11.91 ? 184 ALA B C   1 
ATOM   1510 O O   . ALA A 1 178 ? -36.603 1.912   -20.659 1.00 13.46 ? 184 ALA B O   1 
ATOM   1511 C CB  . ALA A 1 178 ? -39.218 2.892   -19.372 1.00 12.30 ? 184 ALA B CB  1 
ATOM   1512 N N   . ALA A 1 179 ? -36.312 1.463   -18.473 1.00 11.00 ? 185 ALA B N   1 
ATOM   1513 C CA  . ALA A 1 179 ? -34.861 1.771   -18.516 1.00 11.08 ? 185 ALA B CA  1 
ATOM   1514 C C   . ALA A 1 179 ? -34.164 0.873   -19.550 1.00 11.30 ? 185 ALA B C   1 
ATOM   1515 O O   . ALA A 1 179 ? -34.534 -0.291  -19.806 1.00 11.05 ? 185 ALA B O   1 
ATOM   1516 C CB  . ALA A 1 179 ? -34.221 1.593   -17.160 1.00 11.39 ? 185 ALA B CB  1 
ATOM   1517 N N   . PRO A 1 180 ? -33.063 1.366   -20.141 1.00 10.83 ? 186 PRO B N   1 
ATOM   1518 C CA  . PRO A 1 180 ? -32.316 0.604   -21.146 1.00 11.06 ? 186 PRO B CA  1 
ATOM   1519 C C   . PRO A 1 180 ? -31.405 -0.501  -20.552 1.00 10.20 ? 186 PRO B C   1 
ATOM   1520 O O   . PRO A 1 180 ? -31.051 -0.452  -19.391 1.00 11.40 ? 186 PRO B O   1 
ATOM   1521 C CB  . PRO A 1 180 ? -31.422 1.682   -21.798 1.00 12.01 ? 186 PRO B CB  1 
ATOM   1522 C CG  . PRO A 1 180 ? -31.158 2.658   -20.684 1.00 14.41 ? 186 PRO B CG  1 
ATOM   1523 C CD  . PRO A 1 180 ? -32.500 2.719   -19.960 1.00 13.83 ? 186 PRO B CD  1 
ATOM   1524 N N   . LEU A 1 181 ? -31.008 -1.436  -21.412 1.00 10.67 ? 187 LEU B N   1 
ATOM   1525 C CA  . LEU A 1 181 ? -29.764 -2.235  -21.208 1.00 11.13 ? 187 LEU B CA  1 
ATOM   1526 C C   . LEU A 1 181 ? -28.634 -1.451  -21.856 1.00 10.89 ? 187 LEU B C   1 
ATOM   1527 O O   . LEU A 1 181 ? -28.806 -0.935  -22.977 1.00 13.07 ? 187 LEU B O   1 
ATOM   1528 C CB  . LEU A 1 181 ? -29.904 -3.590  -21.863 1.00 10.70 ? 187 LEU B CB  1 
ATOM   1529 C CG  . LEU A 1 181 ? -30.950 -4.517  -21.228 1.00 11.29 ? 187 LEU B CG  1 
ATOM   1530 C CD1 . LEU A 1 181 ? -31.103 -5.812  -22.036 1.00 11.66 ? 187 LEU B CD1 1 
ATOM   1531 C CD2 . LEU A 1 181 ? -30.605 -4.902  -19.816 1.00 12.79 ? 187 LEU B CD2 1 
ATOM   1532 N N   . LYS A 1 182 ? -27.499 -1.333  -21.183 1.00 10.89 ? 188 LYS B N   1 
ATOM   1533 C CA  . LYS A 1 182 ? -26.357 -0.568  -21.727 1.00 11.57 ? 188 LYS B CA  1 
ATOM   1534 C C   . LYS A 1 182 ? -25.124 -1.458  -21.682 1.00 12.14 ? 188 LYS B C   1 
ATOM   1535 O O   . LYS A 1 182 ? -24.776 -1.984  -20.587 1.00 12.51 ? 188 LYS B O   1 
ATOM   1536 C CB  . LYS A 1 182 ? -26.086 0.718   -20.944 1.00 13.33 ? 188 LYS B CB  1 
ATOM   1537 C CG  . LYS A 1 182 ? -27.259 1.654   -20.723 1.00 16.25 ? 188 LYS B CG  1 
