data_9EQR
# 
_entry.id   9EQR 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_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   9EQR         pdb_00009eqr 10.2210/pdb9eqr/pdb 
WWPDB D_1292137432 ?            ?                   
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
_pdbx_audit_revision_history.part_number 
1 'Structure model' 1 0 2025-04-02 ? 
2 'Structure model' 1 1 2025-04-23 ? 
3 'Structure model' 1 2 2025-05-14 ? 
# 
_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             ? 
# 
loop_
_pdbx_audit_revision_group.ordinal 
_pdbx_audit_revision_group.revision_ordinal 
_pdbx_audit_revision_group.data_content_type 
_pdbx_audit_revision_group.group 
1 2 'Structure model' 'Database references' 
2 3 'Structure model' 'Database references' 
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 2 'Structure model' citation        
2 2 'Structure model' citation_author 
3 3 'Structure model' citation        
4 3 'Structure model' citation_author 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1  2 'Structure model' '_citation.country'                 
2  2 'Structure model' '_citation.journal_abbrev'          
3  2 'Structure model' '_citation.journal_id_CSD'          
4  2 'Structure model' '_citation.journal_id_ISSN'         
5  2 'Structure model' '_citation.pdbx_database_id_DOI'    
6  2 'Structure model' '_citation.pdbx_database_id_PubMed' 
7  2 'Structure model' '_citation.title'                   
8  2 'Structure model' '_citation.year'                    
9  2 'Structure model' '_citation_author.identifier_ORCID' 
10 2 'Structure model' '_citation_author.name'             
11 3 'Structure model' '_citation.journal_volume'          
12 3 'Structure model' '_citation.page_first'              
13 3 'Structure model' '_citation.page_last'               
14 3 'Structure model' '_citation_author.identifier_ORCID' 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9EQR 
_pdbx_database_status.recvd_initial_deposition_date   2024-03-22 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
loop_
_pdbx_contact_author.id 
_pdbx_contact_author.email 
_pdbx_contact_author.name_first 
_pdbx_contact_author.name_last 
_pdbx_contact_author.name_mi 
_pdbx_contact_author.role 
_pdbx_contact_author.identifier_ORCID 
5 robin.owen@diamond.ac.uk    Robin   Owen  ? 'principal investigator/group leader' 0000-0002-2104-7057 
6 Michael.Hough@diamond.ac.uk Michael Hough ? 'principal investigator/group leader' 0000-0001-7377-6713 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Owen, R.L.'   1 ? 
'Hough, M.A.'  2 ? 
'Worrall, J.'  3 ? 
'Williams, L.' 4 ? 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   UK 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Iucrj 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           2052-2525 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            12 
_citation.language                  ? 
_citation.page_first                358 
_citation.page_last                 371 
_citation.title                     
'Damage before destruction? X-ray-induced changes in single-pulse serial femtosecond crystallography.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1107/S2052252525002660 
_citation.pdbx_database_id_PubMed   40227256 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Williams, L.J.'     1  ? 
primary 'Thompson, A.J.'     2  ? 
primary 'Dijkstal, P.'       3  ? 
primary 'Appleby, M.'        4  ? 
primary 'Assmann, G.'        5  ? 
primary 'Dworkowski, F.S.N.' 6  ? 
primary 'Hiller, N.'         7  ? 
primary 'Huang, C.Y.'        8  ? 
primary 'Mason, T.'          9  ? 
primary 'Perrett, S.'        10 ? 
primary 'Prat, E.'           11 ? 
primary 'Voulot, D.'         12 ? 
primary 'Pedrini, B.'        13 ? 
primary 'Beale, J.H.'        14 ? 
primary 'Hough, M.A.'        15 ? 
primary 'Worrall, J.A.R.'    16 ? 
primary 'Owen, R.L.'         17 ? 
# 
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     nat 'Thaumatin I'        22228.043 1   ? ? ? ? 
2 non-polymer syn 'L(+)-TARTARIC ACID' 150.087   1   ? ? ? ? 
3 water       nat water                18.015    155 ? ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        Thaumatin-1 
# 
_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       
;ATFEIVNRCSYTVWAAASKGDAALDAGGRQLNSGESWTINVEPGTNGGKIWARTDCYFDDSGSGICKTGDCGGLLRCKRF
GRPPTTLAEFSLNQYGKDYIDISNIKGFNVPMDFSPTTRGCRGVRCAADIVGQCPAKLKAPGGGCNDACTVFQTSEYCCT
TGKCGPTEYSRFFKRLCPDAFSYVLDKPTTVTCPGSSNYRVTFCPTA
;
_entity_poly.pdbx_seq_one_letter_code_can   
;ATFEIVNRCSYTVWAAASKGDAALDAGGRQLNSGESWTINVEPGTNGGKIWARTDCYFDDSGSGICKTGDCGGLLRCKRF
GRPPTTLAEFSLNQYGKDYIDISNIKGFNVPMDFSPTTRGCRGVRCAADIVGQCPAKLKAPGGGCNDACTVFQTSEYCCT
TGKCGPTEYSRFFKRLCPDAFSYVLDKPTTVTCPGSSNYRVTFCPTA
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'L(+)-TARTARIC ACID' TLA 
3 water                HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   ALA n 
1 2   THR n 
1 3   PHE n 
1 4   GLU n 
1 5   ILE n 
1 6   VAL n 
1 7   ASN n 
1 8   ARG n 
1 9   CYS n 
1 10  SER n 
1 11  TYR n 
1 12  THR n 
1 13  VAL n 
1 14  TRP n 
1 15  ALA n 
1 16  ALA n 
1 17  ALA n 
1 18  SER n 
1 19  LYS n 
1 20  GLY n 
1 21  ASP n 
1 22  ALA n 
1 23  ALA n 
1 24  LEU n 
1 25  ASP n 
1 26  ALA n 
1 27  GLY n 
1 28  GLY n 
1 29  ARG n 
1 30  GLN n 
1 31  LEU n 
1 32  ASN n 
1 33  SER n 
1 34  GLY n 
1 35  GLU n 
1 36  SER n 
1 37  TRP n 
1 38  THR n 
1 39  ILE n 
1 40  ASN n 
1 41  VAL n 
1 42  GLU n 
1 43  PRO n 
1 44  GLY n 
1 45  THR n 
1 46  ASN n 
1 47  GLY n 
1 48  GLY n 
1 49  LYS n 
1 50  ILE n 
1 51  TRP n 
1 52  ALA n 
1 53  ARG n 
1 54  THR n 
1 55  ASP n 
1 56  CYS n 
1 57  TYR n 
1 58  PHE n 
1 59  ASP n 
1 60  ASP n 
1 61  SER n 
1 62  GLY n 
1 63  SER n 
1 64  GLY n 
1 65  ILE n 
1 66  CYS n 
1 67  LYS n 
1 68  THR n 
1 69  GLY n 
1 70  ASP n 
1 71  CYS n 
1 72  GLY n 
1 73  GLY n 
1 74  LEU n 
1 75  LEU n 
1 76  ARG n 
1 77  CYS n 
1 78  LYS n 
1 79  ARG n 
1 80  PHE n 
1 81  GLY n 
1 82  ARG n 
1 83  PRO n 
1 84  PRO n 
1 85  THR n 
1 86  THR n 
1 87  LEU n 
1 88  ALA n 
1 89  GLU n 
1 90  PHE n 
1 91  SER n 
1 92  LEU n 
1 93  ASN n 
1 94  GLN n 
1 95  TYR n 
1 96  GLY n 
1 97  LYS n 
1 98  ASP n 
1 99  TYR n 
1 100 ILE n 
1 101 ASP n 
1 102 ILE n 
1 103 SER n 
1 104 ASN n 
1 105 ILE n 
1 106 LYS n 
1 107 GLY n 
1 108 PHE n 
1 109 ASN n 
1 110 VAL n 
1 111 PRO n 
1 112 MET n 
1 113 ASP n 
1 114 PHE n 
1 115 SER n 
1 116 PRO n 
1 117 THR n 
1 118 THR n 
1 119 ARG n 
1 120 GLY n 
1 121 CYS n 
1 122 ARG n 
1 123 GLY n 
1 124 VAL n 
1 125 ARG n 
1 126 CYS n 
1 127 ALA n 
1 128 ALA n 
1 129 ASP n 
1 130 ILE n 
1 131 VAL n 
1 132 GLY n 
1 133 GLN n 
1 134 CYS n 
1 135 PRO n 
1 136 ALA n 
1 137 LYS n 
1 138 LEU n 
1 139 LYS n 
1 140 ALA n 
1 141 PRO n 
1 142 GLY n 
1 143 GLY n 
1 144 GLY n 
1 145 CYS n 
1 146 ASN n 
1 147 ASP n 
1 148 ALA n 
1 149 CYS n 
1 150 THR n 
1 151 VAL n 
1 152 PHE n 
1 153 GLN n 
1 154 THR n 
1 155 SER n 
1 156 GLU n 
1 157 TYR n 
1 158 CYS n 
1 159 CYS n 
1 160 THR n 
1 161 THR n 
1 162 GLY n 
1 163 LYS n 
1 164 CYS n 
1 165 GLY n 
1 166 PRO n 
1 167 THR n 
1 168 GLU n 
1 169 TYR n 
1 170 SER n 
1 171 ARG n 
1 172 PHE n 
1 173 PHE n 
1 174 LYS n 
1 175 ARG n 
1 176 LEU n 
1 177 CYS n 
1 178 PRO n 
1 179 ASP n 
1 180 ALA n 
1 181 PHE n 
1 182 SER n 
1 183 TYR n 
1 184 VAL n 
1 185 LEU n 
1 186 ASP n 
1 187 LYS n 
1 188 PRO n 
1 189 THR n 
1 190 THR n 
1 191 VAL n 
1 192 THR n 
1 193 CYS n 
1 194 PRO n 
1 195 GLY n 
1 196 SER n 
1 197 SER n 
1 198 ASN n 
1 199 TYR n 
1 200 ARG n 
1 201 VAL n 
1 202 THR n 
1 203 PHE n 
1 204 CYS n 
1 205 PRO n 
1 206 THR n 
1 207 ALA n 
# 
_entity_src_nat.entity_id                  1 
_entity_src_nat.pdbx_src_id                1 
_entity_src_nat.pdbx_alt_source_flag       sample 
_entity_src_nat.pdbx_beg_seq_num           1 
_entity_src_nat.pdbx_end_seq_num           207 
_entity_src_nat.common_name                ? 
_entity_src_nat.pdbx_organism_scientific   'Thaumatococcus daniellii' 
_entity_src_nat.pdbx_ncbi_taxonomy_id      4621 
_entity_src_nat.genus                      ? 
_entity_src_nat.species                    ? 
_entity_src_nat.strain                     ? 
_entity_src_nat.tissue                     ? 
_entity_src_nat.tissue_fraction            ? 
_entity_src_nat.pdbx_secretion             ? 
_entity_src_nat.pdbx_fragment              ? 
_entity_src_nat.pdbx_variant               ? 
_entity_src_nat.pdbx_cell_line             ? 
_entity_src_nat.pdbx_atcc                  ? 
_entity_src_nat.pdbx_cellular_location     ? 
_entity_src_nat.pdbx_organ                 ? 
_entity_src_nat.pdbx_organelle             ? 
_entity_src_nat.pdbx_cell                  ? 
_entity_src_nat.pdbx_plasmid_name          ? 
_entity_src_nat.pdbx_plasmid_details       ? 
_entity_src_nat.details                    ? 
# 
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 
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  
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 
THR 'L-peptide linking' y THREONINE            ? 'C4 H9 N O3'     119.119 
TLA non-polymer         . 'L(+)-TARTARIC ACID' ? 'C4 H6 O6'       150.087 
TRP 'L-peptide linking' y TRYPTOPHAN           ? 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE             ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE               ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   ALA 1   1   1   ALA ALA A . n 
A 1 2   THR 2   2   2   THR THR A . n 
A 1 3   PHE 3   3   3   PHE PHE A . n 
A 1 4   GLU 4   4   4   GLU GLU A . n 
A 1 5   ILE 5   5   5   ILE ILE A . n 
A 1 6   VAL 6   6   6   VAL VAL A . n 
A 1 7   ASN 7   7   7   ASN ASN A . n 
A 1 8   ARG 8   8   8   ARG ARG A . n 
A 1 9   CYS 9   9   9   CYS CYS A . n 
A 1 10  SER 10  10  10  SER SER A . n 
A 1 11  TYR 11  11  11  TYR TYR A . n 
A 1 12  THR 12  12  12  THR THR A . n 
A 1 13  VAL 13  13  13  VAL VAL A . n 
A 1 14  TRP 14  14  14  TRP TRP A . n 
A 1 15  ALA 15  15  15  ALA ALA A . n 
A 1 16  ALA 16  16  16  ALA ALA A . n 
A 1 17  ALA 17  17  17  ALA ALA A . n 
A 1 18  SER 18  18  18  SER SER A . n 
A 1 19  LYS 19  19  19  LYS LYS A . n 
A 1 20  GLY 20  20  20  GLY GLY A . n 
A 1 21  ASP 21  21  21  ASP ASP A . n 
A 1 22  ALA 22  22  22  ALA ALA A . n 
A 1 23  ALA 23  23  23  ALA ALA A . n 
A 1 24  LEU 24  24  24  LEU LEU A . n 
A 1 25  ASP 25  25  25  ASP ASP A . n 
A 1 26  ALA 26  26  26  ALA ALA A . n 
A 1 27  GLY 27  27  27  GLY GLY A . n 
A 1 28  GLY 28  28  28  GLY GLY A . n 
A 1 29  ARG 29  29  29  ARG ARG A . n 
A 1 30  GLN 30  30  30  GLN GLN A . n 
A 1 31  LEU 31  31  31  LEU LEU A . n 
A 1 32  ASN 32  32  32  ASN ASN A . n 
A 1 33  SER 33  33  33  SER SER A . n 
A 1 34  GLY 34  34  34  GLY GLY A . n 
A 1 35  GLU 35  35  35  GLU GLU A . n 
A 1 36  SER 36  36  36  SER SER A . n 
A 1 37  TRP 37  37  37  TRP TRP A . n 
A 1 38  THR 38  38  38  THR THR A . n 
A 1 39  ILE 39  39  39  ILE ILE A . n 
A 1 40  ASN 40  40  40  ASN ASN A . n 
A 1 41  VAL 41  41  41  VAL VAL A . n 
A 1 42  GLU 42  42  42  GLU GLU A . n 
A 1 43  PRO 43  43  43  PRO PRO A . n 
A 1 44  GLY 44  44  44  GLY GLY A . n 
A 1 45  THR 45  45  45  THR THR A . n 
A 1 46  ASN 46  46  46  ASN ASN A . n 
A 1 47  GLY 47  47  47  GLY GLY A . n 
A 1 48  GLY 48  48  48  GLY GLY A . n 
A 1 49  LYS 49  49  49  LYS LYS A . n 
A 1 50  ILE 50  50  50  ILE ILE A . n 
A 1 51  TRP 51  51  51  TRP TRP A . n 
A 1 52  ALA 52  52  52  ALA ALA A . n 
A 1 53  ARG 53  53  53  ARG ARG A . n 
A 1 54  THR 54  54  54  THR THR A . n 
A 1 55  ASP 55  55  55  ASP ASP A . n 
A 1 56  CYS 56  56  56  CYS CYS A . n 
A 1 57  TYR 57  57  57  TYR TYR A . n 
A 1 58  PHE 58  58  58  PHE PHE A . n 
A 1 59  ASP 59  59  59  ASP ASP A . n 
A 1 60  ASP 60  60  60  ASP ASP A . n 
A 1 61  SER 61  61  61  SER SER A . n 
A 1 62  GLY 62  62  62  GLY GLY A . n 
A 1 63  SER 63  63  63  SER SER A . n 
A 1 64  GLY 64  64  64  GLY GLY A . n 
A 1 65  ILE 65  65  65  ILE ILE A . n 
A 1 66  CYS 66  66  66  CYS CYS A . n 
A 1 67  LYS 67  67  67  LYS LYS A . n 
A 1 68  THR 68  68  68  THR THR A . n 
A 1 69  GLY 69  69  69  GLY GLY A . n 
A 1 70  ASP 70  70  70  ASP ASP A . n 
A 1 71  CYS 71  71  71  CYS CYS A . n 
A 1 72  GLY 72  72  72  GLY GLY A . n 
A 1 73  GLY 73  73  73  GLY GLY A . n 
A 1 74  LEU 74  74  74  LEU LEU A . n 
A 1 75  LEU 75  75  75  LEU LEU A . n 
A 1 76  ARG 76  76  76  ARG ARG A . n 
A 1 77  CYS 77  77  77  CYS CYS A . n 
A 1 78  LYS 78  78  78  LYS LYS A . n 
A 1 79  ARG 79  79  79  ARG ARG A . n 
A 1 80  PHE 80  80  80  PHE PHE A . n 
A 1 81  GLY 81  81  81  GLY GLY A . n 
A 1 82  ARG 82  82  82  ARG ARG A . n 
A 1 83  PRO 83  83  83  PRO PRO A . n 
A 1 84  PRO 84  84  84  PRO PRO A . n 
A 1 85  THR 85  85  85  THR THR A . n 
A 1 86  THR 86  86  86  THR THR A . n 
A 1 87  LEU 87  87  87  LEU LEU A . n 
A 1 88  ALA 88  88  88  ALA ALA A . n 
A 1 89  GLU 89  89  89  GLU GLU A . n 
A 1 90  PHE 90  90  90  PHE PHE A . n 
A 1 91  SER 91  91  91  SER SER A . n 
A 1 92  LEU 92  92  92  LEU LEU A . n 
A 1 93  ASN 93  93  93  ASN ASN A . n 
A 1 94  GLN 94  94  94  GLN GLN A . n 
A 1 95  TYR 95  95  95  TYR TYR A . n 
A 1 96  GLY 96  96  96  GLY GLY A . n 
A 1 97  LYS 97  97  97  LYS LYS A . n 
A 1 98  ASP 98  98  98  ASP ASP A . n 
A 1 99  TYR 99  99  99  TYR TYR A . n 
A 1 100 ILE 100 100 100 ILE ILE A . n 
A 1 101 ASP 101 101 101 ASP ASP A . n 
A 1 102 ILE 102 102 102 ILE ILE A . n 
A 1 103 SER 103 103 103 SER SER A . n 
A 1 104 ASN 104 104 104 ASN ASN A . n 
A 1 105 ILE 105 105 105 ILE ILE A . n 
A 1 106 LYS 106 106 106 LYS LYS A . n 
A 1 107 GLY 107 107 107 GLY GLY A . n 
A 1 108 PHE 108 108 108 PHE PHE A . n 
A 1 109 ASN 109 109 109 ASN ASN A . n 
A 1 110 VAL 110 110 110 VAL VAL A . n 
A 1 111 PRO 111 111 111 PRO PRO A . n 
A 1 112 MET 112 112 112 MET MET A . n 
A 1 113 ASP 113 113 113 ASP ASP A . n 
A 1 114 PHE 114 114 114 PHE PHE A . n 
A 1 115 SER 115 115 115 SER SER A . n 
A 1 116 PRO 116 116 116 PRO PRO A . n 
A 1 117 THR 117 117 117 THR THR A . n 
A 1 118 THR 118 118 118 THR THR A . n 
A 1 119 ARG 119 119 119 ARG ARG A . n 
A 1 120 GLY 120 120 120 GLY GLY A . n 
A 1 121 CYS 121 121 121 CYS CYS A . n 
A 1 122 ARG 122 122 122 ARG ARG A . n 
A 1 123 GLY 123 123 123 GLY GLY A . n 
A 1 124 VAL 124 124 124 VAL VAL A . n 
A 1 125 ARG 125 125 125 ARG ARG A . n 
A 1 126 CYS 126 126 126 CYS CYS A . n 
A 1 127 ALA 127 127 127 ALA ALA A . n 
A 1 128 ALA 128 128 128 ALA ALA A . n 
A 1 129 ASP 129 129 129 ASP ASP A . n 
A 1 130 ILE 130 130 130 ILE ILE A . n 
A 1 131 VAL 131 131 131 VAL VAL A . n 
A 1 132 GLY 132 132 132 GLY GLY A . n 
A 1 133 GLN 133 133 133 GLN GLN A . n 
A 1 134 CYS 134 134 134 CYS CYS A . n 
A 1 135 PRO 135 135 135 PRO PRO A . n 
A 1 136 ALA 136 136 136 ALA ALA A . n 
A 1 137 LYS 137 137 137 LYS LYS A . n 
A 1 138 LEU 138 138 138 LEU LEU A . n 
A 1 139 LYS 139 139 139 LYS LYS A . n 
A 1 140 ALA 140 140 140 ALA ALA A . n 
A 1 141 PRO 141 141 141 PRO PRO A . n 
A 1 142 GLY 142 142 142 GLY GLY A . n 
A 1 143 GLY 143 143 143 GLY GLY A . n 
A 1 144 GLY 144 144 144 GLY GLY A . n 
A 1 145 CYS 145 145 145 CYS CYS A . n 
A 1 146 ASN 146 146 146 ASN ASN A . n 
A 1 147 ASP 147 147 147 ASP ASP A . n 
A 1 148 ALA 148 148 148 ALA ALA A . n 
A 1 149 CYS 149 149 149 CYS CYS A . n 
A 1 150 THR 150 150 150 THR THR A . n 
A 1 151 VAL 151 151 151 VAL VAL A . n 
A 1 152 PHE 152 152 152 PHE PHE A . n 
A 1 153 GLN 153 153 153 GLN GLN A . n 
A 1 154 THR 154 154 154 THR THR A . n 
A 1 155 SER 155 155 155 SER SER A . n 
A 1 156 GLU 156 156 156 GLU GLU A . n 
A 1 157 TYR 157 157 157 TYR TYR A . n 
A 1 158 CYS 158 158 158 CYS CYS A . n 
A 1 159 CYS 159 159 159 CYS CYS A . n 
A 1 160 THR 160 160 160 THR THR A . n 
A 1 161 THR 161 161 161 THR THR A . n 
A 1 162 GLY 162 162 162 GLY GLY A . n 
A 1 163 LYS 163 163 163 LYS LYS A . n 
A 1 164 CYS 164 164 164 CYS CYS A . n 
A 1 165 GLY 165 165 165 GLY GLY A . n 
A 1 166 PRO 166 166 166 PRO PRO A . n 
A 1 167 THR 167 167 167 THR THR A . n 
A 1 168 GLU 168 168 168 GLU GLU A . n 
A 1 169 TYR 169 169 169 TYR TYR A . n 
A 1 170 SER 170 170 170 SER SER A . n 
A 1 171 ARG 171 171 171 ARG ARG A . n 
A 1 172 PHE 172 172 172 PHE PHE A . n 
A 1 173 PHE 173 173 173 PHE PHE A . n 
A 1 174 LYS 174 174 174 LYS LYS A . n 
A 1 175 ARG 175 175 175 ARG ARG A . n 
A 1 176 LEU 176 176 176 LEU LEU A . n 
A 1 177 CYS 177 177 177 CYS CYS A . n 
A 1 178 PRO 178 178 178 PRO PRO A . n 
A 1 179 ASP 179 179 179 ASP ASP A . n 
A 1 180 ALA 180 180 180 ALA ALA A . n 
A 1 181 PHE 181 181 181 PHE PHE A . n 
A 1 182 SER 182 182 182 SER SER A . n 
A 1 183 TYR 183 183 183 TYR TYR A . n 
A 1 184 VAL 184 184 184 VAL VAL A . n 
A 1 185 LEU 185 185 185 LEU LEU A . n 
A 1 186 ASP 186 186 186 ASP ASP A . n 
A 1 187 LYS 187 187 187 LYS LYS A . n 
A 1 188 PRO 188 188 188 PRO PRO A . n 
A 1 189 THR 189 189 189 THR THR A . n 
A 1 190 THR 190 190 190 THR THR A . n 
A 1 191 VAL 191 191 191 VAL VAL A . n 
A 1 192 THR 192 192 192 THR THR A . n 
A 1 193 CYS 193 193 193 CYS CYS A . n 
A 1 194 PRO 194 194 194 PRO PRO A . n 
A 1 195 GLY 195 195 195 GLY GLY A . n 
A 1 196 SER 196 196 196 SER SER A . n 
A 1 197 SER 197 197 197 SER SER A . n 
A 1 198 ASN 198 198 198 ASN ASN A . n 
A 1 199 TYR 199 199 199 TYR TYR A . n 
A 1 200 ARG 200 200 200 ARG ARG A . n 
A 1 201 VAL 201 201 201 VAL VAL A . n 
A 1 202 THR 202 202 202 THR THR A . n 
A 1 203 PHE 203 203 203 PHE PHE A . n 
A 1 204 CYS 204 204 204 CYS CYS A . n 
A 1 205 PRO 205 205 205 PRO PRO A . n 
A 1 206 THR 206 206 206 THR THR A . n 
A 1 207 ALA 207 207 ?   ?   ?   A . n 
# 
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 TLA 1   301 301 TLA TLA A . 
C 3 HOH 1   401 401 HOH HOH A . 
C 3 HOH 2   402 403 HOH HOH A . 
C 3 HOH 3   403 402 HOH HOH A . 
C 3 HOH 4   404 404 HOH HOH A . 
C 3 HOH 5   405 407 HOH HOH A . 
C 3 HOH 6   406 405 HOH HOH A . 
C 3 HOH 7   407 406 HOH HOH A . 
C 3 HOH 8   408 408 HOH HOH A . 
C 3 HOH 9   409 410 HOH HOH A . 
C 3 HOH 10  410 409 HOH HOH A . 
C 3 HOH 11  411 415 HOH HOH A . 
C 3 HOH 12  412 414 HOH HOH A . 
C 3 HOH 13  413 412 HOH HOH A . 
C 3 HOH 14  414 413 HOH HOH A . 
C 3 HOH 15  415 416 HOH HOH A . 
C 3 HOH 16  416 420 HOH HOH A . 
C 3 HOH 17  417 417 HOH HOH A . 
C 3 HOH 18  418 419 HOH HOH A . 
C 3 HOH 19  419 421 HOH HOH A . 
C 3 HOH 20  420 418 HOH HOH A . 
C 3 HOH 21  421 423 HOH HOH A . 
C 3 HOH 22  422 422 HOH HOH A . 
C 3 HOH 23  423 426 HOH HOH A . 
C 3 HOH 24  424 425 HOH HOH A . 
C 3 HOH 25  425 424 HOH HOH A . 
C 3 HOH 26  426 427 HOH HOH A . 
C 3 HOH 27  427 429 HOH HOH A . 
C 3 HOH 28  428 430 HOH HOH A . 
C 3 HOH 29  429 428 HOH HOH A . 
C 3 HOH 30  430 449 HOH HOH A . 
C 3 HOH 31  431 432 HOH HOH A . 
C 3 HOH 32  432 431 HOH HOH A . 
C 3 HOH 33  433 433 HOH HOH A . 
C 3 HOH 34  434 437 HOH HOH A . 
C 3 HOH 35  435 435 HOH HOH A . 
C 3 HOH 36  436 439 HOH HOH A . 
C 3 HOH 37  437 434 HOH HOH A . 
C 3 HOH 38  438 436 HOH HOH A . 
C 3 HOH 39  439 445 HOH HOH A . 
C 3 HOH 40  440 441 HOH HOH A . 
C 3 HOH 41  441 443 HOH HOH A . 
C 3 HOH 42  442 440 HOH HOH A . 
C 3 HOH 43  443 442 HOH HOH A . 
C 3 HOH 44  444 446 HOH HOH A . 
C 3 HOH 45  445 444 HOH HOH A . 
C 3 HOH 46  446 447 HOH HOH A . 
C 3 HOH 47  447 438 HOH HOH A . 
C 3 HOH 48  448 453 HOH HOH A . 
C 3 HOH 49  449 448 HOH HOH A . 
C 3 HOH 50  450 452 HOH HOH A . 
C 3 HOH 51  451 451 HOH HOH A . 
C 3 HOH 52  452 450 HOH HOH A . 
C 3 HOH 53  453 454 HOH HOH A . 
C 3 HOH 54  454 459 HOH HOH A . 
C 3 HOH 55  455 455 HOH HOH A . 
C 3 HOH 56  456 456 HOH HOH A . 
C 3 HOH 57  457 458 HOH HOH A . 
C 3 HOH 58  458 457 HOH HOH A . 
C 3 HOH 59  459 460 HOH HOH A . 
C 3 HOH 60  460 461 HOH HOH A . 
C 3 HOH 61  461 462 HOH HOH A . 
C 3 HOH 62  462 463 HOH HOH A . 
C 3 HOH 63  463 467 HOH HOH A . 
C 3 HOH 64  464 465 HOH HOH A . 
C 3 HOH 65  465 466 HOH HOH A . 
C 3 HOH 66  466 464 HOH HOH A . 
C 3 HOH 67  467 468 HOH HOH A . 
C 3 HOH 68  468 469 HOH HOH A . 
C 3 HOH 69  469 470 HOH HOH A . 
C 3 HOH 70  470 472 HOH HOH A . 
C 3 HOH 71  471 471 HOH HOH A . 
C 3 HOH 72  472 473 HOH HOH A . 
C 3 HOH 73  473 476 HOH HOH A . 
C 3 HOH 74  474 474 HOH HOH A . 
C 3 HOH 75  475 475 HOH HOH A . 
C 3 HOH 76  476 485 HOH HOH A . 
C 3 HOH 77  477 478 HOH HOH A . 
C 3 HOH 78  478 480 HOH HOH A . 
C 3 HOH 79  479 483 HOH HOH A . 
C 3 HOH 80  480 481 HOH HOH A . 
C 3 HOH 81  481 479 HOH HOH A . 
C 3 HOH 82  482 486 HOH HOH A . 
C 3 HOH 83  483 477 HOH HOH A . 
C 3 HOH 84  484 488 HOH HOH A . 
C 3 HOH 85  485 484 HOH HOH A . 
C 3 HOH 86  486 487 HOH HOH A . 
C 3 HOH 87  487 489 HOH HOH A . 
C 3 HOH 88  488 490 HOH HOH A . 
C 3 HOH 89  489 509 HOH HOH A . 
C 3 HOH 90  490 493 HOH HOH A . 
C 3 HOH 91  491 491 HOH HOH A . 
C 3 HOH 92  492 492 HOH HOH A . 
C 3 HOH 93  493 497 HOH HOH A . 
C 3 HOH 94  494 496 HOH HOH A . 
C 3 HOH 95  495 495 HOH HOH A . 
C 3 HOH 96  496 499 HOH HOH A . 
C 3 HOH 97  497 502 HOH HOH A . 
C 3 HOH 98  498 494 HOH HOH A . 
C 3 HOH 99  499 501 HOH HOH A . 
C 3 HOH 100 500 498 HOH HOH A . 
C 3 HOH 101 501 500 HOH HOH A . 
C 3 HOH 102 502 503 HOH HOH A . 
C 3 HOH 103 503 523 HOH HOH A . 
C 3 HOH 104 504 505 HOH HOH A . 
C 3 HOH 105 505 504 HOH HOH A . 
C 3 HOH 106 506 507 HOH HOH A . 
C 3 HOH 107 507 510 HOH HOH A . 
C 3 HOH 108 508 506 HOH HOH A . 
C 3 HOH 109 509 508 HOH HOH A . 
C 3 HOH 110 510 512 HOH HOH A . 
C 3 HOH 111 511 511 HOH HOH A . 
C 3 HOH 112 512 513 HOH HOH A . 
C 3 HOH 113 513 514 HOH HOH A . 
C 3 HOH 114 514 517 HOH HOH A . 
C 3 HOH 115 515 515 HOH HOH A . 
C 3 HOH 116 516 516 HOH HOH A . 
C 3 HOH 117 517 519 HOH HOH A . 
C 3 HOH 118 518 520 HOH HOH A . 
C 3 HOH 119 519 522 HOH HOH A . 
C 3 HOH 120 520 482 HOH HOH A . 
C 3 HOH 121 521 521 HOH HOH A . 
C 3 HOH 122 522 525 HOH HOH A . 
C 3 HOH 123 523 518 HOH HOH A . 
C 3 HOH 124 524 524 HOH HOH A . 
C 3 HOH 125 525 526 HOH HOH A . 
C 3 HOH 126 526 527 HOH HOH A . 
C 3 HOH 127 527 528 HOH HOH A . 
C 3 HOH 128 528 529 HOH HOH A . 
C 3 HOH 129 529 530 HOH HOH A . 
C 3 HOH 130 530 532 HOH HOH A . 
C 3 HOH 131 531 531 HOH HOH A . 
C 3 HOH 132 532 533 HOH HOH A . 
C 3 HOH 133 533 534 HOH HOH A . 
C 3 HOH 134 534 536 HOH HOH A . 
C 3 HOH 135 535 535 HOH HOH A . 
C 3 HOH 136 536 538 HOH HOH A . 
C 3 HOH 137 537 537 HOH HOH A . 
C 3 HOH 138 538 539 HOH HOH A . 
C 3 HOH 139 539 541 HOH HOH A . 
C 3 HOH 140 540 540 HOH HOH A . 
C 3 HOH 141 541 542 HOH HOH A . 
C 3 HOH 142 542 543 HOH HOH A . 
C 3 HOH 143 543 544 HOH HOH A . 
C 3 HOH 144 544 545 HOH HOH A . 
C 3 HOH 145 545 546 HOH HOH A . 
C 3 HOH 146 546 547 HOH HOH A . 
C 3 HOH 147 547 548 HOH HOH A . 
C 3 HOH 148 548 549 HOH HOH A . 
C 3 HOH 149 549 550 HOH HOH A . 
C 3 HOH 150 550 551 HOH HOH A . 
C 3 HOH 151 551 552 HOH HOH A . 
C 3 HOH 152 552 553 HOH HOH A . 
C 3 HOH 153 553 554 HOH HOH A . 
C 3 HOH 154 554 555 HOH HOH A . 
C 3 HOH 155 555 556 HOH HOH A . 
# 
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 0 A VAL 124 ? CA  B A VAL 124 CA  
2 1 Y 0 A VAL 124 ? CB  B A VAL 124 CB  
3 1 Y 0 A VAL 124 ? CG1 B A VAL 124 CG1 
4 1 Y 0 A VAL 124 ? CG2 B A VAL 124 CG2 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC   ? ? ? 5.8.0425 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? CrystFEL ? ? ? 10.2     2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? CrystFEL ? ? ? 10.2     3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER   ? ? ? .        4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9EQR 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     58.500 
_cell.length_a_esd                 ? 
_cell.length_b                     58.500 
_cell.length_b_esd                 ? 
_cell.length_c                     151.250 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        8 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         9EQR 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                92 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 41 21 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9EQR 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.91 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          57.75 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'BATCH MODE' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    
;100 mg of thaumatin (Sigma-T7638) was dissolved in 1 ml of MiniQ water, reaching a concentration of 100 mg/ml with solutions vortexed to ensure complete dissolution. Subsequently, 200 uL of the thaumatin solution was mixed with 200 ul of 1.6 M (Na, K, tartrate) crystallization solution
;
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     293 
_diffrn.ambient_temp_details             'room temperature' 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   Y 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'PSI JUNGFRAU 8M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-09-05 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.0306 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      'FREE ELECTRON LASER' 
_diffrn_source.target                      ? 
_diffrn_source.type                        'SwissFEL ARAMIS BEAMLINE ESC' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.0306 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ESC 
_diffrn_source.pdbx_synchrotron_site       'SwissFEL ARAMIS' 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9EQR 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.45 
_reflns.d_resolution_low                               32 
_reflns.details                                        ? 
_reflns.limit_h_max                                    ? 
_reflns.limit_h_min                                    ? 
_reflns.limit_k_max                                    ? 
_reflns.limit_k_min                                    ? 
_reflns.limit_l_max                                    ? 
_reflns.limit_l_min                                    ? 
_reflns.number_all                                     ? 
_reflns.number_obs                                     48619 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           100 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                129.8 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          3.54 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.914 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   0.235 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.45 
_reflns_shell.d_res_low                                     1.48 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             2383 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.385 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  1.274 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            0.334 
_refine.aniso_B[1][2]                            -0.000 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            0.334 
_refine.aniso_B[2][3]                            -0.000 
_refine.aniso_B[3][3]                            -0.667 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               20.545 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.959 
_refine.correlation_coeff_Fo_to_Fc_free          0.934 
_refine.details                                  'Hydrogens have been added in their riding positions' 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9EQR 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.45 
_refine.ls_d_res_low                             32.000 
_refine.ls_extinction_coef                       ? 
_refine.ls_extinction_coef_esd                   ? 
_refine.ls_extinction_expression                 ? 
_refine.ls_extinction_method                     ? 
_refine.ls_goodness_of_fit_all                   ? 
_refine.ls_goodness_of_fit_all_esd               ? 
_refine.ls_goodness_of_fit_obs                   ? 
_refine.ls_goodness_of_fit_obs_esd               ? 
_refine.ls_hydrogen_treatment                    ? 
_refine.ls_matrix_type                           ? 
_refine.ls_number_constraints                    ? 
_refine.ls_number_parameters                     ? 
_refine.ls_number_reflns_all                     ? 
_refine.ls_number_reflns_obs                     48509 
_refine.ls_number_reflns_R_free                  2414 
_refine.ls_number_reflns_R_work                  46095 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.957 
_refine.ls_percent_reflns_R_free                 4.976 
_refine.ls_R_factor_all                          0.189 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2087 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1877 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'MASK BULK SOLVENT' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.058 
_refine.pdbx_overall_ESU_R_Free                  0.060 
_refine.pdbx_solvent_vdw_probe_radii             1.200 
_refine.pdbx_solvent_ion_probe_radii             0.800 
_refine.pdbx_solvent_shrinkage_radii             0.800 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             1.387 
_refine.overall_SU_ML                            0.050 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.45 
_refine_hist.d_res_low                        32.000 
_refine_hist.number_atoms_solvent             155 
_refine_hist.number_atoms_total               1710 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        1545 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         10 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.010  0.012  1664 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1486 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.740  1.809  2279 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.625  1.758  3453 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 6.877  5.000  227  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 8.824  5.000  13   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 13.023 10.000 255  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 15.604 10.000 71   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.093  0.200  244  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.009  0.020  2040 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  406  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.217  0.200  265  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.200  0.200  1296 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.187  0.200  830  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.089  0.200  892  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.242  0.200  105  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.065  0.200  1    ? r_symmetry_xyhbond_nbd_other   ? ? 
'X-RAY DIFFRACTION' ? 0.124  0.200  8    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.188  0.200  44   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.113  0.200  5    ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 1.923  1.938  845  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.908  1.937  845  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.817  3.477  1060 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 2.827  3.479  1061 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 3.101  2.289  819  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 3.102  2.289  818  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 4.751  4.024  1208 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 4.752  4.023  1208 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 6.243  21.330 1836 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 6.027  20.032 1806 ? r_lrange_other                 ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.45  1.477  . . 169 3340 100.0000 . . . . 0.344 . . . . . . . . . . . 0.312 
'X-RAY DIFFRACTION' 1.477 1.518  . . 150 3287 100.0000 . . . . 0.320 . . . . . . . . . . . 0.329 
'X-RAY DIFFRACTION' 1.518 1.562  . . 165 3169 100.0000 . . . . 0.278 . . . . . . . . . . . 0.301 
'X-RAY DIFFRACTION' 1.562 1.610  . . 159 3082 100.0000 . . . . 0.260 . . . . . . . . . . . 0.280 
'X-RAY DIFFRACTION' 1.610 1.662  . . 158 2996 100.0000 . . . . 0.232 . . . . . . . . . . . 0.238 
'X-RAY DIFFRACTION' 1.662 1.720  . . 179 2886 100.0000 . . . . 0.197 . . . . . . . . . . . 0.225 
'X-RAY DIFFRACTION' 1.720 1.785  . . 145 2779 100.0000 . . . . 0.189 . . . . . . . . . . . 0.237 
'X-RAY DIFFRACTION' 1.785 1.858  . . 150 2677 100.0000 . . . . 0.181 . . . . . . . . . . . 0.209 
'X-RAY DIFFRACTION' 1.858 1.940  . . 132 2625 100.0000 . . . . 0.171 . . . . . . . . . . . 0.222 
'X-RAY DIFFRACTION' 1.940 2.034  . . 124 2491 100.0000 . . . . 0.161 . . . . . . . . . . . 0.177 
'X-RAY DIFFRACTION' 2.034 2.144  . . 134 2377 100.0000 . . . . 0.162 . . . . . . . . . . . 0.152 
'X-RAY DIFFRACTION' 2.144 2.273  . . 104 2275 100.0000 . . . . 0.163 . . . . . . . . . . . 0.177 
'X-RAY DIFFRACTION' 2.273 2.430  . . 101 2141 100.0000 . . . . 0.161 . . . . . . . . . . . 0.164 
'X-RAY DIFFRACTION' 2.430 2.623  . . 114 1970 100.0000 . . . . 0.173 . . . . . . . . . . . 0.197 
'X-RAY DIFFRACTION' 2.623 2.871  . . 100 1839 100.0000 . . . . 0.183 . . . . . . . . . . . 0.223 
'X-RAY DIFFRACTION' 2.871 3.207  . . 86  1695 100.0000 . . . . 0.175 . . . . . . . . . . . 0.227 
'X-RAY DIFFRACTION' 3.207 3.697  . . 88  1495 100.0000 . . . . 0.159 . . . . . . . . . . . 0.168 
'X-RAY DIFFRACTION' 3.697 4.513  . . 59  1310 100.0000 . . . . 0.156 . . . . . . . . . . . 0.137 
'X-RAY DIFFRACTION' 4.513 6.320  . . 54  1032 100.0000 . . . . 0.173 . . . . . . . . . . . 0.212 
'X-RAY DIFFRACTION' 6.320 32.000 . . 43  629  97.9592  . . . . 0.369 . . . . . . . . . . . 0.363 
# 
_struct.entry_id                     9EQR 
_struct.title                        '8fs pulse duration 50uJ pulse energy thaumatin' 
_struct.pdbx_model_details           ? 
_struct.pdbx_formula_weight          ? 
_struct.pdbx_formula_weight_method   ? 
_struct.pdbx_model_type_details      ? 
_struct.pdbx_CASP_flag               N 
# 
_struct_keywords.entry_id        9EQR 
_struct_keywords.text            'radiation damage, XFEL, pulse duration and intensity, disulphides, PLANT PROTEIN' 
_struct_keywords.pdbx_keywords   'PLANT PROTEIN' 
# 
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 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    THM1_THADA 
_struct_ref.pdbx_db_accession          P02883 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;ATFEIVNRCSYTVWAAASKGDAALDAGGRQLNSGESWTINVEPGTNGGKIWARTDCYFDDSGSGICKTGDCGGLLRCKRF
GRPPTTLAEFSLNQYGKDYIDISNIKGFNVPMDFSPTTRGCRGVRCAADIVGQCPAKLKAPGGGCNDACTVFQTSEYCCT
TGKCGPTEYSRFFKRLCPDAFSYVLDKPTTVTCPGSSNYRVTFCPTA
;
_struct_ref.pdbx_align_begin           23 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9EQR 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 207 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P02883 
_struct_ref_seq.db_align_beg                  23 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  229 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       1 
_struct_ref_seq.pdbx_auth_seq_align_end       207 
# 
_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 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_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 ASP A 129 ? CYS A 134 ? ASP A 129 CYS A 134 1 ? 6  
HELX_P HELX_P2 AA2 PRO A 135 ? LYS A 139 ? PRO A 135 LYS A 139 5 ? 5  
HELX_P HELX_P3 AA3 ASP A 147 ? GLN A 153 ? ASP A 147 GLN A 153 1 ? 7  
HELX_P HELX_P4 AA4 THR A 154 ? CYS A 159 ? THR A 154 CYS A 159 1 ? 6  
HELX_P HELX_P5 AA5 THR A 167 ? CYS A 177 ? THR A 167 CYS A 177 1 ? 11 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
disulf1 disulf ? ? A CYS 9   SG ? ? ? 1_555 A CYS 204 SG ? ? A CYS 9   A CYS 204 1_555 ? ? ? ? ? ? ? 1.983 ? ? 
disulf2 disulf ? ? A CYS 56  SG ? ? ? 1_555 A CYS 66  SG ? ? A CYS 56  A CYS 66  1_555 ? ? ? ? ? ? ? 2.009 ? ? 
disulf3 disulf ? ? A CYS 71  SG ? ? ? 1_555 A CYS 77  SG ? ? A CYS 71  A CYS 77  1_555 ? ? ? ? ? ? ? 2.025 ? ? 
disulf4 disulf ? ? A CYS 121 SG ? ? ? 1_555 A CYS 193 SG ? ? A CYS 121 A CYS 193 1_555 ? ? ? ? ? ? ? 2.055 ? ? 
disulf5 disulf ? ? A CYS 126 SG ? ? ? 1_555 A CYS 177 SG ? ? A CYS 126 A CYS 177 1_555 ? ? ? ? ? ? ? 1.994 ? ? 
disulf6 disulf ? ? A CYS 134 SG ? ? ? 1_555 A CYS 145 SG ? ? A CYS 134 A CYS 145 1_555 ? ? ? ? ? ? ? 2.032 ? ? 
disulf7 disulf ? ? A CYS 149 SG ? ? ? 1_555 A CYS 158 SG ? ? A CYS 149 A CYS 158 1_555 ? ? ? ? ? ? ? 2.016 ? ? 
disulf8 disulf ? ? A CYS 159 SG A ? ? 1_555 A CYS 164 SG ? ? A CYS 159 A CYS 164 1_555 ? ? ? ? ? ? ? 1.981 ? ? 
disulf9 disulf ? ? A CYS 159 SG B ? ? 1_555 A CYS 164 SG ? ? A CYS 159 A CYS 164 1_555 ? ? ? ? ? ? ? 1.939 ? ? 
# 
_struct_conn_type.id          disulf 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 CYS A 9   ? CYS A 204 ? CYS A 9   ? 1_555 CYS A 204 ? 1_555 SG SG . . . None 'Disulfide bridge' 
2 CYS A 56  ? CYS A 66  ? CYS A 56  ? 1_555 CYS A 66  ? 1_555 SG SG . . . None 'Disulfide bridge' 
3 CYS A 71  ? CYS A 77  ? CYS A 71  ? 1_555 CYS A 77  ? 1_555 SG SG . . . None 'Disulfide bridge' 
4 CYS A 121 ? CYS A 193 ? CYS A 121 ? 1_555 CYS A 193 ? 1_555 SG SG . . . None 'Disulfide bridge' 
5 CYS A 126 ? CYS A 177 ? CYS A 126 ? 1_555 CYS A 177 ? 1_555 SG SG . . . None 'Disulfide bridge' 
6 CYS A 134 ? CYS A 145 ? CYS A 134 ? 1_555 CYS A 145 ? 1_555 SG SG . . . None 'Disulfide bridge' 
7 CYS A 149 ? CYS A 158 ? CYS A 149 ? 1_555 CYS A 158 ? 1_555 SG SG . . . None 'Disulfide bridge' 
8 CYS A 159 A CYS A 164 ? CYS A 159 ? 1_555 CYS A 164 ? 1_555 SG SG . . . None 'Disulfide bridge' 
9 CYS A 159 B CYS A 164 ? CYS A 159 ? 1_555 CYS A 164 ? 1_555 SG SG . . . None 'Disulfide bridge' 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          PRO 
_struct_mon_prot_cis.label_seq_id           83 
_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           PRO 
_struct_mon_prot_cis.auth_seq_id            83 
_struct_mon_prot_cis.auth_asym_id           A 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    84 
_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     84 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    A 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       4.34 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 5 ? 
AA2 ? 6 ? 
AA3 ? 5 ? 
# 
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 ? parallel      
AA1 3 4 ? anti-parallel 
AA1 4 5 ? 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 ? parallel      
AA3 1 2 ? anti-parallel 
AA3 2 3 ? anti-parallel 
AA3 3 4 ? anti-parallel 
AA3 4 5 ? 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 SER A 36  ? ASN A 40  ? SER A 36  ASN A 40  
AA1 2 THR A 2   ? ASN A 7   ? THR A 2   ASN A 7   
AA1 3 TYR A 199 ? PHE A 203 ? TYR A 199 PHE A 203 
AA1 4 MET A 112 ? PRO A 116 ? MET A 112 PRO A 116 
AA1 5 VAL A 124 ? CYS A 126 ? VAL A 124 CYS A 126 
AA2 1 ALA A 23  ? LEU A 31  ? ALA A 23  LEU A 31  
AA2 2 VAL A 13  ? SER A 18  ? VAL A 13  SER A 18  
AA2 3 GLY A 48  ? PHE A 58  ? GLY A 48  PHE A 58  
AA2 4 LEU A 87  ? GLN A 94  ? LEU A 87  GLN A 94  
AA2 5 LYS A 97  ? SER A 103 ? LYS A 97  SER A 103 
AA2 6 ALA A 180 ? PHE A 181 ? ALA A 180 PHE A 181 
AA3 1 GLY A 64  ? THR A 68  ? GLY A 64  THR A 68  
AA3 2 GLY A 48  ? PHE A 58  ? GLY A 48  PHE A 58  
AA3 3 LEU A 87  ? GLN A 94  ? LEU A 87  GLN A 94  
AA3 4 LYS A 97  ? SER A 103 ? LYS A 97  SER A 103 
AA3 5 VAL A 191 ? PRO A 194 ? VAL A 191 PRO A 194 
# 
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 O TRP A 37  ? O TRP A 37  N ILE A 5   ? N ILE A 5   
AA1 2 3 N VAL A 6   ? N VAL A 6   O VAL A 201 ? O VAL A 201 
AA1 3 4 O ARG A 200 ? O ARG A 200 N SER A 115 ? N SER A 115 
AA1 4 5 N PHE A 114 ? N PHE A 114 O VAL A 124 ? O VAL A 124 
AA2 1 2 O LEU A 31  ? O LEU A 31  N VAL A 13  ? N VAL A 13  
AA2 2 3 N SER A 18  ? N SER A 18  O LYS A 49  ? O LYS A 49  
AA2 3 4 N GLY A 48  ? N GLY A 48  O PHE A 90  ? O PHE A 90  
AA2 4 5 N GLN A 94  ? N GLN A 94  O LYS A 97  ? O LYS A 97  
AA2 5 6 N ILE A 102 ? N ILE A 102 O PHE A 181 ? O PHE A 181 
AA3 1 2 O ILE A 65  ? O ILE A 65  N TYR A 57  ? N TYR A 57  
AA3 2 3 N GLY A 48  ? N GLY A 48  O PHE A 90  ? O PHE A 90  
AA3 3 4 N GLN A 94  ? N GLN A 94  O LYS A 97  ? O LYS A 97  
AA3 4 5 N ASP A 98  ? N ASP A 98  O CYS A 193 ? O CYS A 193 
# 
_pdbx_entry_details.entry_id                   9EQR 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     N 
_pdbx_entry_details.has_protein_modification   Y 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   OE2 
_pdbx_validate_close_contact.auth_asym_id_1   A 
_pdbx_validate_close_contact.auth_comp_id_1   GLU 
_pdbx_validate_close_contact.auth_seq_id_1    168 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   A 
_pdbx_validate_close_contact.auth_atom_id_2   O 
_pdbx_validate_close_contact.auth_asym_id_2   A 
_pdbx_validate_close_contact.auth_comp_id_2   HOH 
_pdbx_validate_close_contact.auth_seq_id_2    401 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             2.12 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    O 
_pdbx_validate_symm_contact.auth_asym_id_1    A 
_pdbx_validate_symm_contact.auth_comp_id_1    HOH 
_pdbx_validate_symm_contact.auth_seq_id_1     555 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    O 
_pdbx_validate_symm_contact.auth_asym_id_2    A 
_pdbx_validate_symm_contact.auth_comp_id_2    HOH 
_pdbx_validate_symm_contact.auth_seq_id_2     555 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   7_645 
_pdbx_validate_symm_contact.dist              2.06 
# 
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 ASP A 25 ? ? 59.27   -139.31 
2 1 CYS A 71 ? ? -113.76 68.83   
# 
_pdbx_validate_planes.id              1 
_pdbx_validate_planes.PDB_model_num   1 
_pdbx_validate_planes.auth_comp_id    ARG 
_pdbx_validate_planes.auth_asym_id    A 
_pdbx_validate_planes.auth_seq_id     76 
_pdbx_validate_planes.PDB_ins_code    ? 
_pdbx_validate_planes.label_alt_id    ? 
_pdbx_validate_planes.rmsd            0.076 
_pdbx_validate_planes.type            'SIDE CHAIN' 
# 
_pdbx_distant_solvent_atoms.id                                1 
_pdbx_distant_solvent_atoms.PDB_model_num                     1 
_pdbx_distant_solvent_atoms.auth_atom_id                      O 
_pdbx_distant_solvent_atoms.label_alt_id                      ? 
_pdbx_distant_solvent_atoms.auth_asym_id                      A 
_pdbx_distant_solvent_atoms.auth_comp_id                      HOH 
_pdbx_distant_solvent_atoms.auth_seq_id                       555 
_pdbx_distant_solvent_atoms.PDB_ins_code                      ? 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance   6.28 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance          . 
# 
_pdbx_unobs_or_zero_occ_residues.id               1 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num    1 
_pdbx_unobs_or_zero_occ_residues.polymer_flag     Y 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag   1 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id     A 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id     ALA 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id      207 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code     ? 
_pdbx_unobs_or_zero_occ_residues.label_asym_id    A 
_pdbx_unobs_or_zero_occ_residues.label_comp_id    ALA 
_pdbx_unobs_or_zero_occ_residues.label_seq_id     207 
# 
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  
GLN N    N N N 88  
GLN CA   C N S 89  
GLN C    C N N 90  
GLN O    O N N 91  
GLN CB   C N N 92  
GLN CG   C N N 93  
GLN CD   C N N 94  
GLN OE1  O N N 95  
GLN NE2  N N N 96  
GLN OXT  O N N 97  
GLN H    H N N 98  
GLN H2   H N N 99  
GLN HA   H N N 100 
GLN HB2  H N N 101 
GLN HB3  H N N 102 
GLN HG2  H N N 103 
GLN HG3  H N N 104 
GLN HE21 H N N 105 
GLN HE22 H N N 106 
GLN HXT  H N N 107 
GLU N    N N N 108 
GLU CA   C N S 109 
GLU C    C N N 110 
GLU O    O N N 111 
GLU CB   C N N 112 
GLU CG   C N N 113 
GLU CD   C N N 114 
GLU OE1  O N N 115 
GLU OE2  O N N 116 
GLU OXT  O N N 117 
GLU H    H N N 118 
GLU H2   H N N 119 
GLU HA   H N N 120 
GLU HB2  H N N 121 
GLU HB3  H N N 122 
GLU HG2  H N N 123 
GLU HG3  H N N 124 
GLU HE2  H N N 125 
GLU HXT  H N N 126 
GLY N    N N N 127 
GLY CA   C N N 128 
GLY C    C N N 129 
GLY O    O N N 130 
GLY OXT  O N N 131 
GLY H    H N N 132 
GLY H2   H N N 133 
GLY HA2  H N N 134 
GLY HA3  H N N 135 
GLY HXT  H N N 136 
HOH O    O N N 137 
HOH H1   H N N 138 
HOH H2   H N N 139 
ILE N    N N N 140 
ILE CA   C N S 141 
ILE C    C N N 142 
ILE O    O N N 143 
ILE CB   C N S 144 
ILE CG1  C N N 145 
ILE CG2  C N N 146 
ILE CD1  C N N 147 
ILE OXT  O N N 148 
ILE H    H N N 149 
ILE H2   H N N 150 
ILE HA   H N N 151 
ILE HB   H N N 152 
ILE HG12 H N N 153 
ILE HG13 H N N 154 
ILE HG21 H N N 155 
ILE HG22 H N N 156 
ILE HG23 H N N 157 
ILE HD11 H N N 158 
ILE HD12 H N N 159 
ILE HD13 H N N 160 
ILE HXT  H N N 161 
LEU N    N N N 162 
LEU CA   C N S 163 
LEU C    C N N 164 
LEU O    O N N 165 
LEU CB   C N N 166 
LEU CG   C N N 167 
LEU CD1  C N N 168 
LEU CD2  C N N 169 
LEU OXT  O N N 170 
LEU H    H N N 171 
LEU H2   H N N 172 
LEU HA   H N N 173 
LEU HB2  H N N 174 
LEU HB3  H N N 175 
LEU HG   H N N 176 
LEU HD11 H N N 177 
LEU HD12 H N N 178 
LEU HD13 H N N 179 
LEU HD21 H N N 180 
LEU HD22 H N N 181 
LEU HD23 H N N 182 
LEU HXT  H N N 183 
LYS N    N N N 184 
LYS CA   C N S 185 
LYS C    C N N 186 
LYS O    O N N 187 
LYS CB   C N N 188 
LYS CG   C N N 189 
LYS CD   C N N 190 
LYS CE   C N N 191 
LYS NZ   N N N 192 
LYS OXT  O N N 193 
LYS H    H N N 194 
LYS H2   H N N 195 
LYS HA   H N N 196 
LYS HB2  H N N 197 
LYS HB3  H N N 198 
LYS HG2  H N N 199 
LYS HG3  H N N 200 
LYS HD2  H N N 201 
LYS HD3  H N N 202 
LYS HE2  H N N 203 
LYS HE3  H N N 204 
LYS HZ1  H N N 205 
LYS HZ2  H N N 206 
LYS HZ3  H N N 207 
LYS HXT  H N N 208 
MET N    N N N 209 
MET CA   C N S 210 
MET C    C N N 211 
MET O    O N N 212 
MET CB   C N N 213 
MET CG   C N N 214 
MET SD   S N N 215 
MET CE   C N N 216 
MET OXT  O N N 217 
MET H    H N N 218 
MET H2   H N N 219 
MET HA   H N N 220 
MET HB2  H N N 221 
MET HB3  H N N 222 
MET HG2  H N N 223 
MET HG3  H N N 224 
MET HE1  H N N 225 
MET HE2  H N N 226 
MET HE3  H N N 227 
MET HXT  H N N 228 
PHE N    N N N 229 
PHE CA   C N S 230 
PHE C    C N N 231 
PHE O    O N N 232 
PHE CB   C N N 233 
PHE CG   C Y N 234 
PHE CD1  C Y N 235 
PHE CD2  C Y N 236 
PHE CE1  C Y N 237 
PHE CE2  C Y N 238 
PHE CZ   C Y N 239 
PHE OXT  O N N 240 
PHE H    H N N 241 
PHE H2   H N N 242 
PHE HA   H N N 243 
PHE HB2  H N N 244 
PHE HB3  H N N 245 
PHE HD1  H N N 246 
PHE HD2  H N N 247 
PHE HE1  H N N 248 
PHE HE2  H N N 249 
PHE HZ   H N N 250 
PHE HXT  H N N 251 
PRO N    N N N 252 
PRO CA   C N S 253 
PRO C    C N N 254 
PRO O    O N N 255 
PRO CB   C N N 256 
PRO CG   C N N 257 
PRO CD   C N N 258 
PRO OXT  O N N 259 
PRO H    H N N 260 
PRO HA   H N N 261 
PRO HB2  H N N 262 
PRO HB3  H N N 263 
PRO HG2  H N N 264 
PRO HG3  H N N 265 
PRO HD2  H N N 266 
PRO HD3  H N N 267 
PRO HXT  H N N 268 
SER N    N N N 269 
SER CA   C N S 270 
SER C    C N N 271 
SER O    O N N 272 
SER CB   C N N 273 
SER OG   O N N 274 
SER OXT  O N N 275 
SER H    H N N 276 
SER H2   H N N 277 
SER HA   H N N 278 
SER HB2  H N N 279 
SER HB3  H N N 280 
SER HG   H N N 281 
SER HXT  H N N 282 
THR N    N N N 283 
THR CA   C N S 284 
THR C    C N N 285 
THR O    O N N 286 
THR CB   C N R 287 
THR OG1  O N N 288 
THR CG2  C N N 289 
THR OXT  O N N 290 
THR H    H N N 291 
THR H2   H N N 292 
THR HA   H N N 293 
THR HB   H N N 294 
THR HG1  H N N 295 
THR HG21 H N N 296 
THR HG22 H N N 297 
THR HG23 H N N 298 
THR HXT  H N N 299 
TLA O1   O N N 300 
TLA O11  O N N 301 
TLA C1   C N N 302 
TLA C2   C N R 303 
TLA O2   O N N 304 
TLA C3   C N R 305 
TLA O3   O N N 306 
TLA C4   C N N 307 
TLA O4   O N N 308 
TLA O41  O N N 309 
TLA H11  H N N 310 
TLA H2   H N N 311 
TLA HA   H N N 312 
TLA H3   H N N 313 
TLA HB   H N N 314 
TLA H41  H N N 315 
TRP N    N N N 316 
TRP CA   C N S 317 
TRP C    C N N 318 
TRP O    O N N 319 
TRP CB   C N N 320 
TRP CG   C Y N 321 
TRP CD1  C Y N 322 
TRP CD2  C Y N 323 
TRP NE1  N Y N 324 
TRP CE2  C Y N 325 
TRP CE3  C Y N 326 
TRP CZ2  C Y N 327 
TRP CZ3  C Y N 328 
TRP CH2  C Y N 329 
TRP OXT  O N N 330 
TRP H    H N N 331 
TRP H2   H N N 332 
TRP HA   H N N 333 
TRP HB2  H N N 334 
TRP HB3  H N N 335 
TRP HD1  H N N 336 
TRP HE1  H N N 337 
TRP HE3  H N N 338 
TRP HZ2  H N N 339 
TRP HZ3  H N N 340 
TRP HH2  H N N 341 
TRP HXT  H N N 342 
TYR N    N N N 343 
TYR CA   C N S 344 
TYR C    C N N 345 
TYR O    O N N 346 
TYR CB   C N N 347 
TYR CG   C Y N 348 
TYR CD1  C Y N 349 
TYR CD2  C Y N 350 
TYR CE1  C Y N 351 
TYR CE2  C Y N 352 
TYR CZ   C Y N 353 
TYR OH   O N N 354 
TYR OXT  O N N 355 
TYR H    H N N 356 
TYR H2   H N N 357 
TYR HA   H N N 358 
TYR HB2  H N N 359 
TYR HB3  H N N 360 
TYR HD1  H N N 361 
TYR HD2  H N N 362 
TYR HE1  H N N 363 
TYR HE2  H N N 364 
TYR HH   H N N 365 
TYR HXT  H N N 366 
VAL N    N N N 367 
VAL CA   C N S 368 
VAL C    C N N 369 
VAL O    O N N 370 
VAL CB   C N N 371 
VAL CG1  C N N 372 
VAL CG2  C N N 373 
VAL OXT  O N N 374 
VAL H    H N N 375 
VAL H2   H N N 376 
VAL HA   H N N 377 
VAL HB   H N N 378 
VAL HG11 H N N 379 
VAL HG12 H N N 380 
VAL HG13 H N N 381 
VAL HG21 H N N 382 
VAL HG22 H N N 383 
VAL HG23 H N N 384 
VAL HXT  H N N 385 
# 
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  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
HOH O   H1   sing N N 129 
HOH O   H2   sing N N 130 
ILE N   CA   sing N N 131 
ILE N   H    sing N N 132 
ILE N   H2   sing N N 133 
ILE CA  C    sing N N 134 
ILE CA  CB   sing N N 135 
ILE CA  HA   sing N N 136 
ILE C   O    doub N N 137 
ILE C   OXT  sing N N 138 
ILE CB  CG1  sing N N 139 
ILE CB  CG2  sing N N 140 
ILE CB  HB   sing N N 141 
ILE CG1 CD1  sing N N 142 
ILE CG1 HG12 sing N N 143 
ILE CG1 HG13 sing N N 144 
ILE CG2 HG21 sing N N 145 
ILE CG2 HG22 sing N N 146 
ILE CG2 HG23 sing N N 147 
ILE CD1 HD11 sing N N 148 
ILE CD1 HD12 sing N N 149 
ILE CD1 HD13 sing N N 150 
ILE OXT HXT  sing N N 151 
LEU N   CA   sing N N 152 
LEU N   H    sing N N 153 
LEU N   H2   sing N N 154 
LEU CA  C    sing N N 155 
LEU CA  CB   sing N N 156 
LEU CA  HA   sing N N 157 
LEU C   O    doub N N 158 
LEU C   OXT  sing N N 159 
LEU CB  CG   sing N N 160 
LEU CB  HB2  sing N N 161 
LEU CB  HB3  sing N N 162 
LEU CG  CD1  sing N N 163 
LEU CG  CD2  sing N N 164 
LEU CG  HG   sing N N 165 
LEU CD1 HD11 sing N N 166 
LEU CD1 HD12 sing N N 167 
LEU CD1 HD13 sing N N 168 
LEU CD2 HD21 sing N N 169 
LEU CD2 HD22 sing N N 170 
LEU CD2 HD23 sing N N 171 
LEU OXT HXT  sing N N 172 
LYS N   CA   sing N N 173 
LYS N   H    sing N N 174 
LYS N   H2   sing N N 175 
LYS CA  C    sing N N 176 
LYS CA  CB   sing N N 177 
LYS CA  HA   sing N N 178 
LYS C   O    doub N N 179 
LYS C   OXT  sing N N 180 
LYS CB  CG   sing N N 181 
LYS CB  HB2  sing N N 182 
LYS CB  HB3  sing N N 183 
LYS CG  CD   sing N N 184 
LYS CG  HG2  sing N N 185 
LYS CG  HG3  sing N N 186 
LYS CD  CE   sing N N 187 
LYS CD  HD2  sing N N 188 
LYS CD  HD3  sing N N 189 
LYS CE  NZ   sing N N 190 
LYS CE  HE2  sing N N 191 
LYS CE  HE3  sing N N 192 
LYS NZ  HZ1  sing N N 193 
LYS NZ  HZ2  sing N N 194 
LYS NZ  HZ3  sing N N 195 
LYS OXT HXT  sing N N 196 
MET N   CA   sing N N 197 
MET N   H    sing N N 198 
MET N   H2   sing N N 199 
MET CA  C    sing N N 200 
MET CA  CB   sing N N 201 
MET CA  HA   sing N N 202 
MET C   O    doub N N 203 
MET C   OXT  sing N N 204 
MET CB  CG   sing N N 205 
MET CB  HB2  sing N N 206 
MET CB  HB3  sing N N 207 
MET CG  SD   sing N N 208 
MET CG  HG2  sing N N 209 
MET CG  HG3  sing N N 210 
MET SD  CE   sing N N 211 
MET CE  HE1  sing N N 212 
MET CE  HE2  sing N N 213 
MET CE  HE3  sing N N 214 
MET OXT HXT  sing N N 215 
PHE N   CA   sing N N 216 
PHE N   H    sing N N 217 
PHE N   H2   sing N N 218 
PHE CA  C    sing N N 219 
PHE CA  CB   sing N N 220 
PHE CA  HA   sing N N 221 
PHE C   O    doub N N 222 
PHE C   OXT  sing N N 223 
PHE CB  CG   sing N N 224 
PHE CB  HB2  sing N N 225 
PHE CB  HB3  sing N N 226 
PHE CG  CD1  doub Y N 227 
PHE CG  CD2  sing Y N 228 
PHE CD1 CE1  sing Y N 229 
PHE CD1 HD1  sing N N 230 
PHE CD2 CE2  doub Y N 231 
PHE CD2 HD2  sing N N 232 
PHE CE1 CZ   doub Y N 233 
PHE CE1 HE1  sing N N 234 
PHE CE2 CZ   sing Y N 235 
PHE CE2 HE2  sing N N 236 
PHE CZ  HZ   sing N N 237 
PHE OXT HXT  sing N N 238 
PRO N   CA   sing N N 239 
PRO N   CD   sing N N 240 
PRO N   H    sing N N 241 
PRO CA  C    sing N N 242 
PRO CA  CB   sing N N 243 
PRO CA  HA   sing N N 244 
PRO C   O    doub N N 245 
PRO C   OXT  sing N N 246 
PRO CB  CG   sing N N 247 
PRO CB  HB2  sing N N 248 
PRO CB  HB3  sing N N 249 
PRO CG  CD   sing N N 250 
PRO CG  HG2  sing N N 251 
PRO CG  HG3  sing N N 252 
PRO CD  HD2  sing N N 253 
PRO CD  HD3  sing N N 254 
PRO OXT HXT  sing N N 255 
SER N   CA   sing N N 256 
SER N   H    sing N N 257 
SER N   H2   sing N N 258 
SER CA  C    sing N N 259 
SER CA  CB   sing N N 260 
SER CA  HA   sing N N 261 
SER C   O    doub N N 262 
SER C   OXT  sing N N 263 
SER CB  OG   sing N N 264 
SER CB  HB2  sing N N 265 
SER CB  HB3  sing N N 266 
SER OG  HG   sing N N 267 
SER OXT HXT  sing N N 268 
THR N   CA   sing N N 269 
THR N   H    sing N N 270 
THR N   H2   sing N N 271 
THR CA  C    sing N N 272 
THR CA  CB   sing N N 273 
THR CA  HA   sing N N 274 
THR C   O    doub N N 275 
THR C   OXT  sing N N 276 
THR CB  OG1  sing N N 277 
THR CB  CG2  sing N N 278 
THR CB  HB   sing N N 279 
THR OG1 HG1  sing N N 280 
THR CG2 HG21 sing N N 281 
THR CG2 HG22 sing N N 282 
THR CG2 HG23 sing N N 283 
THR OXT HXT  sing N N 284 
TLA O1  C1   doub N N 285 
TLA O11 C1   sing N N 286 
TLA O11 H11  sing N N 287 
TLA C1  C2   sing N N 288 
TLA C2  O2   sing N N 289 
TLA C2  C3   sing N N 290 
TLA C2  H2   sing N N 291 
TLA O2  HA   sing N N 292 
TLA C3  O3   sing N N 293 
TLA C3  C4   sing N N 294 
TLA C3  H3   sing N N 295 
TLA O3  HB   sing N N 296 
TLA C4  O4   doub N N 297 
TLA C4  O41  sing N N 298 
TLA O41 H41  sing N N 299 
TRP N   CA   sing N N 300 
TRP N   H    sing N N 301 
TRP N   H2   sing N N 302 
TRP CA  C    sing N N 303 
TRP CA  CB   sing N N 304 
TRP CA  HA   sing N N 305 
TRP C   O    doub N N 306 
TRP C   OXT  sing N N 307 
TRP CB  CG   sing N N 308 
TRP CB  HB2  sing N N 309 
TRP CB  HB3  sing N N 310 
TRP CG  CD1  doub Y N 311 
TRP CG  CD2  sing Y N 312 
TRP CD1 NE1  sing Y N 313 
TRP CD1 HD1  sing N N 314 
TRP CD2 CE2  doub Y N 315 
TRP CD2 CE3  sing Y N 316 
TRP NE1 CE2  sing Y N 317 
TRP NE1 HE1  sing N N 318 
TRP CE2 CZ2  sing Y N 319 
TRP CE3 CZ3  doub Y N 320 
TRP CE3 HE3  sing N N 321 
TRP CZ2 CH2  doub Y N 322 
TRP CZ2 HZ2  sing N N 323 
TRP CZ3 CH2  sing Y N 324 
TRP CZ3 HZ3  sing N N 325 
TRP CH2 HH2  sing N N 326 
TRP OXT HXT  sing N N 327 
TYR N   CA   sing N N 328 
TYR N   H    sing N N 329 
TYR N   H2   sing N N 330 
TYR CA  C    sing N N 331 
TYR CA  CB   sing N N 332 
TYR CA  HA   sing N N 333 
TYR C   O    doub N N 334 
TYR C   OXT  sing N N 335 
TYR CB  CG   sing N N 336 
TYR CB  HB2  sing N N 337 
TYR CB  HB3  sing N N 338 
TYR CG  CD1  doub Y N 339 
TYR CG  CD2  sing Y N 340 
TYR CD1 CE1  sing Y N 341 
TYR CD1 HD1  sing N N 342 
TYR CD2 CE2  doub Y N 343 
TYR CD2 HD2  sing N N 344 
TYR CE1 CZ   doub Y N 345 
TYR CE1 HE1  sing N N 346 
TYR CE2 CZ   sing Y N 347 
TYR CE2 HE2  sing N N 348 
TYR CZ  OH   sing N N 349 
TYR OH  HH   sing N N 350 
TYR OXT HXT  sing N N 351 
VAL N   CA   sing N N 352 
VAL N   H    sing N N 353 
VAL N   H2   sing N N 354 
VAL CA  C    sing N N 355 
VAL CA  CB   sing N N 356 
VAL CA  HA   sing N N 357 
VAL C   O    doub N N 358 
VAL C   OXT  sing N N 359 
VAL CB  CG1  sing N N 360 
VAL CB  CG2  sing N N 361 
VAL CB  HB   sing N N 362 
VAL CG1 HG11 sing N N 363 
VAL CG1 HG12 sing N N 364 
VAL CG1 HG13 sing N N 365 
VAL CG2 HG21 sing N N 366 
VAL CG2 HG22 sing N N 367 
VAL CG2 HG23 sing N N 368 
VAL OXT HXT  sing N N 369 
# 
_pdbx_audit_support.funding_organization   'Not funded' 
_pdbx_audit_support.country                ? 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_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   4AXR 
_pdbx_initial_refinement_model.details          ? 