ATOM   1538 C CD  . LYS A 1 182 ? -26.856 2.987   -20.063 1.00 18.44 ? 188 LYS B CD  1 
ATOM   1539 C CE  . LYS A 1 182 ? -28.002 3.918   -19.744 1.00 22.70 ? 188 LYS B CE  1 
ATOM   1540 N NZ  . LYS A 1 182 ? -27.504 5.081   -18.966 1.00 29.50 ? 188 LYS B NZ  1 
ATOM   1541 N N   . LEU A 1 183 ? -24.365 -1.505  -22.750 1.00 11.96 ? 189 LEU B N   1 
ATOM   1542 C CA  . LEU A 1 183 ? -23.028 -2.159  -22.764 1.00 12.48 ? 189 LEU B CA  1 
ATOM   1543 C C   . LEU A 1 183 ? -22.027 -1.213  -22.122 1.00 13.81 ? 189 LEU B C   1 
ATOM   1544 O O   . LEU A 1 183 ? -21.879 -0.074  -22.639 1.00 17.17 ? 189 LEU B O   1 
ATOM   1545 C CB  . LEU A 1 183 ? -22.682 -2.557  -24.198 1.00 13.45 ? 189 LEU B CB  1 
ATOM   1546 C CG  . LEU A 1 183 ? -23.429 -3.817  -24.648 1.00 14.11 ? 189 LEU B CG  1 
ATOM   1547 C CD1 . LEU A 1 183 ? -23.634 -3.921  -26.149 1.00 18.23 ? 189 LEU B CD1 1 
ATOM   1548 C CD2 . LEU A 1 183 ? -22.788 -5.085  -24.061 1.00 12.14 ? 189 LEU B CD2 1 
ATOM   1549 N N   . CYS A 1 184 ? -21.382 -1.661  -21.055 1.00 16.11 ? 190 CYS B N   1 
ATOM   1550 C CA  . CYS A 1 184 ? -20.473 -0.824  -20.218 1.00 18.59 ? 190 CYS B CA  1 
ATOM   1551 C C   . CYS A 1 184 ? -19.111 -0.748  -20.869 1.00 20.21 ? 190 CYS B C   1 
ATOM   1552 O O   . CYS A 1 184 ? -18.629 -1.723  -21.413 1.00 22.21 ? 190 CYS B O   1 
ATOM   1553 C CB  . CYS A 1 184 ? -20.161 -1.482  -18.891 1.00 21.20 ? 190 CYS B CB  1 
ATOM   1554 S SG  . CYS A 1 184 ? -21.596 -2.009  -17.965 1.00 22.26 ? 190 CYS B SG  1 
ATOM   1555 N N   . PRO A 1 185 ? -18.406 0.395   -20.731 1.00 26.15 ? 191 PRO B N   1 
ATOM   1556 C CA  . PRO A 1 185 ? -17.091 0.563   -21.323 1.00 32.20 ? 191 PRO B CA  1 
ATOM   1557 C C   . PRO A 1 185 ? -16.108 -0.342  -20.580 1.00 32.43 ? 191 PRO B C   1 
ATOM   1558 O O   . PRO A 1 185 ? -16.295 -0.570  -19.380 1.00 33.35 ? 191 PRO B O   1 
ATOM   1559 C CB  . PRO A 1 185 ? -16.823 2.072   -21.146 1.00 31.04 ? 191 PRO B CB  1 
ATOM   1560 C CG  . PRO A 1 185 ? -17.642 2.460   -19.949 1.00 30.27 ? 191 PRO B CG  1 
ATOM   1561 C CD  . PRO A 1 185 ? -18.887 1.608   -20.049 1.00 28.15 ? 191 PRO B CD  1 
ATOM   1562 N N   . LEU A 1 186 ? -15.123 -0.829  -21.339 1.00 38.93 ? 192 LEU B N   1 
ATOM   1563 C CA  . LEU A 1 186 ? -13.888 -1.532  -20.900 1.00 39.06 ? 192 LEU B CA  1 
ATOM   1564 C C   . LEU A 1 186 ? -13.083 -0.636  -19.956 1.00 45.79 ? 192 LEU B C   1 