# 
_pdbx_serial_crystallography_data_reduction.diffrn_id             1 
_pdbx_serial_crystallography_data_reduction.frames_total          ? 
_pdbx_serial_crystallography_data_reduction.xfel_pulse_events     ? 
_pdbx_serial_crystallography_data_reduction.frame_hits            ? 
_pdbx_serial_crystallography_data_reduction.crystal_hits          ? 
_pdbx_serial_crystallography_data_reduction.droplet_hits          ? 
_pdbx_serial_crystallography_data_reduction.frames_failed_index   ? 
_pdbx_serial_crystallography_data_reduction.frames_indexed        12599 
_pdbx_serial_crystallography_data_reduction.lattices_indexed      ? 
_pdbx_serial_crystallography_data_reduction.xfel_run_numbers      ? 
_pdbx_serial_crystallography_data_reduction.lattices_merged       ? 
# 
_pdbx_serial_crystallography_measurement.diffrn_id                    1 
_pdbx_serial_crystallography_measurement.pulse_energy                 50 
_pdbx_serial_crystallography_measurement.pulse_duration               7.9 
_pdbx_serial_crystallography_measurement.xfel_pulse_repetition_rate   100 
_pdbx_serial_crystallography_measurement.pulse_photon_energy          12.03 
_pdbx_serial_crystallography_measurement.photons_per_pulse            ? 
_pdbx_serial_crystallography_measurement.source_size                  ? 
_pdbx_serial_crystallography_measurement.source_distance              ? 
_pdbx_serial_crystallography_measurement.focal_spot_size              7.98 
_pdbx_serial_crystallography_measurement.collimation                  ? 
_pdbx_serial_crystallography_measurement.collection_time_total        ? 
# 
_pdbx_serial_crystallography_sample_delivery.diffrn_id     1 
_pdbx_serial_crystallography_sample_delivery.description   'polymer fixed target' 
_pdbx_serial_crystallography_sample_delivery.method        'fixed target' 
# 
_pdbx_serial_crystallography_sample_delivery_fixed_target.diffrn_id                       1 
_pdbx_serial_crystallography_sample_delivery_fixed_target.description                     ? 
_pdbx_serial_crystallography_sample_delivery_fixed_target.sample_holding                  'polymer fixed target' 
_pdbx_serial_crystallography_sample_delivery_fixed_target.support_base                    ? 
_pdbx_serial_crystallography_sample_delivery_fixed_target.sample_unit_size                ? 
_pdbx_serial_crystallography_sample_delivery_fixed_target.crystals_per_unit               ? 
_pdbx_serial_crystallography_sample_delivery_fixed_target.sample_solvent                  ? 
_pdbx_serial_crystallography_sample_delivery_fixed_target.sample_dehydration_prevention   'thin film' 
_pdbx_serial_crystallography_sample_delivery_fixed_target.motion_control                  ? 
_pdbx_serial_crystallography_sample_delivery_fixed_target.velocity_horizontal             ? 
_pdbx_serial_crystallography_sample_delivery_fixed_target.velocity_vertical               ? 
_pdbx_serial_crystallography_sample_delivery_fixed_target.details                         ? 
# 
_atom_sites.entry_id                    9EQR 
_atom_sites.Cartn_transf_matrix[1][1]   ? 
_atom_sites.Cartn_transf_matrix[1][2]   ? 
_atom_sites.Cartn_transf_matrix[1][3]   ? 
_atom_sites.Cartn_transf_matrix[2][1]   ? 
_atom_sites.Cartn_transf_matrix[2][2]   ? 
_atom_sites.Cartn_transf_matrix[2][3]   ? 
_atom_sites.Cartn_transf_matrix[3][1]   ? 
_atom_sites.Cartn_transf_matrix[3][2]   ? 
_atom_sites.Cartn_transf_matrix[3][3]   ? 
_atom_sites.Cartn_transf_vector[1]      ? 
_atom_sites.Cartn_transf_vector[2]      ? 
_atom_sites.Cartn_transf_vector[3]      ? 
_atom_sites.Cartn_transform_axes        ? 
_atom_sites.fract_transf_matrix[1][1]   0.017094 
_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]   0.017094 
_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]   0.006612 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.pdbx_scat_Z 
_atom_type.pdbx_N_electrons 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
C 6  6  2.3103  20.8439 1.0201 10.2075 1.5888 0.5687  0.8651 51.6512 0.2156   
H 1  1  0.4930  10.5109 0.3229 26.1257 0.1402 3.1424  0.0408 57.7997 0.0030   
N 7  7  12.2220 0.0057  3.1346 9.8933  2.0141 28.9975 1.1672 0.5826  -11.5379 
O 8  8  3.0487  13.2771 2.2870 5.7011  1.5464 0.3239  0.8671 32.9089 0.2508   
S 16 16 6.9054  1.4679  5.2035 22.2151 1.4379 0.2536  1.5863 56.1720 0.8669   
# 
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_site.calc_flag 
ATOM   1    N N   . ALA A 1 1   ? 21.861  -10.923 -9.874  1.000 28.600 0 1   ALA A N   1 ? 
ATOM   2    C CA  . ALA A 1 1   ? 21.492  -12.349 -10.045 1.000 27.272 0 1   ALA A CA  1 ? 
ATOM   3    C C   . ALA A 1 1   ? 20.443  -12.413 -11.149 1.000 23.774 0 1   ALA A C   1 ? 
ATOM   4    O O   . ALA A 1 1   ? 19.713  -11.452 -11.373 1.000 23.953 0 1   ALA A O   1 ? 
ATOM   5    C CB  . ALA A 1 1   ? 20.938  -12.897 -8.765  1.000 30.136 0 1   ALA A CB  1 ? 
ATOM   6    N N   . THR A 1 2   ? 20.462  -13.529 -11.860 1.000 20.175 0 2   THR A N   1 ? 
ATOM   7    C CA  A THR A 1 2   ? 19.553  -13.712 -12.974 0.340 19.587 0 2   THR A CA  1 ? 
ATOM   8    C CA  B THR A 1 2   ? 19.583  -13.751 -12.988 0.660 20.628 0 2   THR A CA  1 ? 
ATOM   9    C C   . THR A 1 2   ? 18.486  -14.717 -12.545 1.000 18.355 0 2   THR A C   1 ? 
ATOM   10   O O   . THR A 1 2   ? 18.797  -15.731 -11.964 1.000 20.348 0 2   THR A O   1 ? 
ATOM   11   C CB  A THR A 1 2   ? 20.310  -14.168 -14.222 0.340 21.018 0 2   THR A CB  1 ? 
ATOM   12   C CB  B THR A 1 2   ? 20.378  -14.347 -14.151 0.660 24.990 0 2   THR A CB  1 ? 
ATOM   13   O OG1 A THR A 1 2   ? 20.571  -15.554 -14.072 0.340 20.747 0 2   THR A OG1 1 ? 
ATOM   14   O OG1 B THR A 1 2   ? 21.238  -13.305 -14.605 0.660 29.278 0 2   THR A OG1 1 ? 
ATOM   15   C CG2 A THR A 1 2   ? 21.655  -13.482 -14.377 0.340 20.690 0 2   THR A CG2 1 ? 
ATOM   16   C CG2 B THR A 1 2   ? 19.485  -14.763 -15.301 0.660 26.044 0 2   THR A CG2 1 ? 
ATOM   17   N N   . PHE A 1 3   ? 17.241  -14.387 -12.876 1.000 18.491 0 3   PHE A N   1 ? 
ATOM   18   C CA  . PHE A 1 3   ? 16.108  -15.279 -12.689 1.000 17.417 0 3   PHE A CA  1 ? 
ATOM   19   C C   . PHE A 1 3   ? 15.472  -15.486 -14.056 1.000 16.786 0 3   PHE A C   1 ? 
ATOM   20   O O   . PHE A 1 3   ? 15.142  -14.497 -14.710 1.000 20.585 0 3   PHE A O   1 ? 
ATOM   21   C CB  . PHE A 1 3   ? 15.035  -14.684 -11.793 1.000 17.672 0 3   PHE A CB  1 ? 
ATOM   22   C CG  . PHE A 1 3   ? 15.374  -14.652 -10.319 1.000 20.986 0 3   PHE A CG  1 ? 
ATOM   23   C CD1 . PHE A 1 3   ? 16.365  -13.810 -9.842  1.000 22.757 0 3   PHE A CD1 1 ? 
ATOM   24   C CD2 . PHE A 1 3   ? 14.689  -15.443 -9.426  1.000 22.590 0 3   PHE A CD2 1 ? 
ATOM   25   C CE1 . PHE A 1 3   ? 16.687  -13.783 -8.498  1.000 23.928 0 3   PHE A CE1 1 ? 
ATOM   26   C CE2 . PHE A 1 3   ? 15.031  -15.438 -8.088  1.000 21.743 0 3   PHE A CE2 1 ? 
ATOM   27   C CZ  . PHE A 1 3   ? 15.996  -14.575 -7.626  1.000 22.381 0 3   PHE A CZ  1 ? 
ATOM   28   N N   . GLU A 1 4   ? 15.317  -16.733 -14.450 1.000 15.495 0 4   GLU A N   1 ? 
ATOM   29   C CA  . GLU A 1 4   ? 14.528  -17.022 -15.638 1.000 15.766 0 4   GLU A CA  1 ? 
ATOM   30   C C   . GLU A 1 4   ? 13.158  -17.481 -15.162 1.000 15.730 0 4   GLU A C   1 ? 
ATOM   31   O O   . GLU A 1 4   ? 13.083  -18.446 -14.390 1.000 17.429 0 4   GLU A O   1 ? 
ATOM   32   C CB  . GLU A 1 4   ? 15.177  -18.114 -16.480 1.000 18.011 0 4   GLU A CB  1 ? 
ATOM   33   C CG  . GLU A 1 4   ? 14.498  -18.264 -17.830 1.000 19.478 0 4   GLU A CG  1 ? 
ATOM   34   C CD  . GLU A 1 4   ? 15.044  -19.361 -18.752 1.000 22.927 0 4   GLU A CD  1 ? 
ATOM   35   O OE1 . GLU A 1 4   ? 15.189  -20.477 -18.350 1.000 23.645 0 4   GLU A OE1 1 ? 
ATOM   36   O OE2 . GLU A 1 4   ? 15.336  -18.998 -19.909 1.000 25.453 0 4   GLU A OE2 1 ? 
ATOM   37   N N   . ILE A 1 5   ? 12.138  -16.817 -15.671 1.000 14.299 0 5   ILE A N   1 ? 
ATOM   38   C CA  . ILE A 1 5   ? 10.780  -17.122 -15.263 1.000 14.998 0 5   ILE A CA  1 ? 
ATOM   39   C C   . ILE A 1 5   ? 10.118  -17.757 -16.478 1.000 15.016 0 5   ILE A C   1 ? 
ATOM   40   O O   . ILE A 1 5   ? 10.018  -17.124 -17.532 1.000 15.918 0 5   ILE A O   1 ? 
ATOM   41   C CB  . ILE A 1 5   ? 10.054  -15.860 -14.812 1.000 16.494 0 5   ILE A CB  1 ? 
ATOM   42   C CG1 . ILE A 1 5   ? 10.779  -15.161 -13.620 1.000 17.612 0 5   ILE A CG1 1 ? 
ATOM   43   C CG2 . ILE A 1 5   ? 8.608   -16.210 -14.455 1.000 16.942 0 5   ILE A CG2 1 ? 
ATOM   44   C CD1 . ILE A 1 5   ? 10.310  -13.730 -13.391 1.000 22.834 0 5   ILE A CD1 1 ? 
ATOM   45   N N   . VAL A 1 6   ? 9.658   -18.996 -16.300 1.000 14.453 0 6   VAL A N   1 ? 
ATOM   46   C CA  . VAL A 1 6   ? 9.173   -19.799 -17.415 1.000 14.498 0 6   VAL A CA  1 ? 
ATOM   47   C C   . VAL A 1 6   ? 7.715   -20.152 -17.184 1.000 13.518 0 6   VAL A C   1 ? 
ATOM   48   O O   . VAL A 1 6   ? 7.381   -20.658 -16.118 1.000 14.882 0 6   VAL A O   1 ? 
ATOM   49   C CB  . VAL A 1 6   ? 9.969   -21.085 -17.577 1.000 16.194 0 6   VAL A CB  1 ? 
ATOM   50   C CG1 . VAL A 1 6   ? 9.433   -21.916 -18.760 1.000 16.886 0 6   VAL A CG1 1 ? 
ATOM   51   C CG2 . VAL A 1 6   ? 11.439  -20.775 -17.765 1.000 17.650 0 6   VAL A CG2 1 ? 
ATOM   52   N N   . ASN A 1 7   ? 6.861   -19.891 -18.159 1.000 13.227 0 7   ASN A N   1 ? 
ATOM   53   C CA  . ASN A 1 7   ? 5.465   -20.307 -18.039 1.000 13.119 0 7   ASN A CA  1 ? 
ATOM   54   C C   . ASN A 1 7   ? 5.242   -21.643 -18.779 1.000 13.844 0 7   ASN A C   1 ? 
ATOM   55   O O   . ASN A 1 7   ? 5.161   -21.637 -20.017 1.000 15.668 0 7   ASN A O   1 ? 
ATOM   56   C CB  . ASN A 1 7   ? 4.491   -19.279 -18.567 1.000 12.944 0 7   ASN A CB  1 ? 
ATOM   57   C CG  . ASN A 1 7   ? 3.062   -19.723 -18.402 1.000 14.403 0 7   ASN A CG  1 ? 
ATOM   58   O OD1 . ASN A 1 7   ? 2.765   -20.591 -17.586 1.000 14.020 0 7   ASN A OD1 1 ? 
ATOM   59   N ND2 . ASN A 1 7   ? 2.197   -19.121 -19.185 1.000 14.989 0 7   ASN A ND2 1 ? 
ATOM   60   N N   . ARG A 1 8   ? 5.209   -22.755 -18.063 1.000 13.670 0 8   ARG A N   1 ? 
ATOM   61   C CA  . ARG A 1 8   ? 4.867   -24.056 -18.636 1.000 12.936 0 8   ARG A CA  1 ? 
ATOM   62   C C   . ARG A 1 8   ? 3.367   -24.347 -18.601 1.000 14.427 0 8   ARG A C   1 ? 
ATOM   63   O O   . ARG A 1 8   ? 2.906   -25.391 -19.079 1.000 15.422 0 8   ARG A O   1 ? 
ATOM   64   C CB  . ARG A 1 8   ? 5.760   -25.120 -17.990 1.000 14.431 0 8   ARG A CB  1 ? 
ATOM   65   C CG  . ARG A 1 8   ? 5.738   -26.459 -18.708 1.000 14.627 0 8   ARG A CG  1 ? 
ATOM   66   C CD  . ARG A 1 8   ? 6.649   -27.517 -18.109 1.000 16.426 0 8   ARG A CD  1 ? 
ATOM   67   N NE  . ARG A 1 8   ? 8.015   -27.072 -18.323 1.000 16.586 0 8   ARG A NE  1 ? 
ATOM   68   C CZ  . ARG A 1 8   ? 9.051   -27.385 -17.580 1.000 20.229 0 8   ARG A CZ  1 ? 
ATOM   69   N NH1 . ARG A 1 8   ? 8.894   -28.081 -16.438 1.000 20.610 0 8   ARG A NH1 1 ? 
ATOM   70   N NH2 . ARG A 1 8   ? 10.236  -26.885 -17.841 1.000 19.594 0 8   ARG A NH2 1 ? 
ATOM   71   N N   . CYS A 1 9   ? 2.583   -23.435 -18.041 1.000 13.892 0 9   CYS A N   1 ? 
ATOM   72   C CA  . CYS A 1 9   ? 1.145   -23.648 -18.007 1.000 14.245 0 9   CYS A CA  1 ? 
ATOM   73   C C   . CYS A 1 9   ? 0.583   -23.565 -19.431 1.000 14.540 0 9   CYS A C   1 ? 
ATOM   74   O O   . CYS A 1 9   ? 1.151   -22.897 -20.289 1.000 15.163 0 9   CYS A O   1 ? 
ATOM   75   C CB  . CYS A 1 9   ? 0.430   -22.611 -17.144 1.000 14.423 0 9   CYS A CB  1 ? 
ATOM   76   S SG  . CYS A 1 9   ? 1.109   -22.422 -15.467 1.000 15.100 0 9   CYS A SG  1 ? 
ATOM   77   N N   . SER A 1 10  ? -0.584  -24.175 -19.626 1.000 16.128 0 10  SER A N   1 ? 
ATOM   78   C CA  A SER A 1 10  ? -1.296  -24.118 -20.892 0.770 18.959 0 10  SER A CA  1 ? 
ATOM   79   C CA  B SER A 1 10  ? -1.284  -24.121 -20.900 0.230 17.980 0 10  SER A CA  1 ? 
ATOM   80   C C   . SER A 1 10  ? -2.014  -22.789 -21.099 1.000 20.346 0 10  SER A C   1 ? 
ATOM   81   O O   . SER A 1 10  ? -2.496  -22.513 -22.189 1.000 23.433 0 10  SER A O   1 ? 
ATOM   82   C CB  A SER A 1 10  ? -2.295  -25.254 -21.001 0.770 21.028 0 10  SER A CB  1 ? 
ATOM   83   C CB  B SER A 1 10  ? -2.223  -25.306 -21.055 0.230 18.293 0 10  SER A CB  1 ? 
ATOM   84   O OG  A SER A 1 10  ? -3.329  -25.074 -20.053 0.770 24.825 0 10  SER A OG  1 ? 
ATOM   85   O OG  B SER A 1 10  ? -2.909  -25.619 -19.848 0.230 18.337 0 10  SER A OG  1 ? 
ATOM   86   N N   . TYR A 1 11  ? -2.079  -21.945 -20.072 1.000 17.565 0 11  TYR A N   1 ? 
ATOM   87   C CA  . TYR A 1 11  ? -2.739  -20.670 -20.113 1.000 17.421 0 11  TYR A CA  1 ? 
ATOM   88   C C   . TYR A 1 11  ? -1.699  -19.568 -19.903 1.000 15.310 0 11  TYR A C   1 ? 
ATOM   89   O O   . TYR A 1 11  ? -0.638  -19.809 -19.331 1.000 17.037 0 11  TYR A O   1 ? 
ATOM   90   C CB  . TYR A 1 11  ? -3.822  -20.622 -19.026 1.000 19.285 0 11  TYR A CB  1 ? 
ATOM   91   C CG  . TYR A 1 11  ? -3.412  -21.102 -17.659 1.000 19.543 0 11  TYR A CG  1 ? 
ATOM   92   C CD1 . TYR A 1 11  ? -2.854  -20.231 -16.726 1.000 20.869 0 11  TYR A CD1 1 ? 
ATOM   93   C CD2 . TYR A 1 11  ? -3.645  -22.405 -17.261 1.000 20.534 0 11  TYR A CD2 1 ? 
ATOM   94   C CE1 . TYR A 1 11  ? -2.496  -20.671 -15.469 1.000 20.572 0 11  TYR A CE1 1 ? 
ATOM   95   C CE2 . TYR A 1 11  ? -3.319  -22.842 -15.993 1.000 19.835 0 11  TYR A CE2 1 ? 
ATOM   96   C CZ  . TYR A 1 11  ? -2.730  -21.973 -15.085 1.000 20.396 0 11  TYR A CZ  1 ? 
ATOM   97   O OH  . TYR A 1 11  ? -2.331  -22.463 -13.848 1.000 21.340 0 11  TYR A OH  1 ? 
ATOM   98   N N   . THR A 1 12  ? -2.046  -18.386 -20.350 1.000 15.902 0 12  THR A N   1 ? 
ATOM   99   C CA  . THR A 1 12  ? -1.269  -17.179 -20.171 1.000 14.803 0 12  THR A CA  1 ? 
ATOM   100  C C   . THR A 1 12  ? -1.247  -16.796 -18.700 1.000 16.854 0 12  THR A C   1 ? 
ATOM   101  O O   . THR A 1 12  ? -2.246  -16.878 -18.017 1.000 17.658 0 12  THR A O   1 ? 
ATOM   102  C CB  . THR A 1 12  ? -1.833  -16.038 -20.996 1.000 18.600 0 12  THR A CB  1 ? 
ATOM   103  O OG1 . THR A 1 12  ? -1.754  -16.476 -22.352 1.000 20.616 0 12  THR A OG1 1 ? 
ATOM   104  C CG2 . THR A 1 12  ? -1.017  -14.777 -20.851 1.000 17.387 0 12  THR A CG2 1 ? 
ATOM   105  N N   . VAL A 1 13  ? -0.084  -16.398 -18.235 1.000 15.355 0 13  VAL A N   1 ? 
ATOM   106  C CA  . VAL A 1 13  ? 0.060   -15.791 -16.921 1.000 14.623 0 13  VAL A CA  1 ? 
ATOM   107  C C   . VAL A 1 13  ? 0.805   -14.496 -17.075 1.000 14.896 0 13  VAL A C   1 ? 
ATOM   108  O O   . VAL A 1 13  ? 1.459   -14.233 -18.076 1.000 17.260 0 13  VAL A O   1 ? 
ATOM   109  C CB  . VAL A 1 13  ? 0.786   -16.635 -15.888 1.000 16.570 0 13  VAL A CB  1 ? 
ATOM   110  C CG1 . VAL A 1 13  ? 0.135   -17.979 -15.727 1.000 17.640 0 13  VAL A CG1 1 ? 
ATOM   111  C CG2 . VAL A 1 13  ? 2.250   -16.767 -16.186 1.000 19.125 0 13  VAL A CG2 1 ? 
ATOM   112  N N   . TRP A 1 14  ? 0.616   -13.622 -16.111 1.000 13.211 0 14  TRP A N   1 ? 
ATOM   113  C CA  . TRP A 1 14  ? 1.308   -12.365 -16.065 1.000 14.076 0 14  TRP A CA  1 ? 
ATOM   114  C C   . TRP A 1 14  ? 2.210   -12.405 -14.865 1.000 14.943 0 14  TRP A C   1 ? 
ATOM   115  O O   . TRP A 1 14  ? 1.774   -12.312 -13.707 1.000 14.595 0 14  TRP A O   1 ? 
ATOM   116  C CB  . TRP A 1 14  ? 0.348   -11.186 -16.006 1.000 15.917 0 14  TRP A CB  1 ? 
ATOM   117  C CG  . TRP A 1 14  ? -0.402  -10.951 -17.273 1.000 14.755 0 14  TRP A CG  1 ? 
ATOM   118  C CD1 . TRP A 1 14  ? -0.088  -9.988  -18.193 1.000 18.834 0 14  TRP A CD1 1 ? 
ATOM   119  C CD2 . TRP A 1 14  ? -1.502  -11.681 -17.821 1.000 15.272 0 14  TRP A CD2 1 ? 
ATOM   120  N NE1 . TRP A 1 14  ? -0.971  -10.029 -19.248 1.000 17.787 0 14  TRP A NE1 1 ? 
ATOM   121  C CE2 . TRP A 1 14  ? -1.847  -11.052 -19.057 1.000 16.328 0 14  TRP A CE2 1 ? 
ATOM   122  C CE3 . TRP A 1 14  ? -2.249  -12.756 -17.386 1.000 15.853 0 14  TRP A CE3 1 ? 
ATOM   123  C CZ2 . TRP A 1 14  ? -2.911  -11.506 -19.833 1.000 18.107 0 14  TRP A CZ2 1 ? 
ATOM   124  C CZ3 . TRP A 1 14  ? -3.277  -13.220 -18.174 1.000 17.108 0 14  TRP A CZ3 1 ? 
ATOM   125  C CH2 . TRP A 1 14  ? -3.577  -12.604 -19.390 1.000 17.523 0 14  TRP A CH2 1 ? 
ATOM   126  N N   . ALA A 1 15  ? 3.485   -12.643 -15.138 1.000 13.096 0 15  ALA A N   1 ? 
ATOM   127  C CA  . ALA A 1 15  ? 4.470   -12.747 -14.069 1.000 13.800 0 15  ALA A CA  1 ? 
ATOM   128  C C   . ALA A 1 15  ? 4.636   -11.373 -13.418 1.000 12.857 0 15  ALA A C   1 ? 
ATOM   129  O O   . ALA A 1 15  ? 4.446   -10.342 -14.054 1.000 14.060 0 15  ALA A O   1 ? 
ATOM   130  C CB  . ALA A 1 15  ? 5.797   -13.279 -14.598 1.000 14.963 0 15  ALA A CB  1 ? 
ATOM   131  N N   . ALA A 1 16  ? 5.032   -11.387 -12.152 1.000 14.321 0 16  ALA A N   1 ? 
ATOM   132  C CA  . ALA A 1 16  ? 5.271   -10.209 -11.335 1.000 15.122 0 16  ALA A CA  1 ? 
ATOM   133  C C   . ALA A 1 16  ? 6.498   -10.457 -10.491 1.000 15.605 0 16  ALA A C   1 ? 
ATOM   134  O O   . ALA A 1 16  ? 6.741   -11.579 -10.023 1.000 15.625 0 16  ALA A O   1 ? 
ATOM   135  C CB  . ALA A 1 16  ? 4.084   -9.925  -10.435 1.000 16.043 0 16  ALA A CB  1 ? 
ATOM   136  N N   . ALA A 1 17  ? 7.262   -9.366  -10.250 1.000 16.108 0 17  ALA A N   1 ? 
ATOM   137  C CA  . ALA A 1 17  ? 8.441   -9.430  -9.419  1.000 16.728 0 17  ALA A CA  1 ? 
ATOM   138  C C   . ALA A 1 17  ? 8.598   -8.107  -8.689  1.000 17.550 0 17  ALA A C   1 ? 
ATOM   139  O O   . ALA A 1 17  ? 8.671   -7.073  -9.322  1.000 17.916 0 17  ALA A O   1 ? 
ATOM   140  C CB  . ALA A 1 17  ? 9.671   -9.737  -10.247 1.000 18.558 0 17  ALA A CB  1 ? 
ATOM   141  N N   . SER A 1 18  ? 8.672   -8.175  -7.362  1.000 15.996 0 18  SER A N   1 ? 
ATOM   142  C CA  . SER A 1 18  ? 8.682   -6.981  -6.525  1.000 18.410 0 18  SER A CA  1 ? 
ATOM   143  C C   . SER A 1 18  ? 9.424   -7.257  -5.236  1.000 19.363 0 18  SER A C   1 ? 
ATOM   144  O O   . SER A 1 18  ? 9.446   -8.372  -4.799  1.000 18.016 0 18  SER A O   1 ? 
ATOM   145  C CB  . SER A 1 18  ? 7.245   -6.562  -6.235  1.000 20.163 0 18  SER A CB  1 ? 
ATOM   146  O OG  . SER A 1 18  ? 7.128   -5.440  -5.346  1.000 23.490 0 18  SER A OG  1 ? 
ATOM   147  N N   . LYS A 1 19  ? 9.893   -6.188  -4.555  1.000 20.464 0 19  LYS A N   1 ? 
ATOM   148  C CA  . LYS A 1 19  ? 10.352  -6.364  -3.197  1.000 23.137 0 19  LYS A CA  1 ? 
ATOM   149  C C   . LYS A 1 19  ? 9.456   -5.585  -2.249  1.000 25.264 0 19  LYS A C   1 ? 
ATOM   150  O O   . LYS A 1 19  ? 9.874   -5.342  -1.122  1.000 28.745 0 19  LYS A O   1 ? 
ATOM   151  C CB  . LYS A 1 19  ? 11.855  -6.059  -3.056  1.000 25.393 0 19  LYS A CB  1 ? 
ATOM   152  C CG  . LYS A 1 19  ? 12.235  -4.602  -3.332  1.000 29.677 0 19  LYS A CG  1 ? 
ATOM   153  C CD  . LYS A 1 19  ? 13.741  -4.375  -3.189  1.000 32.610 0 19  LYS A CD  1 ? 
ATOM   154  C CE  . LYS A 1 19  ? 14.143  -2.944  -3.267  1.000 41.003 0 19  LYS A CE  1 ? 
ATOM   155  N NZ  . LYS A 1 19  ? 13.782  -2.276  -2.009  1.000 45.079 0 19  LYS A NZ  1 ? 
ATOM   156  N N   . GLY A 1 20  ? 8.247   -5.214  -2.681  1.000 23.604 0 20  GLY A N   1 ? 
ATOM   157  C CA  . GLY A 1 20  ? 7.234   -4.656  -1.787  1.000 26.155 0 20  GLY A CA  1 ? 
ATOM   158  C C   . GLY A 1 20  ? 7.131   -3.134  -1.873  1.000 28.049 0 20  GLY A C   1 ? 
ATOM   159  O O   . GLY A 1 20  ? 6.017   -2.620  -1.851  1.000 26.598 0 20  GLY A O   1 ? 
ATOM   160  N N   . ASP A 1 21  ? 8.279   -2.460  -2.077  1.000 29.186 0 21  ASP A N   1 ? 
ATOM   161  C CA  . ASP A 1 21  ? 8.306   -1.012  -2.202  1.000 31.226 0 21  ASP A CA  1 ? 
ATOM   162  C C   . ASP A 1 21  ? 8.863   -0.563  -3.549  1.000 31.744 0 21  ASP A C   1 ? 
ATOM   163  O O   . ASP A 1 21  ? 8.935   0.633   -3.813  1.000 32.698 0 21  ASP A O   1 ? 
ATOM   164  C CB  . ASP A 1 21  ? 9.080   -0.434  -1.023  1.000 34.536 0 21  ASP A CB  1 ? 
ATOM   165  C CG  . ASP A 1 21  ? 10.549  -0.802  -0.997  1.000 39.712 0 21  ASP A CG  1 ? 
ATOM   166  O OD1 . ASP A 1 21  ? 10.938  -1.743  -1.715  1.000 34.409 0 21  ASP A OD1 1 ? 
ATOM   167  O OD2 . ASP A 1 21  ? 11.314  -0.110  -0.291  1.000 48.139 0 21  ASP A OD2 1 ? 
ATOM   168  N N   . ALA A 1 22  ? 9.177   -1.515  -4.439  1.000 25.307 0 22  ALA A N   1 ? 
ATOM   169  C CA  . ALA A 1 22  ? 9.733   -1.253  -5.749  1.000 23.714 0 22  ALA A CA  1 ? 
ATOM   170  C C   . ALA A 1 22  ? 9.535   -2.488  -6.621  1.000 21.340 0 22  ALA A C   1 ? 
ATOM   171  O O   . ALA A 1 22  ? 9.554   -3.609  -6.108  1.000 21.769 0 22  ALA A O   1 ? 
ATOM   172  C CB  . ALA A 1 22  ? 11.215  -1.000  -5.642  1.000 25.257 0 22  ALA A CB  1 ? 
ATOM   173  N N   . ALA A 1 23  ? 9.494   -2.272  -7.922  1.000 19.651 0 23  ALA A N   1 ? 
ATOM   174  C CA  . ALA A 1 23  ? 9.613   -3.374  -8.855  1.000 21.794 0 23  ALA A CA  1 ? 
ATOM   175  C C   . ALA A 1 23  ? 10.990  -3.997  -8.780  1.000 23.838 0 23  ALA A C   1 ? 
ATOM   176  O O   . ALA A 1 23  ? 11.978  -3.315  -8.525  1.000 25.020 0 23  ALA A O   1 ? 
ATOM   177  C CB  . ALA A 1 23  ? 9.400   -2.876  -10.233 1.000 21.662 0 23  ALA A CB  1 ? 
ATOM   178  N N   . LEU A 1 24  ? 11.072  -5.281  -9.126  1.000 19.330 0 24  LEU A N   1 ? 
ATOM   179  C CA  . LEU A 1 24  ? 12.319  -5.886  -9.551  1.000 19.281 0 24  LEU A CA  1 ? 
ATOM   180  C C   . LEU A 1 24  ? 12.349  -5.963  -11.066 1.000 21.578 0 24  LEU A C   1 ? 
ATOM   181  O O   . LEU A 1 24  ? 11.449  -6.506  -11.693 1.000 20.251 0 24  LEU A O   1 ? 
ATOM   182  C CB  . LEU A 1 24  ? 12.472  -7.275  -8.963  1.000 20.909 0 24  LEU A CB  1 ? 
ATOM   183  C CG  . LEU A 1 24  ? 12.433  -7.322  -7.441  1.000 22.877 0 24  LEU A CG  1 ? 
ATOM   184  C CD1 . LEU A 1 24  ? 12.440  -8.772  -7.014  1.000 22.609 0 24  LEU A CD1 1 ? 
ATOM   185  C CD2 . LEU A 1 24  ? 13.591  -6.521  -6.807  1.000 27.985 0 24  LEU A CD2 1 ? 
ATOM   186  N N   . ASP A 1 25  ? 13.409  -5.446  -11.700 1.000 21.363 0 25  ASP A N   1 ? 
ATOM   187  C CA  . ASP A 1 25  ? 13.470  -5.411  -13.149 1.000 20.951 0 25  ASP A CA  1 ? 
ATOM   188  C C   . ASP A 1 25  ? 12.261  -4.591  -13.615 1.000 20.905 0 25  ASP A C   1 ? 
ATOM   189  O O   . ASP A 1 25  ? 11.879  -3.635  -12.956 1.000 23.234 0 25  ASP A O   1 ? 
ATOM   190  C CB  . ASP A 1 25  ? 13.705  -6.801  -13.715 1.000 21.566 0 25  ASP A CB  1 ? 
ATOM   191  C CG  . ASP A 1 25  ? 14.243  -6.857  -15.149 1.000 25.273 0 25  ASP A CG  1 ? 
ATOM   192  O OD1 . ASP A 1 25  ? 13.477  -6.490  -16.070 1.000 26.292 0 25  ASP A OD1 1 ? 
ATOM   193  O OD2 . ASP A 1 25  ? 15.403  -7.291  -15.312 1.000 23.531 0 25  ASP A OD2 1 ? 
ATOM   194  N N   . ALA A 1 26  ? 11.601  -5.023  -14.687 1.000 20.592 0 26  ALA A N   1 ? 
ATOM   195  C CA  . ALA A 1 26  ? 10.431  -4.351  -15.200 1.000 22.496 0 26  ALA A CA  1 ? 
ATOM   196  C C   . ALA A 1 26  ? 9.209   -4.515  -14.293 1.000 22.442 0 26  ALA A C   1 ? 
ATOM   197  O O   . ALA A 1 26  ? 8.230   -3.824  -14.484 1.000 24.605 0 26  ALA A O   1 ? 
ATOM   198  C CB  . ALA A 1 26  ? 10.137  -4.869  -16.591 1.000 25.946 0 26  ALA A CB  1 ? 
ATOM   199  N N   . GLY A 1 27  ? 9.221   -5.496  -13.386 1.000 19.285 0 27  GLY A N   1 ? 
ATOM   200  C CA  . GLY A 1 27  ? 8.153   -5.666  -12.419 1.000 17.703 0 27  GLY A CA  1 ? 
ATOM   201  C C   . GLY A 1 27  ? 7.020   -6.588  -12.872 1.000 18.097 0 27  GLY A C   1 ? 
ATOM   202  O O   . GLY A 1 27  ? 6.314   -7.149  -12.033 1.000 17.705 0 27  GLY A O   1 ? 
ATOM   203  N N   . GLY A 1 28  ? 6.805   -6.741  -14.166 1.000 17.496 0 28  GLY A N   1 ? 
ATOM   204  C CA  . GLY A 1 28  ? 5.787   -7.657  -14.640 1.000 17.183 0 28  GLY A CA  1 ? 
ATOM   205  C C   . GLY A 1 28  ? 5.803   -7.760  -16.148 1.000 17.947 0 28  GLY A C   1 ? 
ATOM   206  O O   . GLY A 1 28  ? 6.315   -6.885  -16.819 1.000 19.067 0 28  GLY A O   1 ? 
ATOM   207  N N   . ARG A 1 29  ? 5.278   -8.862  -16.659 1.000 15.832 0 29  ARG A N   1 ? 
ATOM   208  C CA  . ARG A 1 29  ? 5.215   -9.106  -18.076 1.000 17.443 0 29  ARG A CA  1 ? 
ATOM   209  C C   . ARG A 1 29  ? 4.196   -10.221 -18.303 1.000 16.608 0 29  ARG A C   1 ? 
ATOM   210  O O   . ARG A 1 29  ? 4.118   -11.162 -17.528 1.000 16.251 0 29  ARG A O   1 ? 
ATOM   211  C CB  . ARG A 1 29  ? 6.584   -9.539  -18.613 1.000 21.295 0 29  ARG A CB  1 ? 
ATOM   212  C CG  . ARG A 1 29  ? 6.753   -8.967  -20.011 1.000 23.994 0 29  ARG A CG  1 ? 
ATOM   213  C CD  . ARG A 1 29  ? 7.856   -9.741  -20.681 1.000 22.606 0 29  ARG A CD  1 ? 
ATOM   214  N NE  . ARG A 1 29  ? 7.351   -11.020 -21.177 1.000 22.197 0 29  ARG A NE  1 ? 
ATOM   215  C CZ  . ARG A 1 29  ? 8.051   -11.835 -21.970 1.000 22.750 0 29  ARG A CZ  1 ? 
ATOM   216  N NH1 . ARG A 1 29  ? 9.348   -11.593 -22.138 1.000 22.146 0 29  ARG A NH1 1 ? 
ATOM   217  N NH2 . ARG A 1 29  ? 7.447   -12.862 -22.593 1.000 21.423 0 29  ARG A NH2 1 ? 
ATOM   218  N N   . GLN A 1 30  ? 3.579   -10.185 -19.475 1.000 16.599 0 30  GLN A N   1 ? 
ATOM   219  C CA  . GLN A 1 30  ? 2.781   -11.273 -19.986 1.000 15.091 0 30  GLN A CA  1 ? 
ATOM   220  C C   . GLN A 1 30  ? 3.693   -12.409 -20.451 1.000 15.380 0 30  GLN A C   1 ? 
ATOM   221  O O   . GLN A 1 30  ? 4.702   -12.215 -21.115 1.000 16.893 0 30  GLN A O   1 ? 
ATOM   222  C CB  . GLN A 1 30  ? 1.928   -10.816 -21.171 1.000 16.841 0 30  GLN A CB  1 ? 
ATOM   223  C CG  . GLN A 1 30  ? 0.995   -11.886 -21.686 1.000 17.388 0 30  GLN A CG  1 ? 
ATOM   224  C CD  . GLN A 1 30  ? 0.079   -11.372 -22.781 1.000 21.472 0 30  GLN A CD  1 ? 
ATOM   225  O OE1 . GLN A 1 30  ? -0.386  -10.239 -22.715 1.000 27.263 0 30  GLN A OE1 1 ? 
ATOM   226  N NE2 . GLN A 1 30  ? -0.174  -12.183 -23.776 1.000 25.010 0 30  GLN A NE2 1 ? 
ATOM   227  N N   . LEU A 1 31  ? 3.350   -13.630 -20.062 1.000 13.939 0 31  LEU A N   1 ? 
ATOM   228  C CA  . LEU A 1 31  ? 4.023   -14.829 -20.535 1.000 14.809 0 31  LEU A CA  1 ? 
ATOM   229  C C   . LEU A 1 31  ? 2.953   -15.738 -21.111 1.000 15.191 0 31  LEU A C   1 ? 
ATOM   230  O O   . LEU A 1 31  ? 2.190   -16.381 -20.383 1.000 13.843 0 31  LEU A O   1 ? 
ATOM   231  C CB  . LEU A 1 31  ? 4.728   -15.592 -19.409 1.000 16.289 0 31  LEU A CB  1 ? 
ATOM   232  C CG  . LEU A 1 31  ? 5.960   -14.984 -18.781 1.000 20.527 0 31  LEU A CG  1 ? 
ATOM   233  C CD1 . LEU A 1 31  ? 6.432   -15.863 -17.630 1.000 23.596 0 31  LEU A CD1 1 ? 
ATOM   234  C CD2 . LEU A 1 31  ? 7.041   -14.771 -19.748 1.000 22.704 0 31  LEU A CD2 1 ? 
ATOM   235  N N   . ASN A 1 32  ? 2.959   -15.919 -22.427 1.000 14.001 0 32  ASN A N   1 ? 
ATOM   236  C CA  . ASN A 1 32  ? 2.139   -16.948 -23.023 1.000 14.896 0 32  ASN A CA  1 ? 
ATOM   237  C C   . ASN A 1 32  ? 2.725   -18.302 -22.673 1.000 14.178 0 32  ASN A C   1 ? 
ATOM   238  O O   . ASN A 1 32  ? 3.859   -18.429 -22.189 1.000 14.290 0 32  ASN A O   1 ? 
ATOM   239  C CB  . ASN A 1 32  ? 2.024   -16.732 -24.529 1.000 17.004 0 32  ASN A CB  1 ? 
ATOM   240  C CG  . ASN A 1 32  ? 1.346   -15.412 -24.837 1.000 23.089 0 32  ASN A CG  1 ? 
ATOM   241  O OD1 . ASN A 1 32  ? 0.422   -14.985 -24.149 1.000 24.953 0 32  ASN A OD1 1 ? 
ATOM   242  N ND2 . ASN A 1 32  ? 1.814   -14.722 -25.860 1.000 29.818 0 32  ASN A ND2 1 ? 
ATOM   243  N N   . SER A 1 33  ? 1.943   -19.339 -22.932 1.000 14.385 0 33  SER A N   1 ? 
ATOM   244  C CA  . SER A 1 33  ? 2.349   -20.702 -22.694 1.000 14.449 0 33  SER A CA  1 ? 
ATOM   245  C C   . SER A 1 33  ? 3.662   -20.981 -23.399 1.000 14.675 0 33  SER A C   1 ? 
ATOM   246  O O   . SER A 1 33  ? 3.708   -20.910 -24.629 1.000 14.029 0 33  SER A O   1 ? 
ATOM   247  C CB  . SER A 1 33  ? 1.298   -21.662 -23.157 1.000 16.651 0 33  SER A CB  1 ? 
ATOM   248  O OG  . SER A 1 33  ? 1.715   -22.989 -22.950 1.000 16.693 0 33  SER A OG  1 ? 
ATOM   249  N N   . GLY A 1 34  ? 4.671   -21.376 -22.628 1.000 14.105 0 34  GLY A N   1 ? 
ATOM   250  C CA  . GLY A 1 34  ? 5.988   -21.715 -23.121 1.000 13.575 0 34  GLY A CA  1 ? 
ATOM   251  C C   . GLY A 1 34  ? 7.003   -20.574 -23.066 1.000 14.203 0 34  GLY A C   1 ? 
ATOM   252  O O   . GLY A 1 34  ? 8.196   -20.847 -23.249 1.000 15.426 0 34  GLY A O   1 ? 
ATOM   253  N N   . GLU A 1 35  ? 6.578   -19.316 -22.861 1.000 13.821 0 35  GLU A N   1 ? 
ATOM   254  C CA  . GLU A 1 35  ? 7.483   -18.182 -22.921 1.000 13.997 0 35  GLU A CA  1 ? 
ATOM   255  C C   . GLU A 1 35  ? 8.351   -18.104 -21.671 1.000 13.438 0 35  GLU A C   1 ? 
ATOM   256  O O   . GLU A 1 35  ? 7.952   -18.519 -20.569 1.000 15.173 0 35  GLU A O   1 ? 
ATOM   257  C CB  . GLU A 1 35  ? 6.730   -16.869 -23.089 1.000 14.359 0 35  GLU A CB  1 ? 
ATOM   258  C CG  . GLU A 1 35  ? 6.166   -16.724 -24.509 1.000 15.401 0 35  GLU A CG  1 ? 
ATOM   259  C CD  . GLU A 1 35  ? 5.574   -15.371 -24.784 1.000 18.480 0 35  GLU A CD  1 ? 
ATOM   260  O OE1 . GLU A 1 35  ? 5.113   -14.687 -23.858 1.000 16.437 0 35  GLU A OE1 1 ? 
ATOM   261  O OE2 . GLU A 1 35  ? 5.607   -14.973 -25.976 1.000 21.705 0 35  GLU A OE2 1 ? 
ATOM   262  N N   . SER A 1 36  ? 9.519   -17.511 -21.822 1.000 14.100 0 36  SER A N   1 ? 
ATOM   263  C CA  . SER A 1 36  ? 10.490  -17.360 -20.758 1.000 15.245 0 36  SER A CA  1 ? 
ATOM   264  C C   . SER A 1 36  ? 10.855  -15.888 -20.688 1.000 17.177 0 36  SER A C   1 ? 
ATOM   265  O O   . SER A 1 36  ? 11.030  -15.237 -21.709 1.000 18.179 0 36  SER A O   1 ? 
ATOM   266  C CB  . SER A 1 36  ? 11.740  -18.161 -21.042 1.000 17.355 0 36  SER A CB  1 ? 
ATOM   267  O OG  . SER A 1 36  ? 11.452  -19.542 -21.205 1.000 17.492 0 36  SER A OG  1 ? 
ATOM   268  N N   . TRP A 1 37  ? 11.014  -15.376 -19.489 1.000 16.537 0 37  TRP A N   1 ? 
ATOM   269  C CA  . TRP A 1 37  ? 11.336  -13.979 -19.235 1.000 17.029 0 37  TRP A CA  1 ? 
ATOM   270  C C   . TRP A 1 37  ? 12.546  -13.977 -18.317 1.000 18.031 0 37  TRP A C   1 ? 
ATOM   271  O O   . TRP A 1 37  ? 12.488  -14.555 -17.243 1.000 17.428 0 37  TRP A O   1 ? 
ATOM   272  C CB  . TRP A 1 37  ? 10.157  -13.276 -18.590 1.000 19.824 0 37  TRP A CB  1 ? 
ATOM   273  C CG  . TRP A 1 37  ? 10.382  -11.831 -18.246 1.000 20.667 0 37  TRP A CG  1 ? 
ATOM   274  C CD1 . TRP A 1 37  ? 11.116  -10.877 -18.871 1.000 24.366 0 37  TRP A CD1 1 ? 
ATOM   275  C CD2 . TRP A 1 37  ? 9.784   -11.197 -17.101 1.000 20.050 0 37  TRP A CD2 1 ? 
ATOM   276  N NE1 . TRP A 1 37  ? 10.964  -9.678  -18.207 1.000 24.903 0 37  TRP A NE1 1 ? 
ATOM   277  C CE2 . TRP A 1 37  ? 10.165  -9.836  -17.129 1.000 22.318 0 37  TRP A CE2 1 ? 
ATOM   278  C CE3 . TRP A 1 37  ? 8.971   -11.646 -16.076 1.000 20.379 0 37  TRP A CE3 1 ? 
ATOM   279  C CZ2 . TRP A 1 37  ? 9.762   -8.953  -16.126 1.000 22.857 0 37  TRP A CZ2 1 ? 
ATOM   280  C CZ3 . TRP A 1 37  ? 8.573   -10.772 -15.091 1.000 23.180 0 37  TRP A CZ3 1 ? 
ATOM   281  C CH2 . TRP A 1 37  ? 8.977   -9.449  -15.125 1.000 22.417 0 37  TRP A CH2 1 ? 
ATOM   282  N N   . THR A 1 38  ? 13.642  -13.338 -18.727 1.000 18.419 0 38  THR A N   1 ? 
ATOM   283  C CA  . THR A 1 38  ? 14.838  -13.303 -17.902 1.000 20.198 0 38  THR A CA  1 ? 
ATOM   284  C C   . THR A 1 38  ? 14.939  -11.918 -17.260 1.000 19.444 0 38  THR A C   1 ? 
ATOM   285  O O   . THR A 1 38  ? 14.851  -10.896 -17.952 1.000 20.822 0 38  THR A O   1 ? 
ATOM   286  C CB  . THR A 1 38  ? 16.067  -13.590 -18.752 1.000 24.015 0 38  THR A CB  1 ? 
ATOM   287  O OG1 . THR A 1 38  ? 15.982  -14.928 -19.256 1.000 28.478 0 38  THR A OG1 1 ? 
ATOM   288  C CG2 . THR A 1 38  ? 17.308  -13.465 -17.900 1.000 27.682 0 38  THR A CG2 1 ? 
ATOM   289  N N   . ILE A 1 39  ? 15.020  -11.912 -15.927 1.000 20.017 0 39  ILE A N   1 ? 
ATOM   290  C CA  . ILE A 1 39  ? 15.185  -10.665 -15.174 1.000 19.816 0 39  ILE A CA  1 ? 
ATOM   291  C C   . ILE A 1 39  ? 16.519  -10.676 -14.434 1.000 20.082 0 39  ILE A C   1 ? 
ATOM   292  O O   . ILE A 1 39  ? 17.056  -11.714 -14.058 1.000 19.904 0 39  ILE A O   1 ? 
ATOM   293  C CB  . ILE A 1 39  ? 13.996  -10.403 -14.246 1.000 20.530 0 39  ILE A CB  1 ? 
ATOM   294  C CG1 . ILE A 1 39  ? 13.871  -11.407 -13.136 1.000 19.345 0 39  ILE A CG1 1 ? 
ATOM   295  C CG2 . ILE A 1 39  ? 12.718  -10.272 -15.083 1.000 23.260 0 39  ILE A CG2 1 ? 
ATOM   296  C CD1 . ILE A 1 39  ? 12.945  -10.938 -12.035 1.000 21.384 0 39  ILE A CD1 1 ? 
ATOM   297  N N   . ASN A 1 40  ? 17.006  -9.451  -14.168 1.000 21.808 0 40  ASN A N   1 ? 
ATOM   298  C CA  . ASN A 1 40  ? 18.162  -9.239  -13.308 1.000 20.817 0 40  ASN A CA  1 ? 
ATOM   299  C C   . ASN A 1 40  ? 17.679  -8.605  -12.023 1.000 19.801 0 40  ASN A C   1 ? 
ATOM   300  O O   . ASN A 1 40  ? 16.938  -7.629  -12.071 1.000 23.194 0 40  ASN A O   1 ? 
ATOM   301  C CB  . ASN A 1 40  ? 19.149  -8.324  -14.031 1.000 27.299 0 40  ASN A CB  1 ? 
ATOM   302  C CG  . ASN A 1 40  ? 19.801  -9.123  -15.131 1.000 37.904 0 40  ASN A CG  1 ? 
ATOM   303  O OD1 . ASN A 1 40  ? 20.538  -10.081 -14.845 1.000 45.671 0 40  ASN A OD1 1 ? 
ATOM   304  N ND2 . ASN A 1 40  ? 19.415  -8.850  -16.374 1.000 44.937 0 40  ASN A ND2 1 ? 
ATOM   305  N N   . VAL A 1 41  ? 18.106  -9.219  -10.926 1.000 21.211 0 41  VAL A N   1 ? 
ATOM   306  C CA  . VAL A 1 41  ? 17.819  -8.777  -9.576  1.000 22.327 0 41  VAL A CA  1 ? 
ATOM   307  C C   . VAL A 1 41  ? 19.130  -8.346  -8.914  1.000 23.693 0 41  VAL A C   1 ? 
ATOM   308  O O   . VAL A 1 41  ? 20.088  -9.102  -8.868  1.000 22.075 0 41  VAL A O   1 ? 
ATOM   309  C CB  . VAL A 1 41  ? 17.139  -9.909  -8.803  1.000 22.163 0 41  VAL A CB  1 ? 
ATOM   310  C CG1 . VAL A 1 41  ? 16.917  -9.468  -7.360  1.000 22.883 0 41  VAL A CG1 1 ? 
ATOM   311  C CG2 . VAL A 1 41  ? 15.797  -10.324 -9.419  1.000 23.858 0 41  VAL A CG2 1 ? 
ATOM   312  N N   . GLU A 1 42  ? 19.124  -7.141  -8.356  1.000 25.133 0 42  GLU A N   1 ? 
ATOM   313  C CA  . GLU A 1 42  ? 20.333  -6.560  -7.776  1.000 25.804 0 42  GLU A CA  1 ? 
ATOM   314  C C   . GLU A 1 42  ? 20.806  -7.436  -6.621  1.000 24.900 0 42  GLU A C   1 ? 
ATOM   315  O O   . GLU A 1 42  ? 20.008  -7.886  -5.774  1.000 21.535 0 42  GLU A O   1 ? 
ATOM   316  C CB  . GLU A 1 42  ? 20.052  -5.127  -7.309  1.000 29.334 0 42  GLU A CB  1 ? 
ATOM   317  C CG  . GLU A 1 42  ? 21.266  -4.210  -7.476  1.000 42.303 0 42  GLU A CG  1 ? 
ATOM   318  C CD  . GLU A 1 42  ? 21.381  -3.013  -6.551  0.230 40.776 0 42  GLU A CD  1 ? 
ATOM   319  O OE1 . GLU A 1 42  ? 22.346  -2.249  -6.768  0.690 43.861 0 42  GLU A OE1 1 ? 
ATOM   320  O OE2 . GLU A 1 42  ? 20.565  -2.857  -5.618  0.620 43.305 0 42  GLU A OE2 1 ? 
ATOM   321  N N   . PRO A 1 43  ? 22.113  -7.724  -6.517  1.000 23.520 0 43  PRO A N   1 ? 
ATOM   322  C CA  . PRO A 1 43  ? 22.656  -8.382  -5.338  1.000 22.358 0 43  PRO A CA  1 ? 
ATOM   323  C C   . PRO A 1 43  ? 22.272  -7.624  -4.072  1.000 22.192 0 43  PRO A C   1 ? 
ATOM   324  O O   . PRO A 1 43  ? 22.114  -6.401  -4.099  1.000 23.911 0 43  PRO A O   1 ? 
ATOM   325  C CB  . PRO A 1 43  ? 24.199  -8.370  -5.536  1.000 26.454 0 43  PRO A CB  1 ? 
ATOM   326  C CG  . PRO A 1 43  ? 24.408  -8.045  -6.986  1.000 28.232 0 43  PRO A CG  1 ? 
ATOM   327  C CD  . PRO A 1 43  ? 23.158  -7.364  -7.499  1.000 25.096 0 43  PRO A CD  1 ? 
ATOM   328  N N   . GLY A 1 44  ? 22.050  -8.389  -2.989  1.000 22.768 0 44  GLY A N   1 ? 
ATOM   329  C CA  . GLY A 1 44  ? 21.669  -7.811  -1.712  1.000 23.007 0 44  GLY A CA  1 ? 
ATOM   330  C C   . GLY A 1 44  ? 20.166  -7.620  -1.540  1.000 24.245 0 44  GLY A C   1 ? 
ATOM   331  O O   . GLY A 1 44  ? 19.729  -7.168  -0.481  1.000 26.551 0 44  GLY A O   1 ? 
ATOM   332  N N   . THR A 1 45  ? 19.366  -7.895  -2.586  1.000 21.670 0 45  THR A N   1 ? 
ATOM   333  C CA  . THR A 1 45  ? 17.921  -7.754  -2.502  1.000 21.516 0 45  THR A CA  1 ? 
ATOM   334  C C   . THR A 1 45  ? 17.395  -8.647  -1.377  1.000 20.473 0 45  THR A C   1 ? 
ATOM   335  O O   . THR A 1 45  ? 17.630  -9.852  -1.331  1.000 21.150 0 45  THR A O   1 ? 
ATOM   336  C CB  . THR A 1 45  ? 17.254  -8.124  -3.829  1.000 22.543 0 45  THR A CB  1 ? 
ATOM   337  O OG1 . THR A 1 45  ? 17.638  -7.142  -4.788  1.000 23.749 0 45  THR A OG1 1 ? 
ATOM   338  C CG2 . THR A 1 45  ? 15.740  -8.163  -3.720  1.000 23.407 0 45  THR A CG2 1 ? 
ATOM   339  N N   . ASN A 1 46  ? 16.655  -8.021  -0.467  1.000 21.178 0 46  ASN A N   1 ? 
ATOM   340  C CA  . ASN A 1 46  ? 16.092  -8.682  0.690   1.000 24.750 0 46  ASN A CA  1 ? 
ATOM   341  C C   . ASN A 1 46  ? 14.584  -8.629  0.512   1.000 22.649 0 46  ASN A C   1 ? 
ATOM   342  O O   . ASN A 1 46  ? 14.062  -7.571  0.189   1.000 22.683 0 46  ASN A O   1 ? 
ATOM   343  C CB  . ASN A 1 46  ? 16.436  -7.905  1.957   1.000 29.982 0 46  ASN A CB  1 ? 
ATOM   344  C CG  . ASN A 1 46  ? 16.393  -8.756  3.194   1.000 44.700 0 46  ASN A CG  1 ? 
ATOM   345  O OD1 . ASN A 1 46  ? 15.433  -9.499  3.416   1.000 56.763 0 46  ASN A OD1 1 ? 
ATOM   346  N ND2 . ASN A 1 46  ? 17.419  -8.645  4.024   1.000 56.441 0 46  ASN A ND2 1 ? 
ATOM   347  N N   . GLY A 1 47  ? 13.909  -9.776  0.631   1.000 20.246 0 47  GLY A N   1 ? 
ATOM   348  C CA  . GLY A 1 47  ? 12.459  -9.737  0.652   1.000 21.210 0 47  GLY A CA  1 ? 
ATOM   349  C C   . GLY A 1 47  ? 11.824  -9.625  -0.737  1.000 21.034 0 47  GLY A C   1 ? 
ATOM   350  O O   . GLY A 1 47  ? 10.748  -9.055  -0.885  1.000 20.986 0 47  GLY A O   1 ? 
ATOM   351  N N   . GLY A 1 48  ? 12.488  -10.150 -1.760  1.000 16.368 0 48  GLY A N   1 ? 
ATOM   352  C CA  . GLY A 1 48  ? 11.889  -10.195 -3.068  1.000 14.906 0 48  GLY A CA  1 ? 
ATOM   353  C C   . GLY A 1 48  ? 10.934  -11.385 -3.204  1.000 15.177 0 48  GLY A C   1 ? 
ATOM   354  O O   . GLY A 1 48  ? 11.069  -12.439 -2.552  1.000 16.596 0 48  GLY A O   1 ? 
ATOM   355  N N   . LYS A 1 49  ? 9.947   -11.172 -4.086  1.000 15.744 0 49  LYS A N   1 ? 
ATOM   356  C CA  . LYS A 1 49  ? 8.962   -12.196 -4.390  1.000 15.016 0 49  LYS A CA  1 ? 
ATOM   357  C C   . LYS A 1 49  ? 8.635   -12.173 -5.877  1.000 14.286 0 49  LYS A C   1 ? 
ATOM   358  O O   . LYS A 1 49  ? 8.602   -11.125 -6.513  1.000 16.265 0 49  LYS A O   1 ? 
ATOM   359  C CB  . LYS A 1 49  ? 7.680   -11.963 -3.587  1.000 16.106 0 49  LYS A CB  1 ? 
ATOM   360  C CG  . LYS A 1 49  ? 7.881   -11.831 -2.101  1.000 17.885 0 49  LYS A CG  1 ? 
ATOM   361  C CD  . LYS A 1 49  ? 6.570   -11.830 -1.344  1.000 20.729 0 49  LYS A CD  1 ? 
ATOM   362  C CE  . LYS A 1 49  ? 6.715   -11.423 0.096   1.000 22.268 0 49  LYS A CE  1 ? 
ATOM   363  N NZ  . LYS A 1 49  ? 7.551   -12.280 0.905   1.000 24.519 0 49  LYS A NZ  1 ? 
ATOM   364  N N   . ILE A 1 50  ? 8.374   -13.366 -6.388  1.000 13.716 0 50  ILE A N   1 ? 
ATOM   365  C CA  . ILE A 1 50  ? 7.884   -13.540 -7.756  1.000 14.114 0 50  ILE A CA  1 ? 
ATOM   366  C C   . ILE A 1 50  ? 6.622   -14.356 -7.670  1.000 12.966 0 50  ILE A C   1 ? 
ATOM   367  O O   . ILE A 1 50  ? 6.534   -15.286 -6.877  1.000 14.214 0 50  ILE A O   1 ? 
ATOM   368  C CB  . ILE A 1 50  ? 8.943   -14.248 -8.611  1.000 15.744 0 50  ILE A CB  1 ? 
ATOM   369  C CG1 . ILE A 1 50  ? 10.098  -13.334 -8.910  1.000 16.696 0 50  ILE A CG1 1 ? 
ATOM   370  C CG2 . ILE A 1 50  ? 8.350   -14.823 -9.894  1.000 16.018 0 50  ILE A CG2 1 ? 
ATOM   371  C CD1 . ILE A 1 50  ? 11.351  -14.060 -9.390  1.000 17.328 0 50  ILE A CD1 1 ? 
ATOM   372  N N   . TRP A 1 51  ? 5.633   -13.975 -8.468  1.000 13.555 0 51  TRP A N   1 ? 
ATOM   373  C CA  . TRP A 1 51  ? 4.378   -14.718 -8.509  1.000 13.132 0 51  TRP A CA  1 ? 
ATOM   374  C C   . TRP A 1 51  ? 3.775   -14.585 -9.894  1.000 14.727 0 51  TRP A C   1 ? 
ATOM   375  O O   . TRP A 1 51  ? 4.227   -13.767 -10.738 1.000 13.726 0 51  TRP A O   1 ? 
ATOM   376  C CB  . TRP A 1 51  ? 3.417   -14.216 -7.418  1.000 13.609 0 51  TRP A CB  1 ? 
ATOM   377  C CG  . TRP A 1 51  ? 2.879   -12.814 -7.569  1.000 12.973 0 51  TRP A CG  1 ? 
ATOM   378  C CD1 . TRP A 1 51  ? 1.655   -12.430 -8.029  1.000 12.704 0 51  TRP A CD1 1 ? 
ATOM   379  C CD2 . TRP A 1 51  ? 3.545   -11.568 -7.228  1.000 14.591 0 51  TRP A CD2 1 ? 
ATOM   380  N NE1 . TRP A 1 51  ? 1.506   -11.072 -7.974  1.000 15.197 0 51  TRP A NE1 1 ? 
ATOM   381  C CE2 . TRP A 1 51  ? 2.648   -10.509 -7.483  1.000 14.405 0 51  TRP A CE2 1 ? 
ATOM   382  C CE3 . TRP A 1 51  ? 4.831   -11.278 -6.749  1.000 16.053 0 51  TRP A CE3 1 ? 
ATOM   383  C CZ2 . TRP A 1 51  ? 3.002   -9.172  -7.300  1.000 16.498 0 51  TRP A CZ2 1 ? 
ATOM   384  C CZ3 . TRP A 1 51  ? 5.180   -9.948  -6.576  1.000 16.849 0 51  TRP A CZ3 1 ? 
ATOM   385  C CH2 . TRP A 1 51  ? 4.257   -8.929  -6.806  1.000 17.833 0 51  TRP A CH2 1 ? 
ATOM   386  N N   . ALA A 1 52  ? 2.731   -15.388 -10.128 1.000 13.907 0 52  ALA A N   1 ? 
ATOM   387  C CA  . ALA A 1 52  ? 1.932   -15.340 -11.328 1.000 13.372 0 52  ALA A CA  1 ? 
ATOM   388  C C   . ALA A 1 52  ? 0.607   -14.686 -10.984 1.000 13.240 0 52  ALA A C   1 ? 
ATOM   389  O O   . ALA A 1 52  ? 0.083   -14.822 -9.878  1.000 14.635 0 52  ALA A O   1 ? 
ATOM   390  C CB  . ALA A 1 52  ? 1.704   -16.741 -11.877 1.000 15.569 0 52  ALA A CB  1 ? 
ATOM   391  N N   . ARG A 1 53  ? 0.098   -13.971 -11.963 1.000 13.920 0 53  ARG A N   1 ? 
ATOM   392  C CA  . ARG A 1 53  ? -1.254  -13.452 -11.974 1.000 13.903 0 53  ARG A CA  1 ? 
ATOM   393  C C   . ARG A 1 53  ? -2.036  -14.086 -13.097 1.000 13.127 0 53  ARG A C   1 ? 
ATOM   394  O O   . ARG A 1 53  ? -1.499  -14.313 -14.185 1.000 14.429 0 53  ARG A O   1 ? 
ATOM   395  C CB  . ARG A 1 53  ? -1.148  -11.939 -12.195 1.000 14.178 0 53  ARG A CB  1 ? 
ATOM   396  C CG  . ARG A 1 53  ? -0.351  -11.252 -11.101 1.000 14.339 0 53  ARG A CG  1 ? 
ATOM   397  C CD  . ARG A 1 53  ? -0.139  -9.788  -11.426 1.000 15.158 0 53  ARG A CD  1 ? 
ATOM   398  N NE  . ARG A 1 53  ? 0.818   -9.657  -12.519 1.000 15.673 0 53  ARG A NE  1 ? 
ATOM   399  C CZ  . ARG A 1 53  ? 1.177   -8.501  -13.083 1.000 15.602 0 53  ARG A CZ  1 ? 
ATOM   400  N NH1 . ARG A 1 53  ? 0.509   -7.381  -12.818 1.000 17.135 0 53  ARG A NH1 1 ? 
ATOM   401  N NH2 . ARG A 1 53  ? 2.183   -8.473  -13.927 1.000 18.749 0 53  ARG A NH2 1 ? 
ATOM   402  N N   . THR A 1 54  ? -3.335  -14.348 -12.859 1.000 14.698 0 54  THR A N   1 ? 
ATOM   403  C CA  . THR A 1 54  ? -4.203  -14.997 -13.826 1.000 15.232 0 54  THR A CA  1 ? 
ATOM   404  C C   . THR A 1 54  ? -5.347  -14.068 -14.214 1.000 15.825 0 54  THR A C   1 ? 
ATOM   405  O O   . THR A 1 54  ? -5.755  -13.201 -13.461 1.000 16.276 0 54  THR A O   1 ? 
ATOM   406  C CB  . THR A 1 54  ? -4.725  -16.346 -13.338 1.000 17.546 0 54  THR A CB  1 ? 
ATOM   407  O OG1 . THR A 1 54  ? -5.497  -16.116 -12.153 1.000 17.705 0 54  THR A OG1 1 ? 
ATOM   408  C CG2 . THR A 1 54  ? -3.580  -17.287 -13.024 1.000 18.562 0 54  THR A CG2 1 ? 
ATOM   409  N N   . ASP A 1 55  ? -5.843  -14.272 -15.441 1.000 15.492 0 55  ASP A N   1 ? 
ATOM   410  C CA  . ASP A 1 55  ? -7.039  -13.608 -15.956 1.000 17.976 0 55  ASP A CA  1 ? 
ATOM   411  C C   . ASP A 1 55  ? -6.917  -12.093 -15.860 1.000 18.962 0 55  ASP A C   1 ? 
ATOM   412  O O   . ASP A 1 55  ? -7.713  -11.440 -15.207 1.000 20.205 0 55  ASP A O   1 ? 
ATOM   413  C CB  . ASP A 1 55  ? -8.280  -14.200 -15.308 1.000 20.541 0 55  ASP A CB  1 ? 
ATOM   414  C CG  . ASP A 1 55  ? -8.522  -15.652 -15.691 1.000 24.175 0 55  ASP A CG  1 ? 
ATOM   415  O OD1 . ASP A 1 55  ? -8.532  -15.914 -16.895 0.520 25.414 0 55  ASP A OD1 1 ? 
ATOM   416  O OD2 . ASP A 1 55  ? -8.555  -16.483 -14.768 0.640 28.069 0 55  ASP A OD2 1 ? 
ATOM   417  N N   . CYS A 1 56  ? -5.891  -11.520 -16.506 1.000 17.829 0 56  CYS A N   1 ? 
ATOM   418  C CA  . CYS A 1 56  ? -5.653  -10.096 -16.450 1.000 17.074 0 56  CYS A CA  1 ? 
ATOM   419  C C   . CYS A 1 56  ? -6.116  -9.454  -17.761 1.000 19.538 0 56  CYS A C   1 ? 
ATOM   420  O O   . CYS A 1 56  ? -6.064  -10.056 -18.836 1.000 21.027 0 56  CYS A O   1 ? 
ATOM   421  C CB  . CYS A 1 56  ? -4.158  -9.747  -16.369 1.000 16.692 0 56  CYS A CB  1 ? 
ATOM   422  S SG  . CYS A 1 56  ? -3.299  -10.495 -14.956 1.000 17.361 0 56  CYS A SG  1 ? 
ATOM   423  N N   . TYR A 1 57  ? -6.488  -8.190  -17.622 1.000 20.651 0 57  TYR A N   1 ? 
ATOM   424  C CA  A TYR A 1 57  ? -6.785  -7.282  -18.717 0.590 21.246 0 57  TYR A CA  1 ? 