ATOM   1565 O O   . LEU A 1 186 ? -12.244 -1.171  -19.223 1.00 50.13 ? 192 LEU B O   1 
ATOM   1566 C CB  . LEU A 1 186 ? -13.060 -1.871  -22.144 1.00 38.86 ? 192 LEU B CB  1 
HETATM 1567 C C4  . U2R B 2 .   ? -44.404 -8.195  -28.890 0.52 16.56 ? 201 U2R B C4  1 
HETATM 1568 C C5  . U2R B 2 .   ? -43.172 -7.590  -29.040 0.52 16.42 ? 201 U2R B C5  1 
HETATM 1569 C C6  . U2R B 2 .   ? -43.050 -6.206  -29.058 0.52 16.34 ? 201 U2R B C6  1 
HETATM 1570 C C7  . U2R B 2 .   ? -44.185 -5.428  -28.940 0.52 15.74 ? 201 U2R B C7  1 
HETATM 1571 C C   . U2R B 2 .   ? -46.639 -4.760  -26.340 0.52 17.13 ? 201 U2R B C   1 
HETATM 1572 O O   . U2R B 2 .   ? -46.168 -4.056  -25.423 0.52 20.88 ? 201 U2R B O   1 
HETATM 1573 C C1  . U2R B 2 .   ? -46.568 -4.215  -27.754 0.52 16.22 ? 201 U2R B C1  1 
HETATM 1574 C C2  . U2R B 2 .   ? -45.413 -6.029  -28.786 0.52 16.47 ? 201 U2R B C2  1 
HETATM 1575 C C3  . U2R B 2 .   ? -45.528 -7.402  -28.762 0.52 16.48 ? 201 U2R B C3  1 
HETATM 1576 F F   . U2R B 2 .   ? -42.057 -8.366  -29.144 0.52 20.06 ? 201 U2R B F   1 
HETATM 1577 O O1  . U2R B 2 .   ? -47.128 -5.904  -26.120 0.52 18.64 ? 201 U2R B O1  1 
HETATM 1578 O O2  . U2R B 2 .   ? -46.580 -5.282  -28.663 0.52 16.08 ? 201 U2R B O2  1 
HETATM 1579 C C1  . EDO C 3 .   ? -50.575 -16.922 -33.193 1.00 37.69 ? 202 EDO B C1  1 
HETATM 1580 O O1  . EDO C 3 .   ? -49.281 -16.353 -33.109 1.00 31.54 ? 202 EDO B O1  1 
HETATM 1581 C C2  . EDO C 3 .   ? -51.243 -17.030 -31.877 1.00 36.06 ? 202 EDO B C2  1 
HETATM 1582 O O2  . EDO C 3 .   ? -51.046 -15.886 -31.072 1.00 41.45 ? 202 EDO B O2  1 
HETATM 1583 S S   . SO4 D 4 .   ? -40.444 -24.505 -26.427 1.00 34.40 ? 203 SO4 B S   1 
HETATM 1584 O O1  . SO4 D 4 .   ? -39.675 -23.569 -27.158 1.00 23.57 ? 203 SO4 B O1  1 
HETATM 1585 O O2  . SO4 D 4 .   ? -41.374 -25.166 -27.304 1.00 42.79 ? 203 SO4 B O2  1 
HETATM 1586 O O3  . SO4 D 4 .   ? -39.538 -25.470 -25.843 1.00 42.15 ? 203 SO4 B O3  1 
HETATM 1587 O O4  . SO4 D 4 .   ? -41.174 -23.851 -25.356 1.00 37.88 ? 203 SO4 B O4  1 
HETATM 1588 O O   . HOH E 5 .   ? -26.884 -28.426 -27.861 1.00 21.58 ? 301 HOH B O   1 
HETATM 1589 O O   . HOH E 5 .   ? -46.913 1.469   -25.652 1.00 37.12 ? 302 HOH B O   1 
HETATM 1590 O O   . HOH E 5 .   ? -38.639 -15.304 -11.567 1.00 28.75 ? 303 HOH B O   1 
HETATM 1591 O O   . HOH E 5 .   ? -22.717 -1.853  -9.721  1.00 26.81 ? 304 HOH B O   1 
HETATM 1592 O O   . HOH E 5 .   ? -45.632 3.687   -34.201 1.00 15.81 ? 305 HOH B O   1 
HETATM 1593 O O   . HOH E 5 .   ? -46.972 -16.637 -32.171 1.00 22.16 ? 306 HOH B O   1 
HETATM 1594 O O   . HOH E 5 .   ? -32.858 1.125   -33.538 1.00 19.70 ? 307 HOH B O   1 
HETATM 1595 O O   . HOH E 5 .   ? -38.009 2.841   -22.810 1.00 16.81 ? 308 HOH B O   1 
HETATM 1596 O O   . HOH E 5 .   ? -18.615 -21.867 -35.838 1.00 15.19 ? 309 HOH B O   1 
HETATM 1597 O O   . HOH E 5 .   ? -13.385 -23.502 -31.636 1.00 13.21 ? 310 HOH B O   1 
HETATM 1598 O O   . HOH E 5 .   ? -40.078 -1.116  -9.784  1.00 25.78 ? 311 HOH B O   1 
HETATM 1599 O O   . HOH E 5 .   ? -29.380 -12.357 -37.788 1.00 21.92 ? 312 HOH B O   1 
HETATM 1600 O O   . HOH E 5 .   ? -12.724 -21.329 -18.633 1.00 28.87 ? 313 HOH B O   1 
HETATM 1601 O O   . HOH E 5 .   ? -11.287 -21.064 -25.213 1.00 30.27 ? 314 HOH B O   1 
HETATM 1602 O O   . HOH E 5 .   ? -45.181 7.528   -24.742 1.00 37.93 ? 315 HOH B O   1 
HETATM 1603 O O   . HOH E 5 .   ? -9.399  -18.554 -30.132 1.00 41.87 ? 316 HOH B O   1 
HETATM 1604 O O   . HOH E 5 .   ? -24.578 -30.933 -21.995 1.00 29.81 ? 317 HOH B O   1 
HETATM 1605 O O   . HOH E 5 .   ? -35.887 -22.471 -19.658 1.00 23.98 ? 318 HOH B O   1 
HETATM 1606 O O   . HOH E 5 .   ? -36.725 -25.913 -23.848 1.00 31.02 ? 319 HOH B O   1 
HETATM 1607 O O   . HOH E 5 .   ? -25.796 -22.600 -35.784 1.00 27.75 ? 320 HOH B O   1 
HETATM 1608 O O   . HOH E 5 .   ? -15.613 -5.470  -13.482 1.00 26.33 ? 321 HOH B O   1 
HETATM 1609 O O   . HOH E 5 .   ? -36.730 -16.208 -39.465 1.00 27.38 ? 322 HOH B O   1 
HETATM 1610 O O   . HOH E 5 .   ? -35.621 -19.114 -30.557 1.00 26.38 ? 323 HOH B O   1 
HETATM 1611 O O   . HOH E 5 .   ? -38.001 -14.193 -21.501 1.00 29.13 ? 324 HOH B O   1 
HETATM 1612 O O   . HOH E 5 .   ? -30.816 -6.681  -11.324 1.00 13.84 ? 325 HOH B O   1 
HETATM 1613 O O   . HOH E 5 .   ? -19.478 -29.747 -15.575 1.00 27.15 ? 326 HOH B O   1 
HETATM 1614 O O   . HOH E 5 .   ? -40.589 -14.348 -8.287  1.00 30.44 ? 327 HOH B O   1 
HETATM 1615 O O   . HOH E 5 .   ? -42.876 -15.337 -10.080 1.00 23.52 ? 328 HOH B O   1 
HETATM 1616 O O   . HOH E 5 .   ? -32.806 -18.123 -37.270 1.00 32.27 ? 329 HOH B O   1 
HETATM 1617 O O   . HOH E 5 .   ? -26.130 3.486   -35.255 1.00 28.44 ? 330 HOH B O   1 
HETATM 1618 O O   . HOH E 5 .   ? -17.609 -21.313 -12.404 1.00 17.11 ? 331 HOH B O   1 
HETATM 1619 O O   . HOH E 5 .   ? -36.588 -23.017 -30.775 1.00 31.25 ? 332 HOH B O   1 
HETATM 1620 O O   . HOH E 5 .   ? -8.935  -13.496 -25.166 1.00 29.56 ? 333 HOH B O   1 