ATOM   425  C CA  B TYR A 1 57  ? -6.751  -7.307  -18.738 0.410 23.030 0 57  TYR A CA  1 ? 
ATOM   426  C C   . TYR A 1 57  ? -6.025  -5.998  -18.456 1.000 23.101 0 57  TYR A C   1 ? 
ATOM   427  O O   . TYR A 1 57  ? -6.211  -5.385  -17.408 1.000 26.619 0 57  TYR A O   1 ? 
ATOM   428  C CB  A TYR A 1 57  ? -8.284  -6.981  -18.775 0.590 22.448 0 57  TYR A CB  1 ? 
ATOM   429  C CB  B TYR A 1 57  ? -8.238  -7.037  -18.975 0.410 26.164 0 57  TYR A CB  1 ? 
ATOM   430  C CG  A TYR A 1 57  ? -9.032  -8.216  -19.227 0.590 22.611 0 57  TYR A CG  1 ? 
ATOM   431  C CG  B TYR A 1 57  ? -8.370  -5.742  -19.761 0.410 28.744 0 57  TYR A CG  1 ? 
ATOM   432  C CD1 A TYR A 1 57  ? -9.101  -8.551  -20.578 0.590 25.821 0 57  TYR A CD1 1 ? 
ATOM   433  C CD1 B TYR A 1 57  ? -8.017  -5.693  -21.105 0.410 30.060 0 57  TYR A CD1 1 ? 
ATOM   434  C CD2 A TYR A 1 57  ? -9.515  -9.130  -18.305 0.590 22.287 0 57  TYR A CD2 1 ? 
ATOM   435  C CD2 B TYR A 1 57  ? -8.715  -4.551  -19.130 0.410 32.132 0 57  TYR A CD2 1 ? 
ATOM   436  C CE1 A TYR A 1 57  ? -9.735  -9.710  -20.990 0.590 26.133 0 57  TYR A CE1 1 ? 
ATOM   437  C CE1 B TYR A 1 57  ? -8.084  -4.509  -21.822 0.410 30.514 0 57  TYR A CE1 1 ? 
ATOM   438  C CE2 A TYR A 1 57  ? -10.152 -10.289 -18.704 0.590 26.153 0 57  TYR A CE2 1 ? 
ATOM   439  C CE2 B TYR A 1 57  ? -8.762  -3.357  -19.829 0.410 32.169 0 57  TYR A CE2 1 ? 
ATOM   440  C CZ  A TYR A 1 57  ? -10.241 -10.584 -20.052 0.590 26.885 0 57  TYR A CZ  1 ? 
ATOM   441  C CZ  B TYR A 1 57  ? -8.464  -3.344  -21.181 0.410 31.713 0 57  TYR A CZ  1 ? 
ATOM   442  O OH  A TYR A 1 57  ? -10.849 -11.749 -20.383 0.590 32.977 0 57  TYR A OH  1 ? 
ATOM   443  O OH  B TYR A 1 57  ? -8.517  -2.176  -21.880 0.410 36.675 0 57  TYR A OH  1 ? 
ATOM   444  N N   . PHE A 1 58  ? -5.206  -5.582  -19.414 1.000 26.478 0 58  PHE A N   1 ? 
ATOM   445  C CA  . PHE A 1 58  ? -4.491  -4.333  -19.334 1.000 26.277 0 58  PHE A CA  1 ? 
ATOM   446  C C   . PHE A 1 58  ? -4.747  -3.510  -20.596 1.000 30.466 0 58  PHE A C   1 ? 
ATOM   447  O O   . PHE A 1 58  ? -4.936  -4.068  -21.676 1.000 34.105 0 58  PHE A O   1 ? 
ATOM   448  C CB  . PHE A 1 58  ? -3.001  -4.609  -19.176 1.000 24.276 0 58  PHE A CB  1 ? 
ATOM   449  C CG  . PHE A 1 58  ? -2.656  -5.290  -17.864 1.000 22.658 0 58  PHE A CG  1 ? 
ATOM   450  C CD1 . PHE A 1 58  ? -2.744  -4.585  -16.677 1.000 23.505 0 58  PHE A CD1 1 ? 
ATOM   451  C CD2 . PHE A 1 58  ? -2.247  -6.618  -17.817 1.000 21.796 0 58  PHE A CD2 1 ? 
ATOM   452  C CE1 . PHE A 1 58  ? -2.428  -5.179  -15.474 1.000 24.461 0 58  PHE A CE1 1 ? 
ATOM   453  C CE2 . PHE A 1 58  ? -1.897  -7.190  -16.618 1.000 21.918 0 58  PHE A CE2 1 ? 
ATOM   454  C CZ  . PHE A 1 58  ? -2.030  -6.479  -15.441 1.000 22.619 0 58  PHE A CZ  1 ? 
ATOM   455  N N   . ASP A 1 59  ? -4.823  -2.190  -20.411 1.000 32.913 0 59  ASP A N   1 ? 
ATOM   456  C CA  . ASP A 1 59  ? -4.942  -1.282  -21.535 1.000 35.676 0 59  ASP A CA  1 ? 
ATOM   457  C C   . ASP A 1 59  ? -3.542  -0.984  -22.059 1.000 40.762 0 59  ASP A C   1 ? 
ATOM   458  O O   . ASP A 1 59  ? -2.532  -1.518  -21.587 1.000 37.888 0 59  ASP A O   1 ? 
ATOM   459  C CB  . ASP A 1 59  ? -5.715  -0.040  -21.128 1.000 34.148 0 59  ASP A CB  1 ? 
ATOM   460  C CG  . ASP A 1 59  ? -5.005  0.887   -20.165 1.000 37.327 0 59  ASP A CG  1 ? 
ATOM   461  O OD1 . ASP A 1 59  ? -3.768  0.729   -19.955 1.000 34.460 0 59  ASP A OD1 1 ? 
ATOM   462  O OD2 . ASP A 1 59  ? -5.698  1.756   -19.615 1.000 46.257 0 59  ASP A OD2 1 ? 
ATOM   463  N N   . ASP A 1 60  ? -3.496  -0.081  -23.044 1.000 49.355 0 60  ASP A N   1 ? 
ATOM   464  C CA  . ASP A 1 60  ? -2.246  0.329   -23.657 1.000 51.782 0 60  ASP A CA  1 ? 
ATOM   465  C C   . ASP A 1 60  ? -1.286  0.952   -22.654 1.000 44.672 0 60  ASP A C   1 ? 
ATOM   466  O O   . ASP A 1 60  ? -0.085  0.881   -22.882 1.000 57.055 0 60  ASP A O   1 ? 
ATOM   467  C CB  . ASP A 1 60  ? -2.474  1.273   -24.828 1.000 55.150 0 60  ASP A CB  1 ? 
ATOM   468  C CG  . ASP A 1 60  ? -2.415  0.562   -26.162 0.650 53.405 0 60  ASP A CG  1 ? 
ATOM   469  O OD1 . ASP A 1 60  ? -3.201  -0.393  -26.333 1.000 54.864 0 60  ASP A OD1 1 ? 
ATOM   470  O OD2 . ASP A 1 60  ? -1.543  0.938   -26.975 0.550 58.786 0 60  ASP A OD2 1 ? 
ATOM   471  N N   . SER A 1 61  ? -1.801  1.570   -21.577 1.000 44.133 0 61  SER A N   1 ? 
ATOM   472  C CA  . SER A 1 61  ? -0.952  2.218   -20.580 1.000 42.765 0 61  SER A CA  1 ? 
ATOM   473  C C   . SER A 1 61  ? -0.394  1.247   -19.520 1.000 39.672 0 61  SER A C   1 ? 
ATOM   474  O O   . SER A 1 61  ? 0.337   1.683   -18.644 1.000 40.276 0 61  SER A O   1 ? 
ATOM   475  C CB  . SER A 1 61  ? -1.681  3.391   -19.931 1.000 46.579 0 61  SER A CB  1 ? 
ATOM   476  O OG  . SER A 1 61  ? -2.617  3.014   -18.920 1.000 51.463 0 61  SER A OG  1 ? 
ATOM   477  N N   . GLY A 1 62  ? -0.782  -0.037  -19.540 1.000 36.174 0 62  GLY A N   1 ? 
ATOM   478  C CA  . GLY A 1 62  ? -0.338  -1.001  -18.532 1.000 35.032 0 62  GLY A CA  1 ? 
ATOM   479  C C   . GLY A 1 62  ? -1.193  -0.968  -17.260 1.000 28.231 0 62  GLY A C   1 ? 
ATOM   480  O O   . GLY A 1 62  ? -0.704  -1.309  -16.187 1.000 28.001 0 62  GLY A O   1 ? 
ATOM   481  N N   . SER A 1 63  ? -2.431  -0.468  -17.384 1.000 28.041 0 63  SER A N   1 ? 
ATOM   482  C CA  A SER A 1 63  ? -3.366  -0.383  -16.268 0.590 28.321 0 63  SER A CA  1 ? 
ATOM   483  C CA  B SER A 1 63  ? -3.374  -0.365  -16.279 0.410 27.400 0 63  SER A CA  1 ? 
ATOM   484  C C   . SER A 1 63  ? -4.527  -1.333  -16.528 1.000 26.775 0 63  SER A C   1 ? 
ATOM   485  O O   . SER A 1 63  ? -4.958  -1.517  -17.660 1.000 26.795 0 63  SER A O   1 ? 
ATOM   486  C CB  A SER A 1 63  ? -3.855  1.034   -16.037 0.590 31.467 0 63  SER A CB  1 ? 
ATOM   487  C CB  B SER A 1 63  ? -3.849  1.070   -16.113 0.410 28.775 0 63  SER A CB  1 ? 
ATOM   488  O OG  A SER A 1 63  ? -2.812  1.873   -15.565 0.590 33.580 0 63  SER A OG  1 ? 
ATOM   489  O OG  B SER A 1 63  ? -4.972  1.173   -15.248 0.410 28.477 0 63  SER A OG  1 ? 
ATOM   490  N N   . GLY A 1 64  ? -5.018  -1.975  -15.459 1.000 24.152 0 64  GLY A N   1 ? 
ATOM   491  C CA  . GLY A 1 64  ? -6.030  -2.975  -15.642 1.000 24.182 0 64  GLY A CA  1 ? 
ATOM   492  C C   . GLY A 1 64  ? -6.357  -3.709  -14.347 1.000 21.027 0 64  GLY A C   1 ? 
ATOM   493  O O   . GLY A 1 64  ? -6.354  -3.134  -13.273 1.000 20.844 0 64  GLY A O   1 ? 
ATOM   494  N N   . ILE A 1 65  ? -6.636  -4.990  -14.485 1.000 20.205 0 65  ILE A N   1 ? 
ATOM   495  C CA  . ILE A 1 65  ? -7.071  -5.817  -13.373 1.000 16.955 0 65  ILE A CA  1 ? 
ATOM   496  C C   . ILE A 1 65  ? -6.718  -7.276  -13.667 1.000 18.063 0 65  ILE A C   1 ? 
ATOM   497  O O   . ILE A 1 65  ? -6.782  -7.721  -14.805 1.000 20.810 0 65  ILE A O   1 ? 
ATOM   498  C CB  . ILE A 1 65  ? -8.581  -5.680  -13.126 1.000 18.918 0 65  ILE A CB  1 ? 
ATOM   499  C CG1 . ILE A 1 65  ? -9.020  -6.472  -11.896 1.000 23.965 0 65  ILE A CG1 1 ? 
ATOM   500  C CG2 . ILE A 1 65  ? -9.390  -6.129  -14.338 1.000 23.064 0 65  ILE A CG2 1 ? 
ATOM   501  C CD1 . ILE A 1 65  ? -8.859  -5.771  -10.575 1.000 31.992 0 65  ILE A CD1 1 ? 
ATOM   502  N N   . CYS A 1 66  ? -6.391  -8.032  -12.604 1.000 16.681 0 66  CYS A N   1 ? 
ATOM   503  C CA  . CYS A 1 66  ? -6.184  -9.474  -12.676 1.000 16.835 0 66  CYS A CA  1 ? 
ATOM   504  C C   . CYS A 1 66  ? -7.075  -10.124 -11.622 1.000 16.828 0 66  CYS A C   1 ? 
ATOM   505  O O   . CYS A 1 66  ? -7.349  -9.519  -10.590 1.000 16.642 0 66  CYS A O   1 ? 
ATOM   506  C CB  . CYS A 1 66  ? -4.744  -9.858  -12.362 1.000 16.425 0 66  CYS A CB  1 ? 
ATOM   507  S SG  . CYS A 1 66  ? -3.548  -9.137  -13.497 0.920 16.297 0 66  CYS A SG  1 ? 
ATOM   508  N N   . LYS A 1 67  ? -7.504  -11.359 -11.854 1.000 17.171 0 67  LYS A N   1 ? 
ATOM   509  C CA  . LYS A 1 67  ? -8.351  -12.066 -10.906 1.000 16.102 0 67  LYS A CA  1 ? 
ATOM   510  C C   . LYS A 1 67  ? -7.562  -12.682 -9.761  1.000 18.033 0 67  LYS A C   1 ? 
ATOM   511  O O   . LYS A 1 67  ? -8.111  -12.933 -8.690  1.000 18.608 0 67  LYS A O   1 ? 
ATOM   512  C CB  . LYS A 1 67  ? -9.179  -13.132 -11.603 1.000 19.175 0 67  LYS A CB  1 ? 
ATOM   513  C CG  . LYS A 1 67  ? -10.217 -12.512 -12.458 1.000 22.619 0 67  LYS A CG  1 ? 
ATOM   514  C CD  . LYS A 1 67  ? -11.313 -13.480 -12.786 1.000 25.603 0 67  LYS A CD  1 ? 
ATOM   515  C CE  . LYS A 1 67  ? -12.212 -12.835 -13.786 1.000 29.236 0 67  LYS A CE  1 ? 
ATOM   516  N NZ  . LYS A 1 67  ? -13.158 -13.879 -14.143 1.000 34.826 0 67  LYS A NZ  1 ? 
ATOM   517  N N   . THR A 1 68  ? -6.262  -12.969 -9.939  1.000 15.947 0 68  THR A N   1 ? 
ATOM   518  C CA  . THR A 1 68  ? -5.418  -13.365 -8.831  1.000 15.733 0 68  THR A CA  1 ? 
ATOM   519  C C   . THR A 1 68  ? -4.147  -12.531 -8.919  1.000 16.416 0 68  THR A C   1 ? 
ATOM   520  O O   . THR A 1 68  ? -3.668  -12.260 -10.018 1.000 15.987 0 68  THR A O   1 ? 
ATOM   521  C CB  . THR A 1 68  ? -5.084  -14.862 -8.795  1.000 16.389 0 68  THR A CB  1 ? 
ATOM   522  O OG1 . THR A 1 68  ? -4.258  -15.277 -9.891  1.000 15.243 0 68  THR A OG1 1 ? 
ATOM   523  C CG2 . THR A 1 68  ? -6.310  -15.767 -8.725  1.000 16.286 0 68  THR A CG2 1 ? 
ATOM   524  N N   . GLY A 1 69  ? -3.601  -12.153 -7.758  1.000 15.911 0 69  GLY A N   1 ? 
ATOM   525  C CA  . GLY A 1 69  ? -2.311  -11.520 -7.643  1.000 15.782 0 69  GLY A CA  1 ? 
ATOM   526  C C   . GLY A 1 69  ? -2.232  -10.093 -8.165  1.000 15.273 0 69  GLY A C   1 ? 
ATOM   527  O O   . GLY A 1 69  ? -1.132  -9.629  -8.387  1.000 15.374 0 69  GLY A O   1 ? 
ATOM   528  N N   . ASP A 1 70  ? -3.370  -9.392  -8.327  1.000 15.937 0 70  ASP A N   1 ? 
ATOM   529  C CA  . ASP A 1 70  ? -3.332  -8.039  -8.837  1.000 16.674 0 70  ASP A CA  1 ? 
ATOM   530  C C   . ASP A 1 70  ? -2.494  -7.150  -7.921  1.000 17.673 0 70  ASP A C   1 ? 
ATOM   531  O O   . ASP A 1 70  ? -2.646  -7.215  -6.715  1.000 18.494 0 70  ASP A O   1 ? 
ATOM   532  C CB  . ASP A 1 70  ? -4.750  -7.524  -8.957  1.000 17.362 0 70  ASP A CB  1 ? 
ATOM   533  C CG  . ASP A 1 70  ? -4.856  -6.174  -9.636  1.000 21.264 0 70  ASP A CG  1 ? 
ATOM   534  O OD1 . ASP A 1 70  ? -4.715  -6.140  -10.853 1.000 24.530 0 70  ASP A OD1 1 ? 
ATOM   535  O OD2 . ASP A 1 70  ? -5.030  -5.184  -8.874  1.000 26.164 0 70  ASP A OD2 1 ? 
ATOM   536  N N   . CYS A 1 71  ? -1.631  -6.313  -8.507  1.000 17.071 0 71  CYS A N   1 ? 
ATOM   537  C CA  . CYS A 1 71  ? -0.759  -5.432  -7.726  1.000 19.342 0 71  CYS A CA  1 ? 
ATOM   538  C C   . CYS A 1 71  ? -1.150  -3.963  -7.964  1.000 22.375 0 71  CYS A C   1 ? 
ATOM   539  O O   . CYS A 1 71  ? -0.527  -3.261  -8.765  1.000 24.213 0 71  CYS A O   1 ? 
ATOM   540  C CB  . CYS A 1 71  ? 0.707   -5.643  -8.081  1.000 18.324 0 71  CYS A CB  1 ? 
ATOM   541  S SG  . CYS A 1 71  ? 1.072   -5.298  -9.815  1.000 19.630 0 71  CYS A SG  1 ? 
ATOM   542  N N   . GLY A 1 72  ? -2.326  -3.597  -7.464  1.000 22.922 0 72  GLY A N   1 ? 
ATOM   543  C CA  . GLY A 1 72  ? -2.863  -2.253  -7.624  1.000 24.077 0 72  GLY A CA  1 ? 
ATOM   544  C C   . GLY A 1 72  ? -3.140  -1.888  -9.077  1.000 23.988 0 72  GLY A C   1 ? 
ATOM   545  O O   . GLY A 1 72  ? -2.983  -0.740  -9.470  1.000 24.930 0 72  GLY A O   1 ? 
ATOM   546  N N   . GLY A 1 73  ? -3.524  -2.869  -9.886  1.000 23.011 0 73  GLY A N   1 ? 
ATOM   547  C CA  . GLY A 1 73  ? -3.988  -2.627  -11.230 1.000 22.467 0 73  GLY A CA  1 ? 
ATOM   548  C C   . GLY A 1 73  ? -2.899  -2.361  -12.262 1.000 23.218 0 73  GLY A C   1 ? 
ATOM   549  O O   . GLY A 1 73  ? -3.216  -1.871  -13.332 1.000 26.250 0 73  GLY A O   1 ? 
ATOM   550  N N   . LEU A 1 74  ? -1.642  -2.652  -11.961 1.000 22.082 0 74  LEU A N   1 ? 
ATOM   551  C CA  . LEU A 1 74  ? -0.535  -2.330  -12.861 1.000 22.099 0 74  LEU A CA  1 ? 
ATOM   552  C C   . LEU A 1 74  ? 0.009   -3.606  -13.494 1.000 21.388 0 74  LEU A C   1 ? 
ATOM   553  O O   . LEU A 1 74  ? 0.058   -4.639  -12.834 1.000 22.179 0 74  LEU A O   1 ? 
ATOM   554  C CB  . LEU A 1 74  ? 0.599   -1.635  -12.114 1.000 24.778 0 74  LEU A CB  1 ? 
ATOM   555  C CG  . LEU A 1 74  ? 0.226   -0.306  -11.447 1.000 29.936 0 74  LEU A CG  1 ? 
ATOM   556  C CD1 . LEU A 1 74  ? 1.419   0.256   -10.734 1.000 31.557 0 74  LEU A CD1 1 ? 
ATOM   557  C CD2 . LEU A 1 74  ? -0.360  0.633   -12.447 1.000 32.424 0 74  LEU A CD2 1 ? 
ATOM   558  N N   . LEU A 1 75  ? 0.398   -3.523  -14.757 1.000 21.958 0 75  LEU A N   1 ? 
ATOM   559  C CA  . LEU A 1 75  ? 1.140   -4.589  -15.425 1.000 22.001 0 75  LEU A CA  1 ? 
ATOM   560  C C   . LEU A 1 75  ? 2.481   -4.729  -14.728 1.000 20.527 0 75  LEU A C   1 ? 
ATOM   561  O O   . LEU A 1 75  ? 2.915   -5.832  -14.393 1.000 21.962 0 75  LEU A O   1 ? 
ATOM   562  C CB  . LEU A 1 75  ? 1.306   -4.273  -16.916 1.000 23.501 0 75  LEU A CB  1 ? 
ATOM   563  C CG  . LEU A 1 75  ? 2.192   -5.225  -17.734 1.000 26.483 0 75  LEU A CG  1 ? 
ATOM   564  C CD1 . LEU A 1 75  ? 1.760   -6.691  -17.638 1.000 28.293 0 75  LEU A CD1 1 ? 
ATOM   565  C CD2 . LEU A 1 75  ? 2.239   -4.777  -19.184 1.000 28.261 0 75  LEU A CD2 1 ? 
ATOM   566  N N   . ARG A 1 76  ? 3.160   -3.597  -14.519 1.000 21.161 0 76  ARG A N   1 ? 
ATOM   567  C CA  . ARG A 1 76  ? 4.494   -3.601  -13.970 1.000 24.161 0 76  ARG A CA  1 ? 
ATOM   568  C C   . ARG A 1 76  ? 4.365   -3.342  -12.487 1.000 26.453 0 76  ARG A C   1 ? 
ATOM   569  O O   . ARG A 1 76  ? 4.218   -2.203  -12.064 1.000 26.039 0 76  ARG A O   1 ? 
ATOM   570  C CB  . ARG A 1 76  ? 5.360   -2.523  -14.669 1.000 26.410 0 76  ARG A CB  1 ? 
ATOM   571  C CG  . ARG A 1 76  ? 5.641   -2.812  -16.136 1.000 30.866 0 76  ARG A CG  1 ? 
ATOM   572  C CD  . ARG A 1 76  ? 6.176   -1.584  -16.895 1.000 36.155 0 76  ARG A CD  1 ? 
ATOM   573  N NE  . ARG A 1 76  ? 7.179   -1.948  -17.895 0.410 44.081 0 76  ARG A NE  1 ? 
ATOM   574  C CZ  . ARG A 1 76  ? 6.961   -2.036  -19.195 0.480 50.082 0 76  ARG A CZ  1 ? 
ATOM   575  N NH1 . ARG A 1 76  ? 5.730   -2.144  -19.675 0.630 53.959 0 76  ARG A NH1 1 ? 
ATOM   576  N NH2 . ARG A 1 76  ? 7.996   -2.079  -20.008 0.800 56.214 0 76  ARG A NH2 1 ? 
ATOM   577  N N   . CYS A 1 77  ? 4.434   -4.400  -11.679 1.000 22.586 0 77  CYS A N   1 ? 
ATOM   578  C CA  . CYS A 1 77  ? 4.176   -4.313  -10.256 1.000 21.830 0 77  CYS A CA  1 ? 
ATOM   579  C C   . CYS A 1 77  ? 5.279   -3.577  -9.490  1.000 27.034 0 77  CYS A C   1 ? 
ATOM   580  O O   . CYS A 1 77  ? 6.465   -3.843  -9.681  1.000 27.262 0 77  CYS A O   1 ? 
ATOM   581  C CB  . CYS A 1 77  ? 4.045   -5.709  -9.642  1.000 21.577 0 77  CYS A CB  1 ? 
ATOM   582  S SG  . CYS A 1 77  ? 2.577   -6.584  -10.240 1.000 19.879 0 77  CYS A SG  1 ? 
ATOM   583  N N   . LYS A 1 78  ? 4.862   -2.678  -8.590  1.000 24.582 0 78  LYS A N   1 ? 
ATOM   584  C CA  . LYS A 1 78  ? 5.746   -2.009  -7.650  1.000 26.261 0 78  LYS A CA  1 ? 
ATOM   585  C C   . LYS A 1 78  ? 5.507   -2.545  -6.248  1.000 28.495 0 78  LYS A C   1 ? 
ATOM   586  O O   . LYS A 1 78  ? 6.406   -2.530  -5.400  1.000 35.300 0 78  LYS A O   1 ? 
ATOM   587  C CB  . LYS A 1 78  ? 5.557   -0.492  -7.821  1.000 32.593 0 78  LYS A CB  1 ? 
ATOM   588  C CG  . LYS A 1 78  ? 6.160   0.401   -6.736  0.470 39.255 0 78  LYS A CG  1 ? 
ATOM   589  C CD  . LYS A 1 78  ? 5.159   1.264   -5.973  0.430 45.474 0 78  LYS A CD  1 ? 
ATOM   590  C CE  . LYS A 1 78  ? 5.643   1.716   -4.621  0.730 51.732 0 78  LYS A CE  1 ? 
ATOM   591  N NZ  . LYS A 1 78  ? 5.130   0.849   -3.553  0.960 58.511 0 78  LYS A NZ  1 ? 
ATOM   592  N N   . ARG A 1 79  ? 4.318   -3.099  -6.005  1.000 23.475 0 79  ARG A N   1 ? 
ATOM   593  C CA  . ARG A 1 79  ? 3.993   -3.646  -4.709  1.000 24.367 0 79  ARG A CA  1 ? 
ATOM   594  C C   . ARG A 1 79  ? 3.580   -5.112  -4.845  1.000 22.944 0 79  ARG A C   1 ? 
ATOM   595  O O   . ARG A 1 79  ? 3.483   -5.626  -5.943  1.000 20.967 0 79  ARG A O   1 ? 
ATOM   596  C CB  . ARG A 1 79  ? 2.861   -2.824  -4.082  1.000 28.198 0 79  ARG A CB  1 ? 
ATOM   597  C CG  . ARG A 1 79  ? 1.517   -2.913  -4.783  1.000 35.044 0 79  ARG A CG  1 ? 
ATOM   598  C CD  . ARG A 1 79  ? 0.333   -2.545  -3.880  0.390 40.709 0 79  ARG A CD  1 ? 
ATOM   599  N NE  . ARG A 1 79  ? -0.813  -3.382  -4.258  0.470 44.166 0 79  ARG A NE  1 ? 
ATOM   600  C CZ  . ARG A 1 79  ? -1.268  -4.396  -3.533  0.250 46.415 0 79  ARG A CZ  1 ? 
ATOM   601  N NH1 . ARG A 1 79  ? -0.844  -4.548  -2.290  0.440 50.483 0 79  ARG A NH1 1 ? 
ATOM   602  N NH2 . ARG A 1 79  ? -2.157  -5.233  -4.047  1.000 49.457 0 79  ARG A NH2 1 ? 
ATOM   603  N N   . PHE A 1 80  ? 3.358   -5.763  -3.707  1.000 20.324 0 80  PHE A N   1 ? 
ATOM   604  C CA  . PHE A 1 80  ? 2.945   -7.159  -3.701  1.000 18.633 0 80  PHE A CA  1 ? 
ATOM   605  C C   . PHE A 1 80  ? 1.498   -7.292  -4.137  1.000 19.368 0 80  PHE A C   1 ? 
ATOM   606  O O   . PHE A 1 80  ? 0.722   -6.335  -4.165  1.000 21.796 0 80  PHE A O   1 ? 
ATOM   607  C CB  . PHE A 1 80  ? 3.143   -7.736  -2.319  1.000 18.170 0 80  PHE A CB  1 ? 
ATOM   608  C CG  . PHE A 1 80  ? 4.582   -7.868  -1.899  1.000 18.337 0 80  PHE A CG  1 ? 
ATOM   609  C CD1 . PHE A 1 80  ? 5.582   -8.206  -2.810  1.000 22.170 0 80  PHE A CD1 1 ? 
ATOM   610  C CD2 . PHE A 1 80  ? 4.919   -7.603  -0.589  1.000 21.498 0 80  PHE A CD2 1 ? 
ATOM   611  C CE1 . PHE A 1 80  ? 6.896   -8.306  -2.382  1.000 22.163 0 80  PHE A CE1 1 ? 
ATOM   612  C CE2 . PHE A 1 80  ? 6.222   -7.720  -0.169  1.000 22.516 0 80  PHE A CE2 1 ? 
ATOM   613  C CZ  . PHE A 1 80  ? 7.199   -8.047  -1.081  1.000 22.517 0 80  PHE A CZ  1 ? 
ATOM   614  N N   . GLY A 1 81  ? 1.175   -8.519  -4.520  1.000 18.841 0 81  GLY A N   1 ? 
ATOM   615  C CA  . GLY A 1 81  ? -0.104  -8.789  -5.169  1.000 17.265 0 81  GLY A CA  1 ? 
ATOM   616  C C   . GLY A 1 81  ? -1.171  -9.272  -4.186  1.000 16.452 0 81  GLY A C   1 ? 
ATOM   617  O O   . GLY A 1 81  ? -0.878  -9.741  -3.109  1.000 18.217 0 81  GLY A O   1 ? 
ATOM   618  N N   . ARG A 1 82  ? -2.430  -9.109  -4.610  1.000 16.578 0 82  ARG A N   1 ? 
ATOM   619  C CA  . ARG A 1 82  ? -3.558  -9.531  -3.796  1.000 16.811 0 82  ARG A CA  1 ? 
ATOM   620  C C   . ARG A 1 82  ? -3.640  -11.053 -3.782  1.000 16.188 0 82  ARG A C   1 ? 
ATOM   621  O O   . ARG A 1 82  ? -3.635  -11.690 -4.838  1.000 16.313 0 82  ARG A O   1 ? 
ATOM   622  C CB  . ARG A 1 82  ? -4.838  -8.986  -4.434  1.000 19.748 0 82  ARG A CB  1 ? 
ATOM   623  C CG  . ARG A 1 82  ? -6.126  -9.224  -3.654  1.000 26.545 0 82  ARG A CG  1 ? 
ATOM   624  C CD  . ARG A 1 82  ? -7.250  -8.302  -4.245  1.000 28.828 0 82  ARG A CD  1 ? 
ATOM   625  N NE  . ARG A 1 82  ? -8.495  -8.307  -3.477  0.700 36.060 0 82  ARG A NE  1 ? 
ATOM   626  C CZ  . ARG A 1 82  ? -9.455  -9.213  -3.529  1.000 33.848 0 82  ARG A CZ  1 ? 
ATOM   627  N NH1 . ARG A 1 82  ? -9.438  -10.134 -4.485  0.720 33.374 0 82  ARG A NH1 1 ? 
ATOM   628  N NH2 . ARG A 1 82  ? -10.376 -9.275  -2.585  0.430 29.179 0 82  ARG A NH2 1 ? 
ATOM   629  N N   . PRO A 1 83  ? -3.831  -11.700 -2.610  1.000 14.984 0 83  PRO A N   1 ? 
ATOM   630  C CA  . PRO A 1 83  ? -4.032  -13.132 -2.539  1.000 15.244 0 83  PRO A CA  1 ? 
ATOM   631  C C   . PRO A 1 83  ? -5.253  -13.541 -3.326  1.000 15.510 0 83  PRO A C   1 ? 
ATOM   632  O O   . PRO A 1 83  ? -6.192  -12.759 -3.497  1.000 16.862 0 83  PRO A O   1 ? 
ATOM   633  C CB  . PRO A 1 83  ? -4.187  -13.485 -1.050  1.000 16.178 0 83  PRO A CB  1 ? 
ATOM   634  C CG  . PRO A 1 83  ? -3.646  -12.282 -0.365  1.000 19.162 0 83  PRO A CG  1 ? 
ATOM   635  C CD  . PRO A 1 83  ? -3.745  -11.077 -1.278  1.000 17.738 0 83  PRO A CD  1 ? 
ATOM   636  N N   . PRO A 1 84  ? -5.326  -14.784 -3.791  1.000 14.541 0 84  PRO A N   1 ? 
ATOM   637  C CA  . PRO A 1 84  ? -4.351  -15.837 -3.529  1.000 14.213 0 84  PRO A CA  1 ? 
ATOM   638  C C   . PRO A 1 84  ? -3.197  -15.839 -4.511  1.000 14.425 0 84  PRO A C   1 ? 
ATOM   639  O O   . PRO A 1 84  ? -3.412  -15.715 -5.716  1.000 15.516 0 84  PRO A O   1 ? 
ATOM   640  C CB  . PRO A 1 84  ? -5.169  -17.107 -3.660  1.000 16.409 0 84  PRO A CB  1 ? 
ATOM   641  C CG  . PRO A 1 84  ? -6.207  -16.759 -4.709  1.000 18.549 0 84  PRO A CG  1 ? 
ATOM   642  C CD  . PRO A 1 84  ? -6.511  -15.307 -4.488  1.000 17.911 0 84  PRO A CD  1 ? 
ATOM   643  N N   . THR A 1 85  ? -1.993  -16.027 -4.001  1.000 14.057 0 85  THR A N   1 ? 
ATOM   644  C CA  . THR A 1 85  ? -0.768  -16.026 -4.803  1.000 12.656 0 85  THR A CA  1 ? 
ATOM   645  C C   . THR A 1 85  ? 0.194   -17.045 -4.236  1.000 13.247 0 85  THR A C   1 ? 
ATOM   646  O O   . THR A 1 85  ? 0.715   -16.843 -3.142  1.000 14.895 0 85  THR A O   1 ? 
ATOM   647  C CB  . THR A 1 85  ? -0.068  -14.671 -4.801  1.000 14.877 0 85  THR A CB  1 ? 
ATOM   648  O OG1 . THR A 1 85  ? 0.152   -14.309 -3.433  1.000 17.465 0 85  THR A OG1 1 ? 
ATOM   649  C CG2 . THR A 1 85  ? -0.796  -13.592 -5.567  1.000 16.616 0 85  THR A CG2 1 ? 
ATOM   650  N N   . THR A 1 86  ? 0.573   -18.053 -5.017  1.000 12.377 0 86  THR A N   1 ? 
ATOM   651  C CA  . THR A 1 86  ? 1.710   -18.892 -4.656  1.000 13.333 0 86  THR A CA  1 ? 
ATOM   652  C C   . THR A 1 86  ? 2.954   -18.007 -4.756  1.000 13.425 0 86  THR A C   1 ? 
ATOM   653  O O   . THR A 1 86  ? 3.054   -17.268 -5.724  1.000 15.405 0 86  THR A O   1 ? 
ATOM   654  C CB  . THR A 1 86  ? 1.825   -20.069 -5.619  1.000 13.586 0 86  THR A CB  1 ? 
ATOM   655  O OG1 . THR A 1 86  ? 0.537   -20.579 -5.940  1.000 13.981 0 86  THR A OG1 1 ? 
ATOM   656  C CG2 . THR A 1 86  ? 2.736   -21.158 -5.110  1.000 15.452 0 86  THR A CG2 1 ? 
ATOM   657  N N   . LEU A 1 87  ? 3.829   -18.004 -3.753  1.000 13.184 0 87  LEU A N   1 ? 
ATOM   658  C CA  . LEU A 1 87  ? 4.953   -17.076 -3.771  1.000 12.931 0 87  LEU A CA  1 ? 
ATOM   659  C C   . LEU A 1 87  ? 6.296   -17.782 -3.827  1.000 13.371 0 87  LEU A C   1 ? 
ATOM   660  O O   . LEU A 1 87  ? 6.566   -18.667 -3.011  1.000 14.208 0 87  LEU A O   1 ? 