HETATM 1621 O O   . HOH E 5 .   ? -37.167 -25.712 -11.401 1.00 37.95 ? 334 HOH B O   1 
HETATM 1622 O O   . HOH E 5 .   ? -16.168 -19.617 -15.607 1.00 23.16 ? 335 HOH B O   1 
HETATM 1623 O O   . HOH E 5 .   ? -23.893 1.246   -10.793 1.00 33.83 ? 336 HOH B O   1 
HETATM 1624 O O   . HOH E 5 .   ? -45.498 0.154   -11.817 1.00 16.40 ? 337 HOH B O   1 
HETATM 1625 O O   . HOH E 5 .   ? -16.776 -5.582  -9.203  1.00 30.14 ? 338 HOH B O   1 
HETATM 1626 O O   . HOH E 5 .   ? -9.368  -20.778 -28.882 1.00 29.09 ? 339 HOH B O   1 
HETATM 1627 O O   . HOH E 5 .   ? -45.111 -12.283 -26.652 1.00 24.24 ? 340 HOH B O   1 
HETATM 1628 O O   . HOH E 5 .   ? -49.688 -1.650  -19.527 1.00 21.84 ? 341 HOH B O   1 
HETATM 1629 O O   . HOH E 5 .   ? -41.928 1.544   -22.641 1.00 31.28 ? 342 HOH B O   1 
HETATM 1630 O O   . HOH E 5 .   ? -30.840 -20.282 -21.379 1.00 11.44 ? 343 HOH B O   1 
HETATM 1631 O O   . HOH E 5 .   ? -18.464 -4.596  -24.644 1.00 17.00 ? 344 HOH B O   1 
HETATM 1632 O O   . HOH E 5 .   ? -38.791 -2.454  -21.386 1.00 13.54 ? 345 HOH B O   1 
HETATM 1633 O O   . HOH E 5 .   ? -23.279 4.372   -24.615 1.00 23.33 ? 346 HOH B O   1 
HETATM 1634 O O   . HOH E 5 .   ? -30.648 1.162   -17.010 1.00 24.30 ? 347 HOH B O   1 
HETATM 1635 O O   . HOH E 5 .   ? -38.516 -7.577  -10.768 1.00 14.37 ? 348 HOH B O   1 
HETATM 1636 O O   . HOH E 5 .   ? -26.547 -25.722 -16.405 1.00 16.79 ? 349 HOH B O   1 
HETATM 1637 O O   . HOH E 5 .   ? -30.159 -23.867 -34.072 1.00 22.53 ? 350 HOH B O   1 
HETATM 1638 O O   . HOH E 5 .   ? -40.855 -9.337  -36.830 1.00 24.82 ? 351 HOH B O   1 
HETATM 1639 O O   . HOH E 5 .   ? -17.800 -19.834 -37.531 1.00 21.65 ? 352 HOH B O   1 
HETATM 1640 O O   . HOH E 5 .   ? -21.076 -5.991  -2.053  1.00 50.45 ? 353 HOH B O   1 
HETATM 1641 O O   . HOH E 5 .   ? -26.523 2.028   -11.087 1.00 29.28 ? 354 HOH B O   1 
HETATM 1642 O O   . HOH E 5 .   ? -17.622 -27.640 -19.639 1.00 17.52 ? 355 HOH B O   1 
HETATM 1643 O O   . HOH E 5 .   ? -34.043 -21.935 -31.462 1.00 17.72 ? 356 HOH B O   1 
HETATM 1644 O O   . HOH E 5 .   ? -19.363 -4.330  -22.038 1.00 14.36 ? 357 HOH B O   1 
HETATM 1645 O O   . HOH E 5 .   ? -40.211 -14.326 -31.520 1.00 13.43 ? 358 HOH B O   1 
HETATM 1646 O O   . HOH E 5 .   ? -27.207 -20.348 -7.030  1.00 15.35 ? 359 HOH B O   1 
HETATM 1647 O O   . HOH E 5 .   ? -28.420 -21.656 -8.973  1.00 16.02 ? 360 HOH B O   1 
HETATM 1648 O O   . HOH E 5 .   ? -32.256 -4.966  -12.956 1.00 12.44 ? 361 HOH B O   1 
HETATM 1649 O O   . HOH E 5 .   ? -19.201 -29.213 -23.521 1.00 21.21 ? 362 HOH B O   1 
HETATM 1650 O O   . HOH E 5 .   ? -36.165 -1.771  -33.824 1.00 16.87 ? 363 HOH B O   1 
HETATM 1651 O O   . HOH E 5 .   ? -12.447 -18.554 -34.620 1.00 35.45 ? 364 HOH B O   1 
HETATM 1652 O O   . HOH E 5 .   ? -26.787 -17.712 -7.755  1.00 14.49 ? 365 HOH B O   1 
HETATM 1653 O O   . HOH E 5 .   ? -33.375 -1.868  -38.455 1.00 26.48 ? 366 HOH B O   1 
HETATM 1654 O O   . HOH E 5 .   ? -25.870 -14.256 -3.020  1.00 25.01 ? 367 HOH B O   1 
HETATM 1655 O O   . HOH E 5 .   ? -20.966 -16.417 -5.492  1.00 16.26 ? 368 HOH B O   1 
HETATM 1656 O O   . HOH E 5 .   ? -19.744 1.835   -30.467 1.00 31.72 ? 369 HOH B O   1 
HETATM 1657 O O   . HOH E 5 .   ? -35.359 -4.535  -42.193 1.00 21.80 ? 370 HOH B O   1 
HETATM 1658 O O   . HOH E 5 .   ? -38.441 3.868   -42.201 1.00 22.00 ? 371 HOH B O   1 
HETATM 1659 O O   . HOH E 5 .   ? -36.504 -0.968  -22.130 1.00 12.71 ? 372 HOH B O   1 
HETATM 1660 O O   . HOH E 5 .   ? -10.320 -23.529 -21.847 1.00 28.54 ? 373 HOH B O   1 
HETATM 1661 O O   . HOH E 5 .   ? -23.303 2.342   -22.991 1.00 24.80 ? 374 HOH B O   1 
HETATM 1662 O O   . HOH E 5 .   ? -17.986 -4.387  -5.759  1.00 36.40 ? 375 HOH B O   1 
HETATM 1663 O O   . HOH E 5 .   ? -42.517 -5.761  -12.181 1.00 18.33 ? 376 HOH B O   1 
HETATM 1664 O O   . HOH E 5 .   ? -36.257 5.581   -15.954 1.00 25.05 ? 377 HOH B O   1 
HETATM 1665 O O   . HOH E 5 .   ? -37.008 0.793   -15.582 1.00 15.22 ? 378 HOH B O   1 
HETATM 1666 O O   . HOH E 5 .   ? -40.958 -5.966  -38.055 1.00 23.92 ? 379 HOH B O   1 
HETATM 1667 O O   . HOH E 5 .   ? -33.858 -21.841 -36.561 1.00 36.95 ? 380 HOH B O   1 
HETATM 1668 O O   . HOH E 5 .   ? -42.196 -3.828  -39.540 1.00 20.30 ? 381 HOH B O   1 
HETATM 1669 O O   . HOH E 5 .   ? -41.581 -9.720  -43.834 1.00 27.33 ? 382 HOH B O   1 
HETATM 1670 O O   . HOH E 5 .   ? -45.727 -14.701 -27.747 1.00 29.12 ? 383 HOH B O   1 
HETATM 1671 O O   . HOH E 5 .   ? -45.839 -4.256  -33.963 1.00 18.23 ? 384 HOH B O   1 
HETATM 1672 O O   . HOH E 5 .   ? -41.378 -7.798  -3.335  1.00 40.18 ? 385 HOH B O   1 
HETATM 1673 O O   . HOH E 5 .   ? -52.370 -14.199 -29.150 1.00 40.86 ? 386 HOH B O   1 
HETATM 1674 O O   . HOH E 5 .   ? -18.271 -17.279 -36.419 1.00 23.16 ? 387 HOH B O   1 
HETATM 1675 O O   . HOH E 5 .   ? -24.077 -12.364 -6.478  1.00 17.01 ? 388 HOH B O   1 