ATOM   661  C CB  . LEU A 1 87  ? 4.894   -16.227 -2.492  1.000 14.045 0 87  LEU A CB  1 ? 
ATOM   662  C CG  . LEU A 1 87  ? 3.728   -15.248 -2.402  1.000 15.362 0 87  LEU A CG  1 ? 
ATOM   663  C CD1 . LEU A 1 87  ? 3.668   -14.703 -0.995  1.000 18.575 0 87  LEU A CD1 1 ? 
ATOM   664  C CD2 . LEU A 1 87  ? 3.768   -14.142 -3.444  1.000 17.518 0 87  LEU A CD2 1 ? 
ATOM   665  N N   . ALA A 1 88  ? 7.192   -17.299 -4.723  1.000 13.451 0 88  ALA A N   1 ? 
ATOM   666  C CA  . ALA A 1 88  ? 8.609   -17.602 -4.679  1.000 13.589 0 88  ALA A CA  1 ? 
ATOM   667  C C   . ALA A 1 88  ? 9.274   -16.433 -3.949  1.000 14.192 0 88  ALA A C   1 ? 
ATOM   668  O O   . ALA A 1 88  ? 9.097   -15.287 -4.345  1.000 16.802 0 88  ALA A O   1 ? 
ATOM   669  C CB  . ALA A 1 88  ? 9.128   -17.733 -6.054  1.000 15.663 0 88  ALA A CB  1 ? 
ATOM   670  N N   . GLU A 1 89  ? 9.952   -16.732 -2.839  1.000 13.463 0 89  GLU A N   1 ? 
ATOM   671  C CA  . GLU A 1 89  ? 10.466  -15.685 -1.989  1.000 13.502 0 89  GLU A CA  1 ? 
ATOM   672  C C   . GLU A 1 89  ? 11.976  -15.867 -1.857  1.000 14.067 0 89  GLU A C   1 ? 
ATOM   673  O O   . GLU A 1 89  ? 12.470  -16.997 -1.773  1.000 15.341 0 89  GLU A O   1 ? 
ATOM   674  C CB  . GLU A 1 89  ? 9.871   -15.824 -0.588  1.000 15.244 0 89  GLU A CB  1 ? 
ATOM   675  C CG  . GLU A 1 89  ? 8.348   -15.797 -0.569  1.000 15.063 0 89  GLU A CG  1 ? 
ATOM   676  C CD  . GLU A 1 89  ? 7.799   -15.851 0.846   1.000 16.437 0 89  GLU A CD  1 ? 
ATOM   677  O OE1 . GLU A 1 89  ? 8.164   -16.744 1.637   1.000 16.863 0 89  GLU A OE1 1 ? 
ATOM   678  O OE2 . GLU A 1 89  ? 6.896   -15.012 1.046   1.000 19.279 0 89  GLU A OE2 1 ? 
ATOM   679  N N   . PHE A 1 90  ? 12.681  -14.727 -1.845  1.000 15.353 0 90  PHE A N   1 ? 
ATOM   680  C CA  . PHE A 1 90  ? 14.125  -14.811 -1.804  1.000 16.303 0 90  PHE A CA  1 ? 
ATOM   681  C C   . PHE A 1 90  ? 14.739  -13.590 -1.142  1.000 16.091 0 90  PHE A C   1 ? 
ATOM   682  O O   . PHE A 1 90  ? 14.251  -12.453 -1.235  1.000 17.892 0 90  PHE A O   1 ? 
ATOM   683  C CB  . PHE A 1 90  ? 14.717  -15.012 -3.200  1.000 16.084 0 90  PHE A CB  1 ? 
ATOM   684  C CG  . PHE A 1 90  ? 14.156  -14.062 -4.238  1.000 16.212 0 90  PHE A CG  1 ? 
ATOM   685  C CD1 . PHE A 1 90  ? 12.967  -14.364 -4.883  1.000 19.144 0 90  PHE A CD1 1 ? 
ATOM   686  C CD2 . PHE A 1 90  ? 14.740  -12.848 -4.511  1.000 20.138 0 90  PHE A CD2 1 ? 
ATOM   687  C CE1 . PHE A 1 90  ? 12.411  -13.502 -5.804  1.000 19.541 0 90  PHE A CE1 1 ? 
ATOM   688  C CE2 . PHE A 1 90  ? 14.173  -11.996 -5.428  1.000 19.622 0 90  PHE A CE2 1 ? 
ATOM   689  C CZ  . PHE A 1 90  ? 13.009  -12.329 -6.084  1.000 19.436 0 90  PHE A CZ  1 ? 
ATOM   690  N N   . SER A 1 91  ? 15.868  -13.879 -0.483  1.000 17.521 0 91  SER A N   1 ? 
ATOM   691  C CA  . SER A 1 91  ? 16.751  -12.823 -0.007  1.000 18.042 0 91  SER A CA  1 ? 
ATOM   692  C C   . SER A 1 91  ? 18.170  -13.182 -0.437  1.000 16.682 0 91  SER A C   1 ? 
ATOM   693  O O   . SER A 1 91  ? 18.583  -14.296 -0.197  1.000 19.703 0 91  SER A O   1 ? 
ATOM   694  C CB  . SER A 1 91  ? 16.582  -12.673 1.501   1.000 21.915 0 91  SER A CB  1 ? 
ATOM   695  O OG  . SER A 1 91  ? 15.299  -12.164 1.868   1.000 22.325 0 91  SER A OG  1 ? 
ATOM   696  N N   . LEU A 1 92  ? 18.835  -12.259 -1.132  1.000 17.876 0 92  LEU A N   1 ? 
ATOM   697  C CA  . LEU A 1 92  ? 20.110  -12.566 -1.778  1.000 18.023 0 92  LEU A CA  1 ? 
ATOM   698  C C   . LEU A 1 92  ? 21.281  -11.893 -1.038  1.000 18.958 0 92  LEU A C   1 ? 
ATOM   699  O O   . LEU A 1 92  ? 21.157  -10.787 -0.541  1.000 22.359 0 92  LEU A O   1 ? 
ATOM   700  C CB  . LEU A 1 92  ? 20.036  -12.092 -3.217  1.000 18.933 0 92  LEU A CB  1 ? 
ATOM   701  C CG  . LEU A 1 92  ? 18.802  -12.539 -4.025  1.000 20.644 0 92  LEU A CG  1 ? 
ATOM   702  C CD1 . LEU A 1 92  ? 18.942  -11.898 -5.404  1.000 22.672 0 92  LEU A CD1 1 ? 
ATOM   703  C CD2 . LEU A 1 92  ? 18.654  -14.020 -4.021  1.000 20.990 0 92  LEU A CD2 1 ? 
ATOM   704  N N   . ASN A 1 93  ? 22.405  -12.604 -0.999  1.000 21.995 0 93  ASN A N   1 ? 
ATOM   705  C CA  . ASN A 1 93  ? 23.681  -12.053 -0.511  1.000 20.270 0 93  ASN A CA  1 ? 
ATOM   706  C C   . ASN A 1 93  ? 23.516  -11.559 0.923   1.000 20.748 0 93  ASN A C   1 ? 
ATOM   707  O O   . ASN A 1 93  ? 23.868  -10.423 1.245   1.000 24.461 0 93  ASN A O   1 ? 
ATOM   708  C CB  . ASN A 1 93  ? 24.199  -10.920 -1.395  1.000 21.041 0 93  ASN A CB  1 ? 
ATOM   709  C CG  . ASN A 1 93  ? 24.303  -11.310 -2.843  1.000 23.257 0 93  ASN A CG  1 ? 
ATOM   710  O OD1 . ASN A 1 93  ? 23.400  -10.943 -3.602  1.000 23.921 0 93  ASN A OD1 1 ? 
ATOM   711  N ND2 . ASN A 1 93  ? 25.303  -12.087 -3.224  1.000 25.107 0 93  ASN A ND2 1 ? 
ATOM   712  N N   . GLN A 1 94  ? 22.940  -12.424 1.750   1.000 21.946 0 94  GLN A N   1 ? 
ATOM   713  C CA  . GLN A 1 94  ? 22.764  -12.139 3.170   1.000 24.968 0 94  GLN A CA  1 ? 
ATOM   714  C C   . GLN A 1 94  ? 23.878  -12.850 3.922   1.000 20.942 0 94  GLN A C   1 ? 
ATOM   715  O O   . GLN A 1 94  ? 23.852  -14.054 4.202   1.000 21.253 0 94  GLN A O   1 ? 
ATOM   716  C CB  . GLN A 1 94  ? 21.393  -12.591 3.655   1.000 23.522 0 94  GLN A CB  1 ? 
ATOM   717  C CG  . GLN A 1 94  ? 20.248  -11.970 2.863   1.000 27.796 0 94  GLN A CG  1 ? 
ATOM   718  C CD  . GLN A 1 94  ? 20.134  -10.473 3.035   1.000 30.545 0 94  GLN A CD  1 ? 
ATOM   719  O OE1 . GLN A 1 94  ? 20.067  -9.957  4.154   1.000 37.637 0 94  GLN A OE1 1 ? 
ATOM   720  N NE2 . GLN A 1 94  ? 20.113  -9.736  1.936   1.000 31.915 0 94  GLN A NE2 1 ? 
ATOM   721  N N   . TYR A 1 95  ? 24.917  -12.080 4.259   1.000 25.163 0 95  TYR A N   1 ? 
ATOM   722  C CA  . TYR A 1 95  ? 26.081  -12.666 4.920   1.000 25.718 0 95  TYR A CA  1 ? 
ATOM   723  C C   . TYR A 1 95  ? 26.631  -13.874 4.173   1.000 25.054 0 95  TYR A C   1 ? 
ATOM   724  O O   . TYR A 1 95  ? 26.961  -14.907 4.764   1.000 26.995 0 95  TYR A O   1 ? 
ATOM   725  C CB  . TYR A 1 95  ? 25.796  -12.995 6.391   1.000 26.652 0 95  TYR A CB  1 ? 
ATOM   726  C CG  . TYR A 1 95  ? 25.318  -11.774 7.154   1.000 33.059 0 95  TYR A CG  1 ? 
ATOM   727  C CD1 . TYR A 1 95  ? 26.198  -10.775 7.569   1.000 36.500 0 95  TYR A CD1 1 ? 
ATOM   728  C CD2 . TYR A 1 95  ? 23.962  -11.589 7.397   1.000 38.700 0 95  TYR A CD2 1 ? 
ATOM   729  C CE1 . TYR A 1 95  ? 25.741  -9.650  8.240   1.000 43.563 0 95  TYR A CE1 1 ? 
ATOM   730  C CE2 . TYR A 1 95  ? 23.489  -10.460 8.047   1.000 39.109 0 95  TYR A CE2 1 ? 
ATOM   731  C CZ  . TYR A 1 95  ? 24.383  -9.496  8.484   1.000 48.237 0 95  TYR A CZ  1 ? 
ATOM   732  O OH  . TYR A 1 95  ? 23.893  -8.406  9.148   1.000 47.367 0 95  TYR A OH  1 ? 
ATOM   733  N N   . GLY A 1 96  ? 26.754  -13.732 2.841   1.000 24.884 0 96  GLY A N   1 ? 
ATOM   734  C CA  . GLY A 1 96  ? 27.409  -14.723 2.008   1.000 25.515 0 96  GLY A CA  1 ? 
ATOM   735  C C   . GLY A 1 96  ? 26.467  -15.806 1.468   1.000 26.910 0 96  GLY A C   1 ? 
ATOM   736  O O   . GLY A 1 96  ? 26.891  -16.706 0.750   1.000 24.890 0 96  GLY A O   1 ? 
ATOM   737  N N   . LYS A 1 97  ? 25.180  -15.751 1.841   1.000 23.064 0 97  LYS A N   1 ? 
ATOM   738  C CA  . LYS A 1 97  ? 24.260  -16.831 1.490   1.000 24.950 0 97  LYS A CA  1 ? 
ATOM   739  C C   . LYS A 1 97  ? 22.995  -16.234 0.859   1.000 20.791 0 97  LYS A C   1 ? 
ATOM   740  O O   . LYS A 1 97  ? 22.628  -15.092 1.120   1.000 21.396 0 97  LYS A O   1 ? 
ATOM   741  C CB  . LYS A 1 97  ? 23.858  -17.626 2.731   1.000 28.642 0 97  LYS A CB  1 ? 
ATOM   742  C CG  . LYS A 1 97  ? 24.980  -18.388 3.443   1.000 33.337 0 97  LYS A CG  1 ? 
ATOM   743  C CD  . LYS A 1 97  ? 25.458  -19.523 2.564   1.000 40.630 0 97  LYS A CD  1 ? 
ATOM   744  C CE  . LYS A 1 97  ? 26.334  -20.531 3.239   1.000 49.284 0 97  LYS A CE  1 ? 
ATOM   745  N NZ  . LYS A 1 97  ? 26.731  -21.486 2.192   1.000 55.505 0 97  LYS A NZ  1 ? 
ATOM   746  N N   . ASP A 1 98  ? 22.383  -17.000 -0.038  1.000 20.543 0 98  ASP A N   1 ? 
ATOM   747  C CA  . ASP A 1 98  ? 21.045  -16.701 -0.541  1.000 18.248 0 98  ASP A CA  1 ? 
ATOM   748  C C   . ASP A 1 98  ? 20.047  -17.629 0.157   1.000 18.082 0 98  ASP A C   1 ? 
ATOM   749  O O   . ASP A 1 98  ? 20.334  -18.779 0.464   1.000 19.591 0 98  ASP A O   1 ? 
ATOM   750  C CB  . ASP A 1 98  ? 20.945  -16.992 -2.036  1.000 18.338 0 98  ASP A CB  1 ? 
ATOM   751  C CG  . ASP A 1 98  ? 21.719  -16.104 -2.999  1.000 21.593 0 98  ASP A CG  1 ? 
ATOM   752  O OD1 . ASP A 1 98  ? 22.304  -15.069 -2.546  1.000 20.779 0 98  ASP A OD1 1 ? 
ATOM   753  O OD2 . ASP A 1 98  ? 21.698  -16.410 -4.231  1.000 21.474 0 98  ASP A OD2 1 ? 
ATOM   754  N N   . TYR A 1 99  ? 18.827  -17.130 0.388   1.000 17.982 0 99  TYR A N   1 ? 
ATOM   755  C CA  . TYR A 1 99  ? 17.775  -17.922 0.997   1.000 19.801 0 99  TYR A CA  1 ? 
ATOM   756  C C   . TYR A 1 99  ? 16.519  -17.908 0.106   1.000 17.493 0 99  TYR A C   1 ? 
ATOM   757  O O   . TYR A 1 99  ? 16.035  -16.826 -0.238  1.000 20.282 0 99  TYR A O   1 ? 
ATOM   758  C CB  . TYR A 1 99  ? 17.418  -17.275 2.323   1.000 21.630 0 99  TYR A CB  1 ? 
ATOM   759  C CG  . TYR A 1 99  ? 18.562  -17.345 3.319   1.000 23.867 0 99  TYR A CG  1 ? 
ATOM   760  C CD1 . TYR A 1 99  ? 18.803  -18.514 4.013   1.000 24.839 0 99  TYR A CD1 1 ? 
ATOM   761  C CD2 . TYR A 1 99  ? 19.434  -16.275 3.464   1.000 26.165 0 99  TYR A CD2 1 ? 
ATOM   762  C CE1 . TYR A 1 99  ? 19.878  -18.619 4.876   1.000 29.842 0 99  TYR A CE1 1 ? 
ATOM   763  C CE2 . TYR A 1 99  ? 20.518  -16.370 4.330   1.000 29.208 0 99  TYR A CE2 1 ? 
ATOM   764  C CZ  . TYR A 1 99  ? 20.726  -17.540 5.036   1.000 29.125 0 99  TYR A CZ  1 ? 
ATOM   765  O OH  . TYR A 1 99  ? 21.766  -17.637 5.926   1.000 31.106 0 99  TYR A OH  1 ? 
ATOM   766  N N   . ILE A 1 100 ? 16.039  -19.094 -0.226  1.000 17.072 0 100 ILE A N   1 ? 
ATOM   767  C CA  . ILE A 1 100 ? 14.865  -19.199 -1.097  1.000 18.133 0 100 ILE A CA  1 ? 
ATOM   768  C C   . ILE A 1 100 ? 13.819  -20.105 -0.466  1.000 17.737 0 100 ILE A C   1 ? 
ATOM   769  O O   . ILE A 1 100 ? 14.094  -20.981 0.333   1.000 18.436 0 100 ILE A O   1 ? 
ATOM   770  C CB  . ILE A 1 100 ? 15.226  -19.717 -2.494  1.000 18.417 0 100 ILE A CB  1 ? 
ATOM   771  C CG1 . ILE A 1 100 ? 15.620  -21.201 -2.483  1.000 21.449 0 100 ILE A CG1 1 ? 
ATOM   772  C CG2 . ILE A 1 100 ? 16.293  -18.821 -3.116  1.000 19.542 0 100 ILE A CG2 1 ? 
ATOM   773  C CD1 . ILE A 1 100 ? 15.745  -21.846 -3.856  1.000 23.517 0 100 ILE A CD1 1 ? 
ATOM   774  N N   . ASP A 1 101 ? 12.554  -19.827 -0.795  1.000 16.565 0 101 ASP A N   1 ? 
ATOM   775  C CA  . ASP A 1 101 ? 11.485  -20.682 -0.329  1.000 15.895 0 101 ASP A CA  1 ? 
ATOM   776  C C   . ASP A 1 101 ? 10.295  -20.462 -1.256  1.000 15.350 0 101 ASP A C   1 ? 
ATOM   777  O O   . ASP A 1 101 ? 10.230  -19.462 -1.980  1.000 15.300 0 101 ASP A O   1 ? 
ATOM   778  C CB  . ASP A 1 101 ? 11.097  -20.389 1.120   1.000 16.663 0 101 ASP A CB  1 ? 
ATOM   779  C CG  . ASP A 1 101 ? 10.474  -19.024 1.376   1.000 17.618 0 101 ASP A CG  1 ? 
ATOM   780  O OD1 . ASP A 1 101 ? 9.263   -18.842 1.078   1.000 17.198 0 101 ASP A OD1 1 ? 
ATOM   781  O OD2 . ASP A 1 101 ? 11.175  -18.074 1.743   1.000 19.959 0 101 ASP A OD2 1 ? 
ATOM   782  N N   . ILE A 1 102 ? 9.353   -21.394 -1.151  1.000 14.665 0 102 ILE A N   1 ? 
ATOM   783  C CA  . ILE A 1 102 ? 8.005   -21.188 -1.634  1.000 13.330 0 102 ILE A CA  1 ? 
ATOM   784  C C   . ILE A 1 102 ? 7.070   -21.107 -0.443  1.000 14.314 0 102 ILE A C   1 ? 
ATOM   785  O O   . ILE A 1 102 ? 7.245   -21.779 0.558   1.000 13.974 0 102 ILE A O   1 ? 
ATOM   786  C CB  . ILE A 1 102 ? 7.568   -22.296 -2.586  1.000 15.353 0 102 ILE A CB  1 ? 
ATOM   787  C CG1 . ILE A 1 102 ? 8.415   -22.227 -3.850  1.000 17.422 0 102 ILE A CG1 1 ? 
ATOM   788  C CG2 . ILE A 1 102 ? 6.080   -22.225 -2.938  1.000 18.308 0 102 ILE A CG2 1 ? 
ATOM   789  C CD1 . ILE A 1 102 ? 8.165   -23.380 -4.788  1.000 21.606 0 102 ILE A CD1 1 ? 
ATOM   790  N N   . SER A 1 103 ? 6.080   -20.230 -0.577  1.000 13.813 0 103 SER A N   1 ? 
ATOM   791  C CA  . SER A 1 103 ? 5.132   -19.971 0.493   1.000 13.662 0 103 SER A CA  1 ? 
ATOM   792  C C   . SER A 1 103 ? 3.708   -20.059 -0.021  1.000 14.319 0 103 SER A C   1 ? 
ATOM   793  O O   . SER A 1 103 ? 3.379   -19.508 -1.076  1.000 14.547 0 103 SER A O   1 ? 
ATOM   794  C CB  . SER A 1 103 ? 5.384   -18.636 1.099   1.000 13.790 0 103 SER A CB  1 ? 
ATOM   795  O OG  . SER A 1 103 ? 4.388   -18.283 2.058   1.000 15.935 0 103 SER A OG  1 ? 
ATOM   796  N N   . ASN A 1 104 ? 2.857   -20.694 0.783   1.000 13.744 0 104 ASN A N   1 ? 
ATOM   797  C CA  . ASN A 1 104 ? 1.411   -20.683 0.654   1.000 13.783 0 104 ASN A CA  1 ? 
ATOM   798  C C   . ASN A 1 104 ? 0.715   -19.858 1.744   1.000 13.335 0 104 ASN A C   1 ? 
ATOM   799  O O   . ASN A 1 104 ? -0.521  -19.921 1.909   1.000 15.006 0 104 ASN A O   1 ? 
ATOM   800  C CB  . ASN A 1 104 ? 0.833   -22.098 0.679   1.000 13.765 0 104 ASN A CB  1 ? 
ATOM   801  C CG  . ASN A 1 104 ? 1.135   -22.908 -0.566  1.000 16.115 0 104 ASN A CG  1 ? 
ATOM   802  O OD1 . ASN A 1 104 ? 1.118   -22.389 -1.680  1.000 18.154 0 104 ASN A OD1 1 ? 
ATOM   803  N ND2 . ASN A 1 104 ? 1.492   -24.148 -0.383  1.000 17.408 0 104 ASN A ND2 1 ? 
ATOM   804  N N   . ILE A 1 105 ? 1.463   -18.975 2.391   1.000 13.206 0 105 ILE A N   1 ? 
ATOM   805  C CA  . ILE A 1 105 ? 0.896   -18.165 3.477   1.000 14.254 0 105 ILE A CA  1 ? 
ATOM   806  C C   . ILE A 1 105 ? -0.130  -17.178 2.952   1.000 15.223 0 105 ILE A C   1 ? 
ATOM   807  O O   . ILE A 1 105 ? -1.057  -16.802 3.689   1.000 14.736 0 105 ILE A O   1 ? 
ATOM   808  C CB  . ILE A 1 105 ? 2.050   -17.477 4.240   1.000 15.713 0 105 ILE A CB  1 ? 
ATOM   809  C CG1 . ILE A 1 105 ? 2.835   -18.508 5.012   1.000 17.989 0 105 ILE A CG1 1 ? 
ATOM   810  C CG2 . ILE A 1 105 ? 1.559   -16.339 5.125   1.000 19.326 0 105 ILE A CG2 1 ? 
ATOM   811  C CD1 . ILE A 1 105 ? 4.073   -17.978 5.716   1.000 18.196 0 105 ILE A CD1 1 ? 
ATOM   812  N N   . LYS A 1 106 ? 0.021   -16.747 1.687   1.000 13.129 0 106 LYS A N   1 ? 
ATOM   813  C CA  . LYS A 1 106 ? -0.932  -15.891 1.003   1.000 13.106 0 106 LYS A CA  1 ? 
ATOM   814  C C   . LYS A 1 106 ? -1.716  -16.669 -0.054  1.000 13.584 0 106 LYS A C   1 ? 
ATOM   815  O O   . LYS A 1 106 ? -2.238  -16.068 -0.996  1.000 15.301 0 106 LYS A O   1 ? 
ATOM   816  C CB  . LYS A 1 106 ? -0.199  -14.708 0.358   1.000 15.316 0 106 LYS A CB  1 ? 
ATOM   817  C CG  . LYS A 1 106 ? 0.492   -13.809 1.330   1.000 20.513 0 106 LYS A CG  1 ? 
ATOM   818  C CD  . LYS A 1 106 ? -0.538  -12.964 2.064   1.000 27.938 0 106 LYS A CD  1 ? 
ATOM   819  C CE  . LYS A 1 106 ? 0.121   -11.943 2.972   1.000 35.641 0 106 LYS A CE  1 ? 
ATOM   820  N NZ  . LYS A 1 106 ? -0.892  -11.209 3.740   1.000 39.587 0 106 LYS A NZ  1 ? 
ATOM   821  N N   . GLY A 1 107 ? -1.933  -17.954 0.207   1.000 14.288 0 107 GLY A N   1 ? 
ATOM   822  C CA  . GLY A 1 107 ? -2.754  -18.787 -0.631  1.000 13.479 0 107 GLY A CA  1 ? 
ATOM   823  C C   . GLY A 1 107 ? -1.983  -19.344 -1.827  1.000 14.916 0 107 GLY A C   1 ? 
ATOM   824  O O   . GLY A 1 107 ? -0.766  -19.237 -1.925  1.000 17.008 0 107 GLY A O   1 ? 
ATOM   825  N N   . PHE A 1 108 ? -2.747  -19.917 -2.739  1.000 12.799 0 108 PHE A N   1 ? 
ATOM   826  C CA  . PHE A 1 108 ? -2.183  -20.625 -3.887  1.000 13.396 0 108 PHE A CA  1 ? 
ATOM   827  C C   . PHE A 1 108 ? -3.017  -20.262 -5.088  1.000 14.625 0 108 PHE A C   1 ? 
ATOM   828  O O   . PHE A 1 108 ? -4.239  -20.311 -5.064  1.000 14.263 0 108 PHE A O   1 ? 
ATOM   829  C CB  . PHE A 1 108 ? -2.174  -22.120 -3.597  1.000 14.193 0 108 PHE A CB  1 ? 
ATOM   830  C CG  . PHE A 1 108 ? -1.697  -23.012 -4.741  1.000 12.889 0 108 PHE A CG  1 ? 
ATOM   831  C CD1 . PHE A 1 108 ? -2.577  -23.319 -5.768  1.000 14.499 0 108 PHE A CD1 1 ? 
ATOM   832  C CD2 . PHE A 1 108 ? -0.420  -23.549 -4.759  1.000 14.578 0 108 PHE A CD2 1 ? 
ATOM   833  C CE1 . PHE A 1 108 ? -2.180  -24.126 -6.796  1.000 15.756 0 108 PHE A CE1 1 ? 
ATOM   834  C CE2 . PHE A 1 108 ? -0.036  -24.406 -5.774  1.000 16.676 0 108 PHE A CE2 1 ? 
ATOM   835  C CZ  . PHE A 1 108 ? -0.911  -24.688 -6.786  1.000 16.426 0 108 PHE A CZ  1 ? 
ATOM   836  N N   . ASN A 1 109 ? -2.374  -19.953 -6.202  1.000 13.636 0 109 ASN A N   1 ? 
ATOM   837  C CA  . ASN A 1 109 ? -3.089  -19.805 -7.463  1.000 13.314 0 109 ASN A CA  1 ? 
ATOM   838  C C   . ASN A 1 109 ? -2.535  -20.674 -8.581  1.000 15.707 0 109 ASN A C   1 ? 
ATOM   839  O O   . ASN A 1 109 ? -3.318  -21.320 -9.288  1.000 17.235 0 109 ASN A O   1 ? 
ATOM   840  C CB  . ASN A 1 109 ? -3.166  -18.356 -7.901  1.000 13.608 0 109 ASN A CB  1 ? 
ATOM   841  C CG  . ASN A 1 109 ? -1.834  -17.663 -8.151  1.000 13.910 0 109 ASN A CG  1 ? 
ATOM   842  O OD1 . ASN A 1 109 ? -0.766  -18.106 -7.694  1.000 13.122 0 109 ASN A OD1 1 ? 
ATOM   843  N ND2 . ASN A 1 109 ? -1.917  -16.574 -8.886  1.000 15.195 0 109 ASN A ND2 1 ? 
ATOM   844  N N   . VAL A 1 110 ? -1.214  -20.756 -8.709  1.000 14.300 0 110 VAL A N   1 ? 
ATOM   845  C CA  A VAL A 1 110 ? -0.576  -21.462 -9.806  0.800 14.717 0 110 VAL A CA  1 ? 
ATOM   846  C CA  B VAL A 1 110 ? -0.591  -21.475 -9.806  0.200 14.143 0 110 VAL A CA  1 ? 
ATOM   847  C C   . VAL A 1 110 ? 0.499   -22.348 -9.208  1.000 13.909 0 110 VAL A C   1 ? 
ATOM   848  O O   . VAL A 1 110 ? 1.257   -21.925 -8.325  1.000 15.455 0 110 VAL A O   1 ? 
ATOM   849  C CB  A VAL A 1 110 ? -0.013  -20.434 -10.806 0.800 17.075 0 110 VAL A CB  1 ? 
ATOM   850  C CB  B VAL A 1 110 ? -0.024  -20.550 -10.901 0.200 14.086 0 110 VAL A CB  1 ? 
ATOM   851  C CG1 A VAL A 1 110 ? 0.974   -21.037 -11.783 0.800 19.553 0 110 VAL A CG1 1 ? 
ATOM   852  C CG1 B VAL A 1 110 ? 1.290   -19.898 -10.481 0.200 13.391 0 110 VAL A CG1 1 ? 
ATOM   853  C CG2 A VAL A 1 110 ? -1.102  -19.630 -11.510 0.800 16.392 0 110 VAL A CG2 1 ? 
ATOM   854  C CG2 B VAL A 1 110 ? 0.169   -21.272 -12.224 0.200 14.882 0 110 VAL A CG2 1 ? 
ATOM   855  N N   . PRO A 1 111 ? 0.676   -23.595 -9.667  1.000 13.714 0 111 PRO A N   1 ? 
ATOM   856  C CA  . PRO A 1 111 ? 1.759   -24.445 -9.197  1.000 14.678 0 111 PRO A CA  1 ? 
ATOM   857  C C   . PRO A 1 111 ? 3.111   -23.905 -9.665  1.000 14.806 0 111 PRO A C   1 ? 
ATOM   858  O O   . PRO A 1 111 ? 3.190   -23.229 -10.698 1.000 14.359 0 111 PRO A O   1 ? 
ATOM   859  C CB  . PRO A 1 111 ? 1.461   -25.807 -9.785  1.000 16.371 0 111 PRO A CB  1 ? 
ATOM   860  C CG  . PRO A 1 111 ? 0.578   -25.483 -10.946 1.000 16.918 0 111 PRO A CG  1 ? 
ATOM   861  C CD  . PRO A 1 111 ? -0.173  -24.211 -10.696 1.000 14.813 0 111 PRO A CD  1 ? 
ATOM   862  N N   . MET A 1 112 ? 4.145   -24.202 -8.890  1.000 14.951 0 112 MET A N   1 ? 
ATOM   863  C CA  . MET A 1 112 ? 5.421   -23.526 -9.065  1.000 15.497 0 112 MET A CA  1 ? 
ATOM   864  C C   . MET A 1 112 ? 6.570   -24.427 -8.654  1.000 15.014 0 112 MET A C   1 ? 
ATOM   865  O O   . MET A 1 112 ? 6.486   -25.124 -7.662  1.000 16.323 0 112 MET A O   1 ? 
ATOM   866  C CB  . MET A 1 112 ? 5.415   -22.260 -8.180  1.000 19.853 0 112 MET A CB  1 ? 
ATOM   867  C CG  . MET A 1 112 ? 6.686   -21.458 -8.186  1.000 25.327 0 112 MET A CG  1 ? 
ATOM   868  S SD  . MET A 1 112 ? 6.507   -20.250 -6.859  1.000 22.632 0 112 MET A SD  1 ? 
ATOM   869  C CE  . MET A 1 112 ? 5.429   -19.095 -7.698  1.000 23.827 0 112 MET A CE  1 ? 
ATOM   870  N N   . ASP A 1 113 ? 7.674   -24.355 -9.409  1.000 15.147 0 113 ASP A N   1 ? 
ATOM   871  C CA  . ASP A 1 113 ? 8.988   -24.868 -9.058  1.000 15.583 0 113 ASP A CA  1 ? 
ATOM   872  C C   . ASP A 1 113 ? 9.941   -23.681 -8.951  1.000 14.237 0 113 ASP A C   1 ? 
ATOM   873  O O   . ASP A 1 113 ? 9.911   -22.788 -9.814  1.000 15.698 0 113 ASP A O   1 ? 
ATOM   874  C CB  . ASP A 1 113 ? 9.508   -25.819 -10.116 1.000 16.613 0 113 ASP A CB  1 ? 
ATOM   875  C CG  . ASP A 1 113 ? 10.841  -26.458 -9.738  1.000 20.553 0 113 ASP A CG  1 ? 
ATOM   876  O OD1 . ASP A 1 113 ? 10.835  -27.546 -9.146  1.000 20.130 0 113 ASP A OD1 1 ? 
ATOM   877  O OD2 . ASP A 1 113 ? 11.869  -25.819 -10.031 1.000 20.578 0 113 ASP A OD2 1 ? 
ATOM   878  N N   . PHE A 1 114 ? 10.799  -23.668 -7.925  1.000 14.954 0 114 PHE A N   1 ? 
ATOM   879  C CA  . PHE A 1 114 ? 11.766  -22.618 -7.735  1.000 15.237 0 114 PHE A CA  1 ? 
ATOM   880  C C   . PHE A 1 114 ? 13.111  -23.278 -7.489  1.000 16.760 0 114 PHE A C   1 ? 
ATOM   881  O O   . PHE A 1 114 ? 13.273  -23.905 -6.454  1.000 18.179 0 114 PHE A O   1 ? 
ATOM   882  C CB  . PHE A 1 114 ? 11.292  -21.735 -6.576  1.000 14.528 0 114 PHE A CB  1 ? 
ATOM   883  C CG  . PHE A 1 114 ? 12.116  -20.506 -6.269  1.000 15.642 0 114 PHE A CG  1 ? 
ATOM   884  C CD1 . PHE A 1 114 ? 13.100  -20.028 -7.141  1.000 17.327 0 114 PHE A CD1 1 ? 
ATOM   885  C CD2 . PHE A 1 114 ? 11.912  -19.800 -5.088  1.000 16.402 0 114 PHE A CD2 1 ? 
ATOM   886  C CE1 . PHE A 1 114 ? 13.835  -18.873 -6.856  1.000 17.705 0 114 PHE A CE1 1 ? 
ATOM   887  C CE2 . PHE A 1 114 ? 12.654  -18.677 -4.808  1.000 17.710 0 114 PHE A CE2 1 ? 
ATOM   888  C CZ  . PHE A 1 114 ? 13.572  -18.167 -5.720  1.000 17.339 0 114 PHE A CZ  1 ? 
ATOM   889  N N   . SER A 1 115 ? 13.986  -23.230 -8.499  1.000 16.013 0 115 SER A N   1 ? 
ATOM   890  C CA  . SER A 1 115 ? 15.208  -24.020 -8.455  1.000 17.902 0 115 SER A CA  1 ? 
ATOM   891  C C   . SER A 1 115 ? 16.383  -23.130 -8.830  1.000 17.264 0 115 SER A C   1 ? 
ATOM   892  O O   . SER A 1 115 ? 16.309  -22.218 -9.648  1.000 19.058 0 115 SER A O   1 ? 
ATOM   893  C CB  . SER A 1 115 ? 15.158  -25.208 -9.382  1.000 19.099 0 115 SER A CB  1 ? 
ATOM   894  O OG  . SER A 1 115 ? 14.221  -26.175 -8.950  1.000 20.891 0 115 SER A OG  1 ? 
ATOM   895  N N   . PRO A 1 116 ? 17.563  -23.404 -8.238  1.000 18.888 0 116 PRO A N   1 ? 
ATOM   896  C CA  . PRO A 1 116 ? 18.780  -22.776 -8.731  1.000 18.936 0 116 PRO A CA  1 ? 
ATOM   897  C C   . PRO A 1 116 ? 19.147  -23.347 -10.095 1.000 21.312 0 116 PRO A C   1 ? 
ATOM   898  O O   . PRO A 1 116 ? 18.857  -24.521 -10.357 1.000 22.713 0 116 PRO A O   1 ? 
ATOM   899  C CB  . PRO A 1 116 ? 19.765  -23.198 -7.624  1.000 20.791 0 116 PRO A CB  1 ? 
ATOM   900  C CG  . PRO A 1 116 ? 19.313  -24.530 -7.223  1.000 21.563 0 116 PRO A CG  1 ? 
ATOM   901  C CD  . PRO A 1 116 ? 17.772  -24.369 -7.146  1.000 19.845 0 116 PRO A CD  1 ? 
ATOM   902  N N   . THR A 1 117 ? 19.797  -22.501 -10.903 1.000 22.053 0 117 THR A N   1 ? 
ATOM   903  C CA  . THR A 1 117 ? 20.422  -22.937 -12.158 1.000 22.576 0 117 THR A CA  1 ? 
ATOM   904  C C   . THR A 1 117 ? 21.926  -23.055 -12.031 1.000 27.731 0 117 THR A C   1 ? 
ATOM   905  O O   . THR A 1 117 ? 22.556  -23.425 -13.013 1.000 28.405 0 117 THR A O   1 ? 
ATOM   906  C CB  . THR A 1 117 ? 20.082  -21.960 -13.260 1.000 22.296 0 117 THR A CB  1 ? 
ATOM   907  O OG1 . THR A 1 117 ? 20.523  -20.656 -12.905 1.000 24.123 0 117 THR A OG1 1 ? 
ATOM   908  C CG2 . THR A 1 117 ? 18.594  -21.982 -13.547 1.000 22.565 0 117 THR A CG2 1 ? 
ATOM   909  N N   . THR A 1 118 ? 22.459  -22.689 -10.862 1.000 26.194 0 118 THR A N   1 ? 
ATOM   910  C CA  . THR A 1 118 ? 23.882  -22.818 -10.530 1.000 27.952 0 118 THR A CA  1 ? 
ATOM   911  C C   . THR A 1 118 ? 24.024  -23.887 -9.443  1.000 28.962 0 118 THR A C   1 ? 
ATOM   912  O O   . THR A 1 118 ? 23.044  -24.408 -8.892  1.000 29.604 0 118 THR A O   1 ? 
ATOM   913  C CB  . THR A 1 118 ? 24.447  -21.457 -10.119 1.000 27.753 0 118 THR A CB  1 ? 
ATOM   914  O OG1 . THR A 1 118 ? 23.642  -20.895 -9.080  1.000 26.842 0 118 THR A OG1 1 ? 
ATOM   915  C CG2 . THR A 1 118 ? 24.481  -20.474 -11.275 1.000 33.192 0 118 THR A CG2 1 ? 
ATOM   916  N N   . ARG A 1 119 ? 25.270  -24.187 -9.067  1.000 30.962 0 119 ARG A N   1 ? 
ATOM   917  C CA  . ARG A 1 119 ? 25.550  -25.337 -8.231  1.000 34.712 0 119 ARG A CA  1 ? 
ATOM   918  C C   . ARG A 1 119 ? 25.332  -24.999 -6.758  1.000 32.212 0 119 ARG A C   1 ? 
ATOM   919  O O   . ARG A 1 119 ? 25.453  -23.838 -6.366  1.000 35.782 0 119 ARG A O   1 ? 
ATOM   920  C CB  . ARG A 1 119 ? 27.003  -25.815 -8.424  1.000 40.969 0 119 ARG A CB  1 ? 
ATOM   921  C CG  . ARG A 1 119 ? 27.260  -26.624 -9.688  0.300 46.128 0 119 ARG A CG  1 ? 
ATOM   922  C CD  . ARG A 1 119 ? 28.523  -27.497 -9.620  0.600 52.804 0 119 ARG A CD  1 ? 
ATOM   923  N NE  . ARG A 1 119 ? 29.781  -26.768 -9.421  0.580 56.998 0 119 ARG A NE  1 ? 
ATOM   924  C CZ  . ARG A 1 119 ? 30.235  -25.784 -10.191 0.260 57.185 0 119 ARG A CZ  1 ? 
ATOM   925  N NH1 . ARG A 1 119 ? 29.483  -25.281 -11.159 0.700 58.374 0 119 ARG A NH1 1 ? 
ATOM   926  N NH2 . ARG A 1 119 ? 31.441  -25.293 -9.965  0.370 56.705 0 119 ARG A NH2 1 ? 
ATOM   927  N N   . GLY A 1 120 ? 24.985  -26.019 -5.958  1.000 32.743 0 120 GLY A N   1 ? 
ATOM   928  C CA  . GLY A 1 120 ? 25.238  -25.986 -4.522  1.000 34.364 0 120 GLY A CA  1 ? 
ATOM   929  C C   . GLY A 1 120 ? 24.018  -25.959 -3.593  1.000 33.634 0 120 GLY A C   1 ? 
ATOM   930  O O   . GLY A 1 120 ? 24.204  -25.742 -2.403  1.000 32.620 0 120 GLY A O   1 ? 
ATOM   931  N N   . CYS A 1 121 ? 22.790  -26.159 -4.104  1.000 28.510 0 121 CYS A N   1 ? 
ATOM   932  C CA  . CYS A 1 121 ? 21.607  -26.305 -3.272  1.000 26.947 0 121 CYS A CA  1 ? 
ATOM   933  C C   . CYS A 1 121 ? 20.510  -26.957 -4.129  1.000 28.041 0 121 CYS A C   1 ? 
ATOM   934  O O   . CYS A 1 121 ? 20.670  -27.103 -5.334  1.000 32.799 0 121 CYS A O   1 ? 
ATOM   935  C CB  . CYS A 1 121 ? 21.156  -24.958 -2.712  1.000 25.656 0 121 CYS A CB  1 ? 
ATOM   936  S SG  . CYS A 1 121 ? 21.064  -23.691 -4.002  1.000 26.477 0 121 CYS A SG  1 ? 
ATOM   937  N N   . ARG A 1 122 ? 19.405  -27.287 -3.489  1.000 28.938 0 122 ARG A N   1 ? 
ATOM   938  C CA  A ARG A 1 122 ? 18.269  -27.967 -4.087  0.450 30.164 0 122 ARG A CA  1 ? 
ATOM   939  C CA  B ARG A 1 122 ? 18.277  -27.964 -4.110  0.550 31.683 0 122 ARG A CA  1 ? 
ATOM   940  C C   . ARG A 1 122 ? 17.191  -26.929 -4.390  1.000 24.210 0 122 ARG A C   1 ? 
ATOM   941  O O   . ARG A 1 122 ? 17.256  -25.797 -3.893  1.000 27.534 0 122 ARG A O   1 ? 
ATOM   942  C CB  A ARG A 1 122 ? 17.758  -28.994 -3.067  0.450 32.473 0 122 ARG A CB  1 ? 
ATOM   943  C CB  B ARG A 1 122 ? 17.684  -29.041 -3.190  0.550 36.368 0 122 ARG A CB  1 ? 
ATOM   944  C CG  A ARG A 1 122 ? 17.079  -28.419 -1.829  0.450 34.354 0 122 ARG A CG  1 ? 
ATOM   945  C CG  B ARG A 1 122 ? 16.784  -28.559 -2.058  0.550 39.721 0 122 ARG A CG  1 ? 
ATOM   946  C CD  A ARG A 1 122 ? 17.179  -29.348 -0.612  0.450 36.941 0 122 ARG A CD  1 ? 
ATOM   947  C CD  B ARG A 1 122 ? 15.989  -29.710 -1.436  0.550 44.395 0 122 ARG A CD  1 ? 
ATOM   948  N NE  A ARG A 1 122 ? 16.636  -28.770 0.624   0.450 39.868 0 122 ARG A NE  1 ? 
ATOM   949  N NE  B ARG A 1 122 ? 15.178  -29.327 -0.271  0.550 46.163 0 122 ARG A NE  1 ? 
ATOM   950  C CZ  A ARG A 1 122 ? 17.376  -28.285 1.619   0.450 40.862 0 122 ARG A CZ  1 ? 
ATOM   951  C CZ  B ARG A 1 122 ? 13.845  -29.386 -0.169  0.550 43.667 0 122 ARG A CZ  1 ? 
ATOM   952  N NH1 A ARG A 1 122 ? 18.691  -28.315 1.532   0.450 42.710 0 122 ARG A NH1 1 ? 
ATOM   953  N NH1 B ARG A 1 122 ? 13.093  -29.630 -1.228  0.550 41.690 0 122 ARG A NH1 1 ? 
ATOM   954  N NH2 A ARG A 1 122 ? 16.811  -27.752 2.688   0.450 41.291 0 122 ARG A NH2 1 ? 
ATOM   955  N NH2 B ARG A 1 122 ? 13.260  -29.159 0.994   0.550 43.116 0 122 ARG A NH2 1 ? 
ATOM   956  N N   . GLY A 1 123 ? 16.246  -27.295 -5.230  1.000 23.748 0 123 GLY A N   1 ? 
ATOM   957  C CA  . GLY A 1 123 ? 15.093  -26.446 -5.452  1.000 21.065 0 123 GLY A CA  1 ? 
ATOM   958  C C   . GLY A 1 123 ? 13.922  -26.908 -4.590  1.000 22.254 0 123 GLY A C   1 ? 
ATOM   959  O O   . GLY A 1 123 ? 13.975  -27.944 -3.914  1.000 23.278 0 123 GLY A O   1 ? 
ATOM   960  N N   . VAL A 1 124 ? 12.842  -26.134 -4.655  1.000 21.373 0 124 VAL A N   1 ? 
ATOM   961  C CA  A VAL A 1 124 ? 11.614  -26.482 -3.948  1.000 22.565 0 124 VAL A CA  1 ? 
ATOM   962  C CA  B VAL A 1 124 ? 11.622  -26.373 -3.959  0.000 23.080 0 124 VAL A CA  1 ? 
ATOM   963  C C   . VAL A 1 124 ? 10.462  -26.396 -4.941  1.000 21.313 0 124 VAL A C   1 ? 
ATOM   964  O O   . VAL A 1 124 ? 10.524  -25.664 -5.929  1.000 18.928 0 124 VAL A O   1 ? 
ATOM   965  C CB  A VAL A 1 124 ? 11.362  -25.591 -2.722  1.000 25.913 0 124 VAL A CB  1 ? 
ATOM   966  C CB  B VAL A 1 124 ? 11.362  -25.412 -2.783  0.000 25.710 0 124 VAL A CB  1 ? 
ATOM   967  C CG1 A VAL A 1 124 ? 12.261  -26.014 -1.558  1.000 30.306 0 124 VAL A CG1 1 ? 
ATOM   968  C CG1 B VAL A 1 124 ? 11.943  -25.941 -1.477  0.000 30.770 0 124 VAL A CG1 1 ? 
ATOM   969  C CG2 A VAL A 1 124 ? 11.542  -24.123 -3.043  1.000 28.862 0 124 VAL A CG2 1 ? 
ATOM   970  C CG2 B VAL A 1 124 ? 11.874  -24.005 -3.074  0.000 25.360 0 124 VAL A CG2 1 ? 
ATOM   971  N N   . ARG A 1 125 ? 9.382   -27.110 -4.646  1.000 18.572 0 125 ARG A N   1 ? 
ATOM   972  C CA  . ARG A 1 125 ? 8.256   -27.134 -5.549  1.000 18.629 0 125 ARG A CA  1 ? 
ATOM   973  C C   . ARG A 1 125 ? 6.968   -27.246 -4.747  1.000 19.879 0 125 ARG A C   1 ? 
ATOM   974  O O   . ARG A 1 125 ? 6.907   -27.939 -3.709  1.000 20.599 0 125 ARG A O   1 ? 
ATOM   975  C CB  . ARG A 1 125 ? 8.431   -28.396 -6.390  1.000 22.961 0 125 ARG A CB  1 ? 
ATOM   976  C CG  . ARG A 1 125 ? 7.367   -28.687 -7.418  1.000 26.287 0 125 ARG A CG  1 ? 
ATOM   977  C CD  . ARG A 1 125 ? 7.807   -29.900 -8.271  1.000 30.063 0 125 ARG A CD  1 ? 
ATOM   978  N NE  . ARG A 1 125 ? 8.913   -29.559 -9.186  1.000 31.528 0 125 ARG A NE  1 ? 
ATOM   979  C CZ  . ARG A 1 125 ? 9.225   -30.290 -10.261 1.000 38.261 0 125 ARG A CZ  1 ? 
ATOM   980  N NH1 . ARG A 1 125 ? 8.478   -31.336 -10.585 1.000 41.087 0 125 ARG A NH1 1 ? 
ATOM   981  N NH2 . ARG A 1 125 ? 10.241  -29.952 -11.037 1.000 39.645 0 125 ARG A NH2 1 ? 
ATOM   982  N N   . CYS A 1 126 ? 5.930   -26.615 -5.282  1.000 15.678 0 126 CYS A N   1 ? 
ATOM   983  C CA  . CYS A 1 126 ? 4.573   -26.911 -4.877  1.000 16.677 0 126 CYS A CA  1 ? 
ATOM   984  C C   . CYS A 1 126 ? 3.764   -27.075 -6.146  1.000 17.455 0 126 CYS A C   1 ? 
ATOM   985  O O   . CYS A 1 126 ? 3.406   -26.084 -6.765  1.000 17.648 0 126 CYS A O   1 ? 
ATOM   986  C CB  . CYS A 1 126 ? 4.031   -25.821 -3.978  1.000 16.048 0 126 CYS A CB  1 ? 
ATOM   987  S SG  . CYS A 1 126 ? 2.301   -26.085 -3.483  1.000 17.581 0 126 CYS A SG  1 ? 
ATOM   988  N N   . ALA A 1 127 ? 3.447   -28.330 -6.493  1.000 18.222 0 127 ALA A N   1 ? 
ATOM   989  C CA  . ALA A 1 127 ? 2.827   -28.595 -7.792  1.000 21.541 0 127 ALA A CA  1 ? 
ATOM   990  C C   . ALA A 1 127 ? 1.531   -29.393 -7.677  1.000 24.166 0 127 ALA A C   1 ? 
ATOM   991  O O   . ALA A 1 127 ? 0.938   -29.755 -8.689  1.000 27.854 0 127 ALA A O   1 ? 
ATOM   992  C CB  . ALA A 1 127 ? 3.788   -29.299 -8.722  1.000 22.535 0 127 ALA A CB  1 ? 
ATOM   993  N N   . ALA A 1 128 ? 1.027   -29.592 -6.469  1.000 21.270 0 128 ALA A N   1 ? 
ATOM   994  C CA  . ALA A 1 128 ? -0.212  -30.327 -6.258  1.000 20.653 0 128 ALA A CA  1 ? 
ATOM   995  C C   . ALA A 1 128 ? -1.407  -29.519 -6.723  1.000 20.699 0 128 ALA A C   1 ? 
ATOM   996  O O   . ALA A 1 128 ? -1.335  -28.310 -6.899  1.000 20.496 0 128 ALA A O   1 ? 
ATOM   997  C CB  . ALA A 1 128 ? -0.365  -30.651 -4.806  1.000 22.485 0 128 ALA A CB  1 ? 
ATOM   998  N N   . ASP A 1 129 ? -2.554  -30.193 -6.849  1.000 21.251 0 129 ASP A N   1 ? 
ATOM   999  C CA  . ASP A 1 129 ? -3.761  -29.545 -7.326  1.000 21.734 0 129 ASP A CA  1 ? 
ATOM   1000 C C   . ASP A 1 129 ? -4.496  -28.948 -6.133  1.000 20.659 0 129 ASP A C   1 ? 
ATOM   1001 O O   . ASP A 1 129 ? -5.553  -29.387 -5.716  1.000 20.420 0 129 ASP A O   1 ? 
ATOM   1002 C CB  . ASP A 1 129 ? -4.709  -30.492 -8.047  1.000 25.827 0 129 ASP A CB  1 ? 
ATOM   1003 C CG  . ASP A 1 129 ? -5.894  -29.787 -8.681  1.000 25.736 0 129 ASP A CG  1 ? 
ATOM   1004 O OD1 . ASP A 1 129 ? -5.907  -28.524 -8.761  1.000 26.527 0 129 ASP A OD1 1 ? 
ATOM   1005 O OD2 . ASP A 1 129 ? -6.802  -30.526 -9.123  1.000 34.912 0 129 ASP A OD2 1 ? 
ATOM   1006 N N   . ILE A 1 130 ? -3.896  -27.902 -5.578  1.000 17.030 0 130 ILE A N   1 ? 
ATOM   1007 C CA  . ILE A 1 130 ? -4.471  -27.232 -4.437  1.000 17.800 0 130 ILE A CA  1 ? 
ATOM   1008 C C   . ILE A 1 130 ? -5.779  -26.568 -4.814  1.000 18.126 0 130 ILE A C   1 ? 
ATOM   1009 O O   . ILE A 1 130 ? -6.693  -26.531 -4.007  1.000 19.761 0 130 ILE A O   1 ? 
ATOM   1010 C CB  . ILE A 1 130 ? -3.445  -26.270 -3.834  1.000 16.889 0 130 ILE A CB  1 ? 
ATOM   1011 C CG1 . ILE A 1 130 ? -2.373  -27.075 -3.106  1.000 19.497 0 130 ILE A CG1 1 ? 
ATOM   1012 C CG2 . ILE A 1 130 ? -4.133  -25.246 -2.931  1.000 18.523 0 130 ILE A CG2 1 ? 
ATOM   1013 C CD1 . ILE A 1 130 ? -1.286  -26.289 -2.417  1.000 22.095 0 130 ILE A CD1 1 ? 
ATOM   1014 N N   . VAL A 1 131 ? -5.924  -25.994 -6.024  1.000 16.844 0 131 VAL A N   1 ? 
ATOM   1015 C CA  . VAL A 1 131 ? -7.157  -25.311 -6.334  1.000 17.115 0 131 VAL A CA  1 ? 
ATOM   1016 C C   . VAL A 1 131 ? -8.295  -26.320 -6.424  1.000 18.929 0 131 VAL A C   1 ? 
ATOM   1017 O O   . VAL A 1 131 ? -9.372  -26.034 -5.905  1.000 20.574 0 131 VAL A O   1 ? 
ATOM   1018 C CB  . VAL A 1 131 ? -7.035  -24.471 -7.614  1.000 20.356 0 131 VAL A CB  1 ? 
ATOM   1019 C CG1 . VAL A 1 131 ? -8.361  -23.825 -7.950  1.000 23.373 0 131 VAL A CG1 1 ? 
ATOM   1020 C CG2 . VAL A 1 131 ? -5.945  -23.423 -7.423  1.000 20.751 0 131 VAL A CG2 1 ? 
ATOM   1021 N N   . GLY A 1 132 ? -8.017  -27.472 -7.032  1.000 17.695 0 132 GLY A N   1 ? 
ATOM   1022 C CA  . GLY A 1 132 ? -9.051  -28.490 -7.197  1.000 19.127 0 132 GLY A CA  1 ? 
ATOM   1023 C C   . GLY A 1 132 ? -9.543  -29.014 -5.843  1.000 21.148 0 132 GLY A C   1 ? 
ATOM   1024 O O   . GLY A 1 132 ? -10.736 -29.342 -5.672  1.000 23.769 0 132 GLY A O   1 ? 
ATOM   1025 N N   . GLN A 1 133 ? -8.620  -29.149 -4.894  1.000 17.445 0 133 GLN A N   1 ? 
ATOM   1026 C CA  . GLN A 1 133 ? -8.933  -29.806 -3.628  1.000 18.484 0 133 GLN A CA  1 ? 
ATOM   1027 C C   . GLN A 1 133 ? -9.283  -28.791 -2.528  1.000 17.629 0 133 GLN A C   1 ? 
ATOM   1028 O O   . GLN A 1 133 ? -9.594  -29.177 -1.418  1.000 18.738 0 133 GLN A O   1 ? 
ATOM   1029 C CB  . GLN A 1 133 ? -7.728  -30.612 -3.157  1.000 20.026 0 133 GLN A CB  1 ? 
ATOM   1030 C CG  . GLN A 1 133 ? -7.291  -31.757 -4.061  1.000 22.337 0 133 GLN A CG  1 ? 
ATOM   1031 C CD  . GLN A 1 133 ? -8.340  -32.823 -4.235  1.000 27.431 0 133 GLN A CD  1 ? 
ATOM   1032 O OE1 . GLN A 1 133 ? -9.428  -32.807 -3.662  1.000 28.568 0 133 GLN A OE1 1 ? 
ATOM   1033 N NE2 . GLN A 1 133 ? -8.076  -33.703 -5.179  1.000 37.531 0 133 GLN A NE2 1 ? 
ATOM   1034 N N   . CYS A 1 134 ? -9.237  -27.496 -2.836  1.000 17.174 0 134 CYS A N   1 ? 
ATOM   1035 C CA  . CYS A 1 134 ? -9.362  -26.413 -1.868  1.000 16.459 0 134 CYS A CA  1 ? 
ATOM   1036 C C   . CYS A 1 134 ? -10.639 -26.576 -1.035  1.000 17.860 0 134 CYS A C   1 ? 
ATOM   1037 O O   . CYS A 1 134 ? -11.719 -26.732 -1.610  1.000 19.197 0 134 CYS A O   1 ? 
ATOM   1038 C CB  . CYS A 1 134 ? -9.404  -25.110 -2.638  1.000 17.340 0 134 CYS A CB  1 ? 
ATOM   1039 S SG  . CYS A 1 134 ? -9.374  -23.619 -1.630  1.000 15.822 0 134 CYS A SG  1 ? 
ATOM   1040 N N   . PRO A 1 135 ? -10.546 -26.461 0.307   1.000 17.929 0 135 PRO A N   1 ? 
ATOM   1041 C CA  . PRO A 1 135 ? -11.741 -26.388 1.152   1.000 22.065 0 135 PRO A CA  1 ? 
ATOM   1042 C C   . PRO A 1 135 ? -12.735 -25.354 0.671   1.000 22.252 0 135 PRO A C   1 ? 
ATOM   1043 O O   . PRO A 1 135 ? -12.412 -24.245 0.275   1.000 18.772 0 135 PRO A O   1 ? 
ATOM   1044 C CB  . PRO A 1 135 ? -11.130 -25.980 2.489   1.000 22.062 0 135 PRO A CB  1 ? 
ATOM   1045 C CG  . PRO A 1 135 ? -9.782  -26.577 2.489   1.000 23.340 0 135 PRO A CG  1 ? 
ATOM   1046 C CD  . PRO A 1 135 ? -9.301  -26.298 1.074   1.000 21.314 0 135 PRO A CD  1 ? 
ATOM   1047 N N   . ALA A 1 136 ? -14.029 -25.676 0.768   1.000 23.537 0 136 ALA A N   1 ? 
ATOM   1048 C CA  . ALA A 1 136 ? -15.041 -24.780 0.242   1.000 22.062 0 136 ALA A CA  1 ? 
ATOM   1049 C C   . ALA A 1 136 ? -14.938 -23.348 0.782   1.000 19.434 0 136 ALA A C   1 ? 
ATOM   1050 O O   . ALA A 1 136 ? -15.110 -22.380 0.061   1.000 22.258 0 136 ALA A O   1 ? 
ATOM   1051 C CB  . ALA A 1 136 ? -16.392 -25.364 0.660   1.000 29.065 0 136 ALA A CB  1 ? 
ATOM   1052 N N   . LYS A 1 137 ? -14.609 -23.188 2.065   1.000 18.619 0 137 LYS A N   1 ? 
ATOM   1053 C CA  . LYS A 1 137 ? -14.584 -21.849 2.618   1.000 19.482 0 137 LYS A CA  1 ? 
ATOM   1054 C C   . LYS A 1 137 ? -13.364 -21.045 2.168   1.000 18.513 0 137 LYS A C   1 ? 
ATOM   1055 O O   . LYS A 1 137 ? -13.370 -19.829 2.321   1.000 21.133 0 137 LYS A O   1 ? 
ATOM   1056 C CB  . LYS A 1 137 ? -14.615 -21.854 4.153   1.000 23.307 0 137 LYS A CB  1 ? 
ATOM   1057 C CG  . LYS A 1 137 ? -16.007 -22.280 4.661   1.000 26.731 0 137 LYS A CG  1 ? 
ATOM   1058 C CD  . LYS A 1 137 ? -16.091 -22.217 6.177   1.000 36.194 0 137 LYS A CD  1 ? 
ATOM   1059 C CE  . LYS A 1 137 ? -17.439 -22.707 6.641   1.000 41.452 0 137 LYS A CE  1 ? 
ATOM   1060 N NZ  . LYS A 1 137 ? -17.387 -23.013 8.077   1.000 48.966 0 137 LYS A NZ  1 ? 
ATOM   1061 N N   . LEU A 1 138 ? -12.341 -21.682 1.595   1.000 17.319 0 138 LEU A N   1 ? 
ATOM   1062 C CA  . LEU A 1 138 ? -11.156 -20.935 1.147   1.000 16.064 0 138 LEU A CA  1 ? 
ATOM   1063 C C   . LEU A 1 138 ? -11.151 -20.690 -0.362  1.000 16.012 0 138 LEU A C   1 ? 
ATOM   1064 O O   . LEU A 1 138 ? -10.239 -20.034 -0.869  1.000 17.503 0 138 LEU A O   1 ? 
ATOM   1065 C CB  . LEU A 1 138 ? -9.928  -21.739 1.512   1.000 15.300 0 138 LEU A CB  1 ? 
ATOM   1066 C CG  . LEU A 1 138 ? -9.695  -22.005 2.996   1.000 16.285 0 138 LEU A CG  1 ? 
ATOM   1067 C CD1 . LEU A 1 138 ? -8.376  -22.761 3.147   1.000 18.446 0 138 LEU A CD1 1 ? 
ATOM   1068 C CD2 . LEU A 1 138 ? -9.715  -20.724 3.799   1.000 18.700 0 138 LEU A CD2 1 ? 
ATOM   1069 N N   . LYS A 1 139 ? -12.068 -21.317 -1.095  1.000 16.313 0 139 LYS A N   1 ? 
ATOM   1070 C CA  . LYS A 1 139 ? -12.126 -21.128 -2.535  1.000 19.487 0 139 LYS A CA  1 ? 
ATOM   1071 C C   . LYS A 1 139 ? -12.374 -19.673 -2.898  1.000 20.188 0 139 LYS A C   1 ? 
ATOM   1072 O O   . LYS A 1 139 ? -13.272 -19.046 -2.375  1.000 23.919 0 139 LYS A O   1 ? 
ATOM   1073 C CB  . LYS A 1 139 ? -13.218 -21.977 -3.199  1.000 24.685 0 139 LYS A CB  1 ? 
ATOM   1074 C CG  . LYS A 1 139 ? -13.082 -23.445 -3.026  1.000 31.587 0 139 LYS A CG  1 ? 
ATOM   1075 C CD  . LYS A 1 139 ? -14.188 -24.283 -3.673  1.000 43.697 0 139 LYS A CD  1 ? 
ATOM   1076 C CE  . LYS A 1 139 ? -14.010 -24.438 -5.160  1.000 52.016 0 139 LYS A CE  1 ? 
ATOM   1077 N NZ  . LYS A 1 139 ? -12.707 -25.038 -5.492  1.000 62.007 0 139 LYS A NZ  1 ? 
ATOM   1078 N N   . ALA A 1 140 ? -11.543 -19.129 -3.777  1.000 19.996 0 140 ALA A N   1 ? 
ATOM   1079 C CA  . ALA A 1 140 ? -11.733 -17.787 -4.282  1.000 21.542 0 140 ALA A CA  1 ? 
ATOM   1080 C C   . ALA A 1 140 ? -12.532 -17.842 -5.584  1.000 24.440 0 140 ALA A C   1 ? 
ATOM   1081 O O   . ALA A 1 140 ? -12.144 -18.559 -6.488  1.000 25.860 0 140 ALA A O   1 ? 
ATOM   1082 C CB  . ALA A 1 140 ? -10.383 -17.145 -4.526  1.000 23.250 0 140 ALA A CB  1 ? 
ATOM   1083 N N   . PRO A 1 141 ? -13.603 -17.035 -5.724  1.000 28.371 0 141 PRO A N   1 ? 
ATOM   1084 C CA  . PRO A 1 141 ? -14.423 -17.069 -6.939  1.000 31.497 0 141 PRO A CA  1 ? 
ATOM   1085 C C   . PRO A 1 141 ? -13.629 -16.783 -8.206  1.000 36.460 0 141 PRO A C   1 ? 
ATOM   1086 O O   . PRO A 1 141 ? -13.840 -17.439 -9.236  1.000 39.437 0 141 PRO A O   1 ? 
ATOM   1087 C CB  . PRO A 1 141 ? -15.447 -15.973 -6.658  1.000 35.224 0 141 PRO A CB  1 ? 
ATOM   1088 C CG  . PRO A 1 141 ? -15.555 -15.912 -5.158  1.000 33.276 0 141 PRO A CG  1 ? 
ATOM   1089 C CD  . PRO A 1 141 ? -14.111 -16.092 -4.715  1.000 31.742 0 141 PRO A CD  1 ? 
ATOM   1090 N N   . GLY A 1 142 ? -12.678 -15.839 -8.094  1.000 35.444 0 142 GLY A N   1 ? 
ATOM   1091 C CA  . GLY A 1 142 ? -11.862 -15.429 -9.227  1.000 36.269 0 142 GLY A CA  1 ? 
ATOM   1092 C C   . GLY A 1 142 ? -10.879 -16.509 -9.665  1.000 35.635 0 142 GLY A C   1 ? 
ATOM   1093 O O   . GLY A 1 142 ? -10.281 -16.443 -10.746 1.000 35.649 0 142 GLY A O   1 ? 
ATOM   1094 N N   . GLY A 1 143 ? -10.750 -17.540 -8.830  1.000 31.633 0 143 GLY A N   1 ? 
ATOM   1095 C CA  . GLY A 1 143 ? -9.761  -18.567 -9.047  1.000 29.078 0 143 GLY A CA  1 ? 
ATOM   1096 C C   . GLY A 1 143 ? -8.814  -18.584 -7.839  1.000 24.746 0 143 GLY A C   1 ? 
ATOM   1097 O O   . GLY A 1 143 ? -8.649  -17.603 -7.115  1.000 26.280 0 143 GLY A O   1 ? 
ATOM   1098 N N   . GLY A 1 144 ? -8.294  -19.757 -7.551  1.000 22.079 0 144 GLY A N   1 ? 
ATOM   1099 C CA  . GLY A 1 144 ? -7.310  -19.871 -6.500  1.000 18.726 0 144 GLY A CA  1 ? 
ATOM   1100 C C   . GLY A 1 144 ? -7.898  -20.357 -5.185  1.000 17.269 0 144 GLY A C   1 ? 
ATOM   1101 O O   . GLY A 1 144 ? -9.106  -20.555 -5.042  1.000 17.122 0 144 GLY A O   1 ? 
ATOM   1102 N N   . CYS A 1 145 ? -6.994  -20.565 -4.253  1.000 14.594 0 145 CYS A N   1 ? 
ATOM   1103 C CA  . CYS A 1 145 ? -7.336  -21.097 -2.932  1.000 14.164 0 145 CYS A CA  1 ? 
ATOM   1104 C C   . CYS A 1 145 ? -6.696  -20.169 -1.903  1.000 13.542 0 145 CYS A C   1 ? 
ATOM   1105 O O   . CYS A 1 145 ? -5.485  -20.058 -1.780  1.000 13.494 0 145 CYS A O   1 ? 
ATOM   1106 C CB  . CYS A 1 145 ? -6.805  -22.507 -2.750  1.000 14.825 0 145 CYS A CB  1 ? 
ATOM   1107 S SG  . CYS A 1 145 ? -7.397  -23.334 -1.259  1.000 15.861 0 145 CYS A SG  1 ? 
ATOM   1108 N N   . ASN A 1 146 ? -7.529  -19.378 -1.219  1.000 13.891 0 146 ASN A N   1 ? 
ATOM   1109 C CA  . ASN A 1 146 ? -7.056  -18.403 -0.269  1.000 13.343 0 146 ASN A CA  1 ? 
ATOM   1110 C C   . ASN A 1 146 ? -6.526  -19.058 0.993   1.000 13.454 0 146 ASN A C   1 ? 
ATOM   1111 O O   . ASN A 1 146 ? -6.974  -20.142 1.370   1.000 15.479 0 146 ASN A O   1 ? 
ATOM   1112 C CB  . ASN A 1 146 ? -8.197  -17.536 0.219   1.000 14.988 0 146 ASN A CB  1 ? 
ATOM   1113 C CG  . ASN A 1 146 ? -8.661  -16.497 -0.761  1.000 19.875 0 146 ASN A CG  1 ? 
ATOM   1114 O OD1 . ASN A 1 146 ? -7.851  -15.741 -1.287  1.000 21.733 0 146 ASN A OD1 1 ? 
ATOM   1115 N ND2 . ASN A 1 146 ? -9.969  -16.484 -0.990  1.000 26.005 0 146 ASN A ND2 1 ? 
ATOM   1116 N N   . ASP A 1 147 ? -5.602  -18.386 1.636   1.000 13.479 0 147 ASP A N   1 ? 
ATOM   1117 C CA  . ASP A 1 147 ? -5.214  -18.765 2.977   1.000 13.453 0 147 ASP A CA  1 ? 
ATOM   1118 C C   . ASP A 1 147 ? -6.277  -18.302 3.977   1.000 12.822 0 147 ASP A C   1 ? 
ATOM   1119 O O   . ASP A 1 147 ? -7.094  -17.388 3.723   1.000 13.744 0 147 ASP A O   1 ? 
ATOM   1120 C CB  . ASP A 1 147 ? -3.917  -18.106 3.340   1.000 14.094 0 147 ASP A CB  1 ? 
ATOM   1121 C CG  . ASP A 1 147 ? -4.007  -16.603 3.389   1.000 14.842 0 147 ASP A CG  1 ? 
ATOM   1122 O OD1 . ASP A 1 147 ? -4.131  -15.951 2.315   1.000 14.911 0 147 ASP A OD1 1 ? 
ATOM   1123 O OD2 . ASP A 1 147 ? -4.118  -16.069 4.537   1.000 15.631 0 147 ASP A OD2 1 ? 
ATOM   1124 N N   . ALA A 1 148 ? -6.245  -18.919 5.168   1.000 12.892 0 148 ALA A N   1 ? 
ATOM   1125 C CA  . ALA A 1 148 ? -7.273  -18.647 6.164   1.000 13.301 0 148 ALA A CA  1 ? 
ATOM   1126 C C   . ALA A 1 148 ? -7.156  -17.246 6.763   1.000 12.965 0 148 ALA A C   1 ? 
ATOM   1127 O O   . ALA A 1 148 ? -8.132  -16.749 7.283   1.000 13.861 0 148 ALA A O   1 ? 
ATOM   1128 C CB  . ALA A 1 148 ? -7.141  -19.691 7.278   1.000 14.158 0 148 ALA A CB  1 ? 
ATOM   1129 N N   . CYS A 1 149 ? -5.970  -16.667 6.856   1.000 13.503 0 149 CYS A N   1 ? 
ATOM   1130 C CA  . CYS A 1 149 ? -5.808  -15.321 7.400   1.000 13.038 0 149 CYS A CA  1 ? 
ATOM   1131 C C   . CYS A 1 149 ? -6.530  -14.322 6.503   1.000 14.403 0 149 CYS A C   1 ? 
ATOM   1132 O O   . CYS A 1 149 ? -7.348  -13.516 6.943   1.000 15.119 0 149 CYS A O   1 ? 