HETATM 1676 O O   . HOH E 5 .   ? -25.296 -10.436 -23.548 1.00 12.09 ? 389 HOH B O   1 
HETATM 1677 O O   . HOH E 5 .   ? -23.702 -21.020 -38.875 1.00 22.43 ? 390 HOH B O   1 
HETATM 1678 O O   . HOH E 5 .   ? -27.774 -27.571 -25.789 1.00 28.90 ? 391 HOH B O   1 
HETATM 1679 O O   . HOH E 5 .   ? -35.549 -17.034 -8.125  1.00 28.58 ? 392 HOH B O   1 
HETATM 1680 O O   . HOH E 5 .   ? -13.293 -20.966 -35.080 1.00 28.31 ? 393 HOH B O   1 
HETATM 1681 O O   . HOH E 5 .   ? -24.872 -15.021 -6.842  1.00 14.79 ? 394 HOH B O   1 
HETATM 1682 O O   . HOH E 5 .   ? -14.928 -19.756 -37.566 1.00 21.70 ? 395 HOH B O   1 
HETATM 1683 O O   . HOH E 5 .   ? -45.533 -19.685 -31.969 1.00 27.85 ? 396 HOH B O   1 
HETATM 1684 O O   . HOH E 5 .   ? -41.430 -8.464  -13.271 1.00 18.69 ? 397 HOH B O   1 
HETATM 1685 O O   . HOH E 5 .   ? -33.306 -14.900 -7.001  1.00 19.43 ? 398 HOH B O   1 
HETATM 1686 O O   . HOH E 5 .   ? -25.707 -26.934 -23.878 1.00 16.16 ? 399 HOH B O   1 
HETATM 1687 O O   . HOH E 5 .   ? -31.471 3.510   -26.816 1.00 23.05 ? 400 HOH B O   1 
HETATM 1688 O O   . HOH E 5 .   ? -39.906 2.728   -16.101 1.00 15.54 ? 401 HOH B O   1 
HETATM 1689 O O   . HOH E 5 .   ? -25.018 -11.056 -4.136  1.00 21.53 ? 402 HOH B O   1 
HETATM 1690 O O   . HOH E 5 .   ? -28.674 7.993   -30.062 1.00 29.06 ? 403 HOH B O   1 
HETATM 1691 O O   . HOH E 5 .   ? -15.910 -12.129 -5.579  1.00 42.50 ? 404 HOH B O   1 
HETATM 1692 O O   . HOH E 5 .   ? -34.690 -8.966  -6.079  1.00 37.23 ? 405 HOH B O   1 
HETATM 1693 O O   . HOH E 5 .   ? -9.321  -15.891 -26.491 1.00 25.31 ? 406 HOH B O   1 
HETATM 1694 O O   . HOH E 5 .   ? -34.287 -7.190  -8.033  1.00 25.87 ? 407 HOH B O   1 
HETATM 1695 O O   . HOH E 5 .   ? -18.099 -16.068 -6.112  1.00 21.59 ? 408 HOH B O   1 
HETATM 1696 O O   . HOH E 5 .   ? -42.285 -4.933  -43.730 1.00 21.24 ? 409 HOH B O   1 
HETATM 1697 O O   . HOH E 5 .   ? -30.946 4.132   -24.307 1.00 24.40 ? 410 HOH B O   1 
HETATM 1698 O O   . HOH E 5 .   ? -16.141 -14.708 -8.569  1.00 29.99 ? 411 HOH B O   1 
HETATM 1699 O O   . HOH E 5 .   ? -14.280 -16.400 -32.981 1.00 25.63 ? 412 HOH B O   1 
HETATM 1700 O O   . HOH E 5 .   ? -41.421 5.293   -28.322 1.00 26.64 ? 413 HOH B O   1 
HETATM 1701 O O   . HOH E 5 .   ? -17.841 -11.061 -35.587 1.00 23.81 ? 414 HOH B O   1 
HETATM 1702 O O   . HOH E 5 .   ? -24.967 7.109   -28.928 1.00 26.67 ? 415 HOH B O   1 
HETATM 1703 O O   . HOH E 5 .   ? -38.692 3.892   -13.692 1.00 31.08 ? 416 HOH B O   1 
HETATM 1704 O O   . HOH E 5 .   ? -39.901 -11.910 -22.676 1.00 28.17 ? 417 HOH B O   1 
HETATM 1705 O O   . HOH E 5 .   ? -40.774 6.399   -33.062 1.00 29.51 ? 418 HOH B O   1 
HETATM 1706 O O   . HOH E 5 .   ? -36.223 -0.051  -41.820 1.00 35.41 ? 419 HOH B O   1 
HETATM 1707 O O   . HOH E 5 .   ? -13.186 -6.198  -29.179 1.00 27.78 ? 420 HOH B O   1 
HETATM 1708 O O   . HOH E 5 .   ? -41.093 -8.740  -19.403 1.00 13.98 ? 421 HOH B O   1 
HETATM 1709 O O   . HOH E 5 .   ? -40.277 -7.377  -34.863 1.00 19.36 ? 422 HOH B O   1 
HETATM 1710 O O   . HOH E 5 .   ? -43.852 -0.573  -24.349 1.00 24.01 ? 423 HOH B O   1 
HETATM 1711 O O   . HOH E 5 .   ? -43.310 3.771   -18.872 1.00 20.08 ? 424 HOH B O   1 
HETATM 1712 O O   . HOH E 5 .   ? -30.794 -17.399 -42.758 1.00 33.99 ? 425 HOH B O   1 
HETATM 1713 O O   . HOH E 5 .   ? -19.959 2.333   -23.963 1.00 36.69 ? 426 HOH B O   1 
HETATM 1714 O O   . HOH E 5 .   ? -24.215 -4.262  -36.952 1.00 33.76 ? 427 HOH B O   1 
HETATM 1715 O O   . HOH E 5 .   ? -16.114 -7.500  -11.275 1.00 24.96 ? 428 HOH B O   1 
HETATM 1716 O O   . HOH E 5 .   ? -47.685 0.000   -32.934 0.50 20.30 ? 429 HOH B O   1 
HETATM 1717 O O   . HOH E 5 .   ? -32.682 -23.592 -33.440 1.00 33.75 ? 430 HOH B O   1 
HETATM 1718 O O   . HOH E 5 .   ? -8.515  -22.910 -30.389 1.00 24.81 ? 431 HOH B O   1 
HETATM 1719 O O   . HOH E 5 .   ? -36.647 -6.537  -8.996  1.00 25.78 ? 432 HOH B O   1 
HETATM 1720 O O   . HOH E 5 .   ? -26.269 -28.226 -21.495 1.00 32.67 ? 433 HOH B O   1 
HETATM 1721 O O   . HOH E 5 .   ? -21.578 6.908   -32.261 1.00 27.43 ? 434 HOH B O   1 
HETATM 1722 O O   . HOH E 5 .   ? -34.451 5.539   -18.211 1.00 33.42 ? 435 HOH B O   1 
HETATM 1723 O O   . HOH E 5 .   ? -40.233 5.169   -22.080 1.00 26.65 ? 436 HOH B O   1 
HETATM 1724 O O   . HOH E 5 .   ? -22.818 3.370   -20.591 1.00 34.20 ? 437 HOH B O   1 
HETATM 1725 O O   . HOH E 5 .   ? -36.596 2.264   -43.116 1.00 34.42 ? 438 HOH B O   1 
HETATM 1726 O O   . HOH E 5 .   ? -38.683 -16.445 -41.037 1.00 33.83 ? 439 HOH B O   1 
HETATM 1727 O O   . HOH E 5 .   ? -15.934 -22.326 -14.491 1.00 26.84 ? 440 HOH B O   1 
HETATM 1728 O O   . HOH E 5 .   ? -28.372 -27.695 -16.904 1.00 21.70 ? 441 HOH B O   1 
HETATM 1729 O O   . HOH E 5 .   ? -26.388 -31.067 -23.977 1.00 24.83 ? 442 HOH B O   1 
HETATM 1730 O O   . HOH E 5 .   ? -16.131 -26.923 -17.210 1.00 35.23 ? 443 HOH B O   1 
HETATM 1731 O O   . HOH E 5 .   ? -42.271 -12.970 -22.542 1.00 27.55 ? 444 HOH B O   1 
# 