ATOM   1133 C CB  . CYS A 1 149 ? -4.334  -14.988 7.542   1.000 14.553 0 149 CYS A CB  1 ? 
ATOM   1134 S SG  . CYS A 1 149 ? -4.057  -13.236 7.894   1.000 16.040 0 149 CYS A SG  1 ? 
ATOM   1135 N N   . THR A 1 150 ? -6.308  -14.406 5.182   1.000 13.134 0 150 THR A N   1 ? 
ATOM   1136 C CA  . THR A 1 150 ? -7.040  -13.572 4.242   1.000 14.374 0 150 THR A CA  1 ? 
ATOM   1137 C C   . THR A 1 150 ? -8.553  -13.689 4.413   1.000 14.128 0 150 THR A C   1 ? 
ATOM   1138 O O   . THR A 1 150 ? -9.244  -12.669 4.364   1.000 17.166 0 150 THR A O   1 ? 
ATOM   1139 C CB  . THR A 1 150 ? -6.661  -13.982 2.819   1.000 15.373 0 150 THR A CB  1 ? 
ATOM   1140 O OG1 . THR A 1 150 ? -5.288  -13.683 2.660   1.000 15.707 0 150 THR A OG1 1 ? 
ATOM   1141 C CG2 . THR A 1 150 ? -7.510  -13.254 1.787   1.000 18.841 0 150 THR A CG2 1 ? 
ATOM   1142 N N   . VAL A 1 151 ? -9.071  -14.912 4.558   1.000 13.121 0 151 VAL A N   1 ? 
ATOM   1143 C CA  . VAL A 1 151 ? -10.499 -15.117 4.613   1.000 14.474 0 151 VAL A CA  1 ? 
ATOM   1144 C C   . VAL A 1 151 ? -11.091 -14.656 5.939   1.000 13.904 0 151 VAL A C   1 ? 
ATOM   1145 O O   . VAL A 1 151 ? -12.050 -13.882 5.935   1.000 16.565 0 151 VAL A O   1 ? 
ATOM   1146 C CB  . VAL A 1 151 ? -10.851 -16.569 4.304   1.000 15.868 0 151 VAL A CB  1 ? 
ATOM   1147 C CG1 . VAL A 1 151 ? -12.333 -16.850 4.473   1.000 16.814 0 151 VAL A CG1 1 ? 
ATOM   1148 C CG2 . VAL A 1 151 ? -10.418 -16.875 2.877   1.000 18.251 0 151 VAL A CG2 1 ? 
ATOM   1149 N N   . PHE A 1 152 ? -10.521 -15.098 7.064   1.000 13.779 0 152 PHE A N   1 ? 
ATOM   1150 C CA  . PHE A 1 152 ? -11.203 -14.948 8.358   1.000 15.526 0 152 PHE A CA  1 ? 
ATOM   1151 C C   . PHE A 1 152 ? -10.643 -13.824 9.207   1.000 15.556 0 152 PHE A C   1 ? 
ATOM   1152 O O   . PHE A 1 152 ? -11.298 -13.402 10.164  1.000 15.985 0 152 PHE A O   1 ? 
ATOM   1153 C CB  . PHE A 1 152 ? -11.108 -16.271 9.107   1.000 14.883 0 152 PHE A CB  1 ? 
ATOM   1154 C CG  . PHE A 1 152 ? -11.913 -17.356 8.444   1.000 14.497 0 152 PHE A CG  1 ? 
ATOM   1155 C CD1 . PHE A 1 152 ? -13.290 -17.348 8.478   1.000 16.295 0 152 PHE A CD1 1 ? 
ATOM   1156 C CD2 . PHE A 1 152 ? -11.272 -18.375 7.755   1.000 16.060 0 152 PHE A CD2 1 ? 
ATOM   1157 C CE1 . PHE A 1 152 ? -14.013 -18.354 7.877   1.000 17.904 0 152 PHE A CE1 1 ? 
ATOM   1158 C CE2 . PHE A 1 152 ? -12.005 -19.372 7.156   1.000 17.743 0 152 PHE A CE2 1 ? 
ATOM   1159 C CZ  . PHE A 1 152 ? -13.368 -19.353 7.213   1.000 17.037 0 152 PHE A CZ  1 ? 
ATOM   1160 N N   . GLN A 1 153 ? -9.397  -13.407 9.003   1.000 14.264 0 153 GLN A N   1 ? 
ATOM   1161 C CA  A GLN A 1 153 ? -8.847  -12.232 9.674   0.740 14.533 0 153 GLN A CA  1 ? 
ATOM   1162 C CA  B GLN A 1 153 ? -8.773  -12.279 9.685   0.260 14.204 0 153 GLN A CA  1 ? 
ATOM   1163 C C   . GLN A 1 153 ? -8.856  -12.413 11.201  1.000 14.238 0 153 GLN A C   1 ? 
ATOM   1164 O O   . GLN A 1 153 ? -9.269  -11.489 11.916  1.000 16.386 0 153 GLN A O   1 ? 
ATOM   1165 C CB  A GLN A 1 153 ? -9.623  -10.953 9.330   0.740 15.038 0 153 GLN A CB  1 ? 
ATOM   1166 C CB  B GLN A 1 153 ? -9.378  -10.960 9.233   0.260 13.925 0 153 GLN A CB  1 ? 
ATOM   1167 C CG  A GLN A 1 153 ? -9.500  -10.525 7.865   0.740 18.226 0 153 GLN A CG  1 ? 
ATOM   1168 C CG  B GLN A 1 153 ? -9.098  -10.678 7.765   0.260 14.071 0 153 GLN A CG  1 ? 
ATOM   1169 C CD  A GLN A 1 153 ? -8.188  -9.832  7.567   0.740 22.133 0 153 GLN A CD  1 ? 
ATOM   1170 C CD  B GLN A 1 153 ? -9.916  -9.512  7.291   0.260 14.994 0 153 GLN A CD  1 ? 
ATOM   1171 O OE1 A GLN A 1 153 ? -8.026  -8.613  7.683   0.740 22.747 0 153 GLN A OE1 1 ? 
ATOM   1172 O OE1 B GLN A 1 153 ? -11.116 -9.621  7.030   0.260 18.260 0 153 GLN A OE1 1 ? 
ATOM   1173 N NE2 A GLN A 1 153 ? -7.199  -10.591 7.127   0.740 22.344 0 153 GLN A NE2 1 ? 
ATOM   1174 N NE2 B GLN A 1 153 ? -9.273  -8.367  7.274   0.260 14.712 0 153 GLN A NE2 1 ? 
ATOM   1175 N N   . THR A 1 154 ? -8.416  -13.574 11.698  1.000 13.684 0 154 THR A N   1 ? 
ATOM   1176 C CA  . THR A 1 154 ? -8.265  -13.807 13.135  1.000 13.395 0 154 THR A CA  1 ? 
ATOM   1177 C C   . THR A 1 154 ? -6.792  -13.750 13.524  1.000 14.251 0 154 THR A C   1 ? 
ATOM   1178 O O   . THR A 1 154 ? -5.873  -14.034 12.759  1.000 14.195 0 154 THR A O   1 ? 
ATOM   1179 C CB  . THR A 1 154 ? -8.862  -15.154 13.546  1.000 15.110 0 154 THR A CB  1 ? 
ATOM   1180 O OG1 . THR A 1 154 ? -8.043  -16.200 13.053  1.000 15.940 0 154 THR A OG1 1 ? 
ATOM   1181 C CG2 . THR A 1 154 ? -10.299 -15.303 13.096  1.000 17.255 0 154 THR A CG2 1 ? 
ATOM   1182 N N   . SER A 1 155 ? -6.560  -13.521 14.822  1.000 14.193 0 155 SER A N   1 ? 
ATOM   1183 C CA  A SER A 1 155 ? -5.224  -13.516 15.377  0.710 15.237 0 155 SER A CA  1 ? 
ATOM   1184 C CA  B SER A 1 155 ? -5.239  -13.527 15.417  0.290 14.950 0 155 SER A CA  1 ? 
ATOM   1185 C C   . SER A 1 155 ? -4.551  -14.871 15.193  1.000 14.752 0 155 SER A C   1 ? 
ATOM   1186 O O   . SER A 1 155 ? -3.373  -14.937 14.917  1.000 15.914 0 155 SER A O   1 ? 
ATOM   1187 C CB  A SER A 1 155 ? -5.196  -13.103 16.828  0.710 18.127 0 155 SER A CB  1 ? 
ATOM   1188 C CB  B SER A 1 155 ? -5.331  -13.195 16.888  0.290 16.209 0 155 SER A CB  1 ? 
ATOM   1189 O OG  A SER A 1 155 ? -5.771  -11.821 17.004  0.710 19.944 0 155 SER A OG  1 ? 
ATOM   1190 O OG  B SER A 1 155 ? -6.233  -14.070 17.560  0.290 17.499 0 155 SER A OG  1 ? 
ATOM   1191 N N   . GLU A 1 156 ? -5.325  -15.943 15.279  1.000 13.956 0 156 GLU A N   1 ? 
ATOM   1192 C CA  . GLU A 1 156 ? -4.765  -17.276 15.158  1.000 14.392 0 156 GLU A CA  1 ? 
ATOM   1193 C C   . GLU A 1 156 ? -4.325  -17.551 13.733  1.000 14.820 0 156 GLU A C   1 ? 
ATOM   1194 O O   . GLU A 1 156 ? -3.241  -18.059 13.558  1.000 16.886 0 156 GLU A O   1 ? 
ATOM   1195 C CB  . GLU A 1 156 ? -5.752  -18.345 15.606  1.000 15.462 0 156 GLU A CB  1 ? 
ATOM   1196 C CG  . GLU A 1 156 ? -5.132  -19.726 15.791  1.000 15.821 0 156 GLU A CG  1 ? 
ATOM   1197 C CD  . GLU A 1 156 ? -4.078  -19.804 16.880  1.000 15.714 0 156 GLU A CD  1 ? 
ATOM   1198 O OE1 . GLU A 1 156 ? -3.964  -18.877 17.707  1.000 16.681 0 156 GLU A OE1 1 ? 
ATOM   1199 O OE2 . GLU A 1 156 ? -3.323  -20.797 16.915  1.000 16.799 0 156 GLU A OE2 1 ? 
ATOM   1200 N N   . TYR A 1 157 ? -5.147  -17.262 12.723  1.000 13.969 0 157 TYR A N   1 ? 
ATOM   1201 C CA  . TYR A 1 157 ? -4.696  -17.559 11.367  1.000 12.995 0 157 TYR A CA  1 ? 
ATOM   1202 C C   . TYR A 1 157 ? -3.602  -16.611 10.886  1.000 14.527 0 157 TYR A C   1 ? 
ATOM   1203 O O   . TYR A 1 157 ? -2.769  -16.987 10.059  1.000 14.293 0 157 TYR A O   1 ? 
ATOM   1204 C CB  . TYR A 1 157 ? -5.883  -17.472 10.428  1.000 13.574 0 157 TYR A CB  1 ? 
ATOM   1205 C CG  . TYR A 1 157 ? -6.977  -18.485 10.673  1.000 14.371 0 157 TYR A CG  1 ? 
ATOM   1206 C CD1 . TYR A 1 157 ? -6.683  -19.821 10.890  1.000 15.175 0 157 TYR A CD1 1 ? 
ATOM   1207 C CD2 . TYR A 1 157 ? -8.295  -18.143 10.598  1.000 13.516 0 157 TYR A CD2 1 ? 
ATOM   1208 C CE1 . TYR A 1 157 ? -7.681  -20.736 11.134  1.000 14.657 0 157 TYR A CE1 1 ? 
ATOM   1209 C CE2 . TYR A 1 157 ? -9.298  -19.063 10.790  1.000 13.613 0 157 TYR A CE2 1 ? 
ATOM   1210 C CZ  . TYR A 1 157 ? -8.996  -20.366 11.089  1.000 13.904 0 157 TYR A CZ  1 ? 
ATOM   1211 O OH  . TYR A 1 157 ? -9.954  -21.296 11.343  1.000 15.357 0 157 TYR A OH  1 ? 
ATOM   1212 N N   . CYS A 1 158 ? -3.662  -15.372 11.342  1.000 14.765 0 158 CYS A N   1 ? 
ATOM   1213 C CA  . CYS A 1 158 ? -2.714  -14.362 10.891  1.000 14.688 0 158 CYS A CA  1 ? 
ATOM   1214 C C   . CYS A 1 158 ? -1.465  -14.307 11.756  1.000 16.324 0 158 CYS A C   1 ? 
ATOM   1215 O O   . CYS A 1 158 ? -0.532  -13.601 11.393  1.000 17.767 0 158 CYS A O   1 ? 
ATOM   1216 C CB  . CYS A 1 158 ? -3.426  -13.021 10.816  1.000 15.556 0 158 CYS A CB  1 ? 
ATOM   1217 S SG  . CYS A 1 158 ? -4.864  -12.990 9.725   1.000 15.314 0 158 CYS A SG  1 ? 
ATOM   1218 N N   . CYS A 1 159 ? -1.485  -15.028 12.892  1.000 17.319 0 159 CYS A N   1 ? 
ATOM   1219 C CA  A CYS A 1 159 ? -0.378  -15.109 13.821  0.590 18.119 0 159 CYS A CA  1 ? 
ATOM   1220 C CA  B CYS A 1 159 ? -0.354  -15.111 13.808  0.410 18.111 0 159 CYS A CA  1 ? 
ATOM   1221 C C   . CYS A 1 159 ? 0.035   -13.712 14.300  1.000 19.205 0 159 CYS A C   1 ? 
ATOM   1222 O O   . CYS A 1 159 ? 1.221   -13.401 14.491  1.000 19.456 0 159 CYS A O   1 ? 
ATOM   1223 C CB  A CYS A 1 159 ? 0.794   -15.821 13.179  0.590 19.130 0 159 CYS A CB  1 ? 
ATOM   1224 C CB  B CYS A 1 159 ? 0.846   -15.789 13.155  0.410 18.653 0 159 CYS A CB  1 ? 
ATOM   1225 S SG  A CYS A 1 159 ? 1.708   -16.736 14.430  0.590 19.616 0 159 CYS A SG  1 ? 
ATOM   1226 S SG  B CYS A 1 159 ? 0.554   -17.527 12.730  0.410 18.883 0 159 CYS A SG  1 ? 
ATOM   1227 N N   . THR A 1 160 ? -0.972  -12.898 14.564  1.000 20.165 0 160 THR A N   1 ? 
ATOM   1228 C CA  . THR A 1 160 ? -0.803  -11.513 14.918  1.000 20.207 0 160 THR A CA  1 ? 
ATOM   1229 C C   . THR A 1 160 ? -0.008  -11.352 16.220  1.000 24.066 0 160 THR A C   1 ? 
ATOM   1230 O O   . THR A 1 160 ? 0.705   -10.365 16.328  1.000 32.406 0 160 THR A O   1 ? 
ATOM   1231 C CB  . THR A 1 160 ? -2.202  -10.905 15.077  1.000 23.597 0 160 THR A CB  1 ? 
ATOM   1232 O OG1 . THR A 1 160 ? -2.848  -11.151 13.842  1.000 25.965 0 160 THR A OG1 1 ? 
ATOM   1233 C CG2 . THR A 1 160 ? -2.155  -9.408  15.287  1.000 29.365 0 160 THR A CG2 1 ? 
ATOM   1234 N N   . THR A 1 161 ? -0.178  -12.237 17.209  1.000 24.368 0 161 THR A N   1 ? 
ATOM   1235 C CA  . THR A 1 161 ? 0.486   -12.036 18.503  1.000 29.606 0 161 THR A CA  1 ? 
ATOM   1236 C C   . THR A 1 161 ? 1.886   -12.636 18.461  1.000 33.957 0 161 THR A C   1 ? 
ATOM   1237 O O   . THR A 1 161 ? 2.592   -12.590 19.462  1.000 33.965 0 161 THR A O   1 ? 
ATOM   1238 C CB  . THR A 1 161 ? -0.317  -12.657 19.635  1.000 32.255 0 161 THR A CB  1 ? 
ATOM   1239 O OG1 . THR A 1 161 ? -0.162  -14.065 19.493  1.000 33.232 0 161 THR A OG1 1 ? 
ATOM   1240 C CG2 . THR A 1 161 ? -1.789  -12.274 19.630  1.000 37.366 0 161 THR A CG2 1 ? 
ATOM   1241 N N   . GLY A 1 162 ? 2.270   -13.259 17.341  1.000 30.030 0 162 GLY A N   1 ? 
ATOM   1242 C CA  . GLY A 1 162 ? 3.543   -13.955 17.265  1.000 31.108 0 162 GLY A CA  1 ? 
ATOM   1243 C C   . GLY A 1 162 ? 3.464   -15.328 17.918  1.000 30.537 0 162 GLY A C   1 ? 
ATOM   1244 O O   . GLY A 1 162 ? 4.451   -16.048 17.983  1.000 30.464 0 162 GLY A O   1 ? 
ATOM   1245 N N   . LYS A 1 163 ? 2.270   -15.695 18.387  1.000 27.505 0 163 LYS A N   1 ? 
ATOM   1246 C CA  . LYS A 1 163 ? 2.017   -17.029 18.873  1.000 28.955 0 163 LYS A CA  1 ? 
ATOM   1247 C C   . LYS A 1 163 ? 0.774   -17.522 18.160  1.000 29.211 0 163 LYS A C   1 ? 
ATOM   1248 O O   . LYS A 1 163 ? -0.288  -16.894 18.151  1.000 31.145 0 163 LYS A O   1 ? 
ATOM   1249 C CB  . LYS A 1 163 ? 1.842   -17.146 20.391  1.000 35.248 0 163 LYS A CB  1 ? 
ATOM   1250 C CG  . LYS A 1 163 ? 2.876   -16.442 21.286  0.750 40.385 0 163 LYS A CG  1 ? 
ATOM   1251 C CD  . LYS A 1 163 ? 3.998   -17.287 21.895  0.600 45.572 0 163 LYS A CD  1 ? 
ATOM   1252 C CE  . LYS A 1 163 ? 5.257   -17.455 21.069  0.830 48.458 0 163 LYS A CE  1 ? 
ATOM   1253 N NZ  . LYS A 1 163 ? 5.337   -18.703 20.303  0.680 48.233 0 163 LYS A NZ  1 ? 
ATOM   1254 N N   . CYS A 1 164 ? 0.961   -18.649 17.511  1.000 22.317 0 164 CYS A N   1 ? 
ATOM   1255 C CA  . CYS A 1 164 ? -0.133  -19.297 16.819  1.000 19.065 0 164 CYS A CA  1 ? 
ATOM   1256 C C   . CYS A 1 164 ? 0.311   -20.720 16.566  1.000 20.865 0 164 CYS A C   1 ? 
ATOM   1257 O O   . CYS A 1 164 ? 1.508   -21.001 16.559  1.000 22.396 0 164 CYS A O   1 ? 
ATOM   1258 C CB  . CYS A 1 164 ? -0.455  -18.604 15.499  1.000 18.857 0 164 CYS A CB  1 ? 
ATOM   1259 S SG  . CYS A 1 164 ? 0.933   -18.556 14.329  1.000 21.124 0 164 CYS A SG  1 ? 
ATOM   1260 N N   . GLY A 1 165 ? -0.651  -21.599 16.284  1.000 17.117 0 165 GLY A N   1 ? 
ATOM   1261 C CA  . GLY A 1 165 ? -0.327  -22.968 15.929  1.000 17.163 0 165 GLY A CA  1 ? 
ATOM   1262 C C   . GLY A 1 165 ? -0.808  -23.272 14.511  1.000 16.872 0 165 GLY A C   1 ? 
ATOM   1263 O O   . GLY A 1 165 ? -1.497  -22.467 13.882  1.000 17.467 0 165 GLY A O   1 ? 
ATOM   1264 N N   . PRO A 1 166 ? -0.538  -24.497 14.037  1.000 15.723 0 166 PRO A N   1 ? 
ATOM   1265 C CA  . PRO A 1 166 ? -1.151  -24.968 12.813  1.000 15.123 0 166 PRO A CA  1 ? 
ATOM   1266 C C   . PRO A 1 166 ? -2.658  -25.096 13.000  1.000 16.082 0 166 PRO A C   1 ? 
ATOM   1267 O O   . PRO A 1 166 ? -3.147  -25.259 14.136  1.000 17.050 0 166 PRO A O   1 ? 
ATOM   1268 C CB  . PRO A 1 166 ? -0.482  -26.334 12.550  1.000 17.353 0 166 PRO A CB  1 ? 
ATOM   1269 C CG  . PRO A 1 166 ? 0.149   -26.727 13.862  1.000 20.659 0 166 PRO A CG  1 ? 
ATOM   1270 C CD  . PRO A 1 166 ? 0.212   -25.531 14.764  1.000 17.468 0 166 PRO A CD  1 ? 
ATOM   1271 N N   . THR A 1 167 ? -3.399  -25.055 11.899  1.000 15.385 0 167 THR A N   1 ? 
ATOM   1272 C CA  . THR A 1 167 ? -4.856  -25.066 11.909  1.000 14.234 0 167 THR A CA  1 ? 
ATOM   1273 C C   . THR A 1 167 ? -5.338  -26.107 10.903  1.000 14.351 0 167 THR A C   1 ? 
ATOM   1274 O O   . THR A 1 167 ? -4.540  -26.600 10.086  1.000 15.779 0 167 THR A O   1 ? 
ATOM   1275 C CB  . THR A 1 167 ? -5.373  -23.656 11.587  1.000 16.252 0 167 THR A CB  1 ? 
ATOM   1276 O OG1 . THR A 1 167 ? -4.994  -23.407 10.212  1.000 14.736 0 167 THR A OG1 1 ? 
ATOM   1277 C CG2 . THR A 1 167 ? -4.820  -22.606 12.521  1.000 15.372 0 167 THR A CG2 1 ? 
ATOM   1278 N N   . GLU A 1 168 ? -6.637  -26.396 10.868  1.000 14.606 0 168 GLU A N   1 ? 
ATOM   1279 C CA  A GLU A 1 168 ? -7.195  -27.308 9.884   0.420 16.342 0 168 GLU A CA  1 ? 
ATOM   1280 C CA  B GLU A 1 168 ? -7.144  -27.330 9.890   0.580 15.477 0 168 GLU A CA  1 ? 
ATOM   1281 C C   . GLU A 1 168 ? -6.842  -26.801 8.483   1.000 15.192 0 168 GLU A C   1 ? 
ATOM   1282 O O   . GLU A 1 168 ? -6.530  -27.568 7.575   1.000 16.634 0 168 GLU A O   1 ? 
ATOM   1283 C CB  A GLU A 1 168 ? -8.719  -27.385 9.985   0.420 20.960 0 168 GLU A CB  1 ? 
ATOM   1284 C CB  B GLU A 1 168 ? -8.626  -27.572 10.138  0.580 19.087 0 168 GLU A CB  1 ? 
ATOM   1285 C CG  A GLU A 1 168 ? -9.335  -28.586 9.262   0.420 25.790 0 168 GLU A CG  1 ? 
ATOM   1286 C CG  B GLU A 1 168 ? -8.887  -28.604 11.232  0.580 22.917 0 168 GLU A CG  1 ? 
ATOM   1287 C CD  A GLU A 1 168 ? -10.772 -28.428 8.768   0.420 31.150 0 168 GLU A CD  1 ? 
ATOM   1288 C CD  B GLU A 1 168 ? -8.110  -29.908 11.027  0.580 25.630 0 168 GLU A CD  1 ? 
ATOM   1289 O OE1 A GLU A 1 168 ? -11.679 -27.922 9.477   0.420 34.273 0 168 GLU A OE1 1 ? 
ATOM   1290 O OE1 B GLU A 1 168 ? -8.495  -30.600 10.061  0.580 29.120 0 168 GLU A OE1 1 ? 
ATOM   1291 O OE2 A GLU A 1 168 ? -10.994 -28.861 7.618   0.420 39.667 0 168 GLU A OE2 1 ? 
ATOM   1292 O OE2 B GLU A 1 168 ? -7.051  -30.148 11.693  0.580 24.468 0 168 GLU A OE2 1 ? 
ATOM   1293 N N   . TYR A 1 169 ? -6.884  -25.477 8.325   1.000 14.016 0 169 TYR A N   1 ? 
ATOM   1294 C CA  . TYR A 1 169 ? -6.612  -24.913 7.013   1.000 14.206 0 169 TYR A CA  1 ? 
ATOM   1295 C C   . TYR A 1 169 ? -5.136  -24.961 6.676   1.000 13.842 0 169 TYR A C   1 ? 
ATOM   1296 O O   . TYR A 1 169 ? -4.822  -25.261 5.524   1.000 14.882 0 169 TYR A O   1 ? 
ATOM   1297 C CB  . TYR A 1 169 ? -7.156  -23.498 6.961   1.000 14.440 0 169 TYR A CB  1 ? 
ATOM   1298 C CG  . TYR A 1 169 ? -8.663  -23.372 7.105   1.000 13.186 0 169 TYR A CG  1 ? 
ATOM   1299 C CD1 . TYR A 1 169 ? -9.534  -24.050 6.264   1.000 15.577 0 169 TYR A CD1 1 ? 
ATOM   1300 C CD2 . TYR A 1 169 ? -9.213  -22.617 8.141   1.000 14.512 0 169 TYR A CD2 1 ? 
ATOM   1301 C CE1 . TYR A 1 169 ? -10.898 -23.949 6.428   1.000 16.754 0 169 TYR A CE1 1 ? 
ATOM   1302 C CE2 . TYR A 1 169 ? -10.578 -22.458 8.288   1.000 15.337 0 169 TYR A CE2 1 ? 
ATOM   1303 C CZ  . TYR A 1 169 ? -11.409 -23.136 7.423   1.000 17.635 0 169 TYR A CZ  1 ? 
ATOM   1304 O OH  . TYR A 1 169 ? -12.751 -23.022 7.554   1.000 18.038 0 169 TYR A OH  1 ? 
ATOM   1305 N N   . SER A 1 170 ? -4.234  -24.589 7.572   1.000 13.234 0 170 SER A N   1 ? 
ATOM   1306 C CA  . SER A 1 170 ? -2.815  -24.649 7.260   1.000 13.750 0 170 SER A CA  1 ? 
ATOM   1307 C C   . SER A 1 170 ? -2.417  -26.085 6.940   1.000 13.972 0 170 SER A C   1 ? 
ATOM   1308 O O   . SER A 1 170 ? -1.596  -26.329 6.034   1.000 15.544 0 170 SER A O   1 ? 
ATOM   1309 C CB  . SER A 1 170 ? -1.946  -24.060 8.323   1.000 14.756 0 170 SER A CB  1 ? 
ATOM   1310 O OG  . SER A 1 170 ? -1.802  -24.912 9.471   1.000 15.064 0 170 SER A OG  1 ? 
ATOM   1311 N N   . ARG A 1 171 ? -3.023  -27.063 7.629   1.000 14.734 0 171 ARG A N   1 ? 
ATOM   1312 C CA  . ARG A 1 171 ? -2.601  -28.449 7.444   1.000 15.172 0 171 ARG A CA  1 ? 
ATOM   1313 C C   . ARG A 1 171 ? -2.999  -28.935 6.050   1.000 15.433 0 171 ARG A C   1 ? 
ATOM   1314 O O   . ARG A 1 171 ? -2.363  -29.869 5.537   1.000 17.101 0 171 ARG A O   1 ? 
ATOM   1315 C CB  . ARG A 1 171 ? -3.219  -29.357 8.526   1.000 17.841 0 171 ARG A CB  1 ? 
ATOM   1316 C CG  . ARG A 1 171 ? -2.562  -29.197 9.870   1.000 18.833 0 171 ARG A CG  1 ? 
ATOM   1317 C CD  . ARG A 1 171 ? -3.261  -30.190 10.853  1.000 20.806 0 171 ARG A CD  1 ? 
ATOM   1318 N NE  . ARG A 1 171 ? -2.724  -29.950 12.190  1.000 23.571 0 171 ARG A NE  1 ? 
ATOM   1319 C CZ  . ARG A 1 171 ? -3.321  -29.237 13.150  1.000 22.054 0 171 ARG A CZ  1 ? 
ATOM   1320 N NH1 . ARG A 1 171 ? -4.522  -28.724 12.964  1.000 21.964 0 171 ARG A NH1 1 ? 
ATOM   1321 N NH2 . ARG A 1 171 ? -2.711  -29.100 14.311  1.000 27.936 0 171 ARG A NH2 1 ? 
ATOM   1322 N N   . PHE A 1 172 ? -4.042  -28.370 5.466   1.000 14.783 0 172 PHE A N   1 ? 
ATOM   1323 C CA  . PHE A 1 172 ? -4.460  -28.672 4.116   1.000 15.208 0 172 PHE A CA  1 ? 
ATOM   1324 C C   . PHE A 1 172 ? -3.310  -28.349 3.163   1.000 15.370 0 172 PHE A C   1 ? 
ATOM   1325 O O   . PHE A 1 172 ? -2.930  -29.159 2.316   1.000 15.644 0 172 PHE A O   1 ? 
ATOM   1326 C CB  . PHE A 1 172 ? -5.782  -27.969 3.791   1.000 17.856 0 172 PHE A CB  1 ? 
ATOM   1327 C CG  . PHE A 1 172 ? -6.001  -27.865 2.301   1.000 16.548 0 172 PHE A CG  1 ? 
ATOM   1328 C CD1 . PHE A 1 172 ? -6.384  -28.986 1.581   1.000 17.132 0 172 PHE A CD1 1 ? 
ATOM   1329 C CD2 . PHE A 1 172 ? -5.746  -26.689 1.627   1.000 17.952 0 172 PHE A CD2 1 ? 
ATOM   1330 C CE1 . PHE A 1 172 ? -6.557  -28.923 0.202   1.000 20.556 0 172 PHE A CE1 1 ? 
ATOM   1331 C CE2 . PHE A 1 172 ? -5.882  -26.649 0.251   1.000 18.138 0 172 PHE A CE2 1 ? 
ATOM   1332 C CZ  . PHE A 1 172 ? -6.301  -27.758 -0.457  1.000 18.870 0 172 PHE A CZ  1 ? 
ATOM   1333 N N   . PHE A 1 173 ? -2.846  -27.101 3.238   1.000 14.749 0 173 PHE A N   1 ? 
ATOM   1334 C CA  . PHE A 1 173 ? -1.774  -26.690 2.356   1.000 14.048 0 173 PHE A CA  1 ? 
ATOM   1335 C C   . PHE A 1 173 ? -0.571  -27.568 2.597   1.000 15.315 0 173 PHE A C   1 ? 
ATOM   1336 O O   . PHE A 1 173 ? 0.099   -27.920 1.658   1.000 16.520 0 173 PHE A O   1 ? 
ATOM   1337 C CB  . PHE A 1 173 ? -1.460  -25.209 2.508   1.000 14.780 0 173 PHE A CB  1 ? 
ATOM   1338 C CG  . PHE A 1 173 ? -2.508  -24.248 2.006   1.000 14.229 0 173 PHE A CG  1 ? 
ATOM   1339 C CD1 . PHE A 1 173 ? -2.530  -23.866 0.678   1.000 13.829 0 173 PHE A CD1 1 ? 
ATOM   1340 C CD2 . PHE A 1 173 ? -3.526  -23.784 2.816   1.000 14.992 0 173 PHE A CD2 1 ? 
ATOM   1341 C CE1 . PHE A 1 173 ? -3.493  -23.004 0.195   1.000 15.866 0 173 PHE A CE1 1 ? 
ATOM   1342 C CE2 . PHE A 1 173 ? -4.486  -22.964 2.333   1.000 15.326 0 173 PHE A CE2 1 ? 
ATOM   1343 C CZ  . PHE A 1 173 ? -4.467  -22.577 1.016   1.000 15.224 0 173 PHE A CZ  1 ? 
ATOM   1344 N N   . LYS A 1 174 ? -0.266  -27.873 3.840   1.000 14.453 0 174 LYS A N   1 ? 
ATOM   1345 C CA  . LYS A 1 174 ? 0.935   -28.583 4.217   1.000 14.398 0 174 LYS A CA  1 ? 
ATOM   1346 C C   . LYS A 1 174 ? 0.888   -30.021 3.725   1.000 16.009 0 174 LYS A C   1 ? 
ATOM   1347 O O   . LYS A 1 174 ? 1.925   -30.536 3.323   1.000 18.453 0 174 LYS A O   1 ? 
ATOM   1348 C CB  . LYS A 1 174 ? 1.166   -28.490 5.728   1.000 15.144 0 174 LYS A CB  1 ? 
ATOM   1349 C CG  . LYS A 1 174 ? 2.583   -28.883 6.126   1.000 16.783 0 174 LYS A CG  1 ? 
ATOM   1350 C CD  . LYS A 1 174 ? 3.608   -27.879 5.629   1.000 18.807 0 174 LYS A CD  1 ? 
ATOM   1351 C CE  . LYS A 1 174 ? 4.961   -28.006 6.246   1.000 20.761 0 174 LYS A CE  1 ? 
ATOM   1352 N NZ  . LYS A 1 174 ? 5.853   -26.992 5.685   1.000 20.913 0 174 LYS A NZ  1 ? 
ATOM   1353 N N   . ARG A 1 175 ? -0.293  -30.636 3.772   1.000 16.269 0 175 ARG A N   1 ? 
ATOM   1354 C CA  . ARG A 1 175 ? -0.449  -32.006 3.302   1.000 18.185 0 175 ARG A CA  1 ? 
ATOM   1355 C C   . ARG A 1 175 ? -0.142  -32.075 1.806   1.000 19.717 0 175 ARG A C   1 ? 
ATOM   1356 O O   . ARG A 1 175 ? 0.481   -33.034 1.369   1.000 21.759 0 175 ARG A O   1 ? 
ATOM   1357 C CB  . ARG A 1 175 ? -1.885  -32.450 3.605   1.000 20.462 0 175 ARG A CB  1 ? 
ATOM   1358 C CG  . ARG A 1 175 ? -2.244  -33.831 3.097   1.000 25.659 0 175 ARG A CG  1 ? 
ATOM   1359 C CD  . ARG A 1 175 ? -3.631  -34.257 3.628   1.000 26.772 0 175 ARG A CD  1 ? 
ATOM   1360 N NE  . ARG A 1 175 ? -4.819  -33.451 3.284   1.000 30.154 0 175 ARG A NE  1 ? 
ATOM   1361 C CZ  . ARG A 1 175 ? -5.480  -33.569 2.121   1.000 30.769 0 175 ARG A CZ  1 ? 
ATOM   1362 N NH1 . ARG A 1 175 ? -4.990  -34.363 1.186   1.000 35.023 0 175 ARG A NH1 1 ? 
ATOM   1363 N NH2 . ARG A 1 175 ? -6.608  -32.919 1.910   1.000 34.099 0 175 ARG A NH2 1 ? 
ATOM   1364 N N   . LEU A 1 176 ? -0.623  -31.106 1.028   1.000 15.976 0 176 LEU A N   1 ? 
ATOM   1365 C CA  . LEU A 1 176 ? -0.443  -31.150 -0.421  1.000 16.943 0 176 LEU A CA  1 ? 
ATOM   1366 C C   . LEU A 1 176 ? 0.939   -30.663 -0.854  1.000 19.586 0 176 LEU A C   1 ? 
ATOM   1367 O O   . LEU A 1 176 ? 1.451   -31.156 -1.876  1.000 18.564 0 176 LEU A O   1 ? 
ATOM   1368 C CB  . LEU A 1 176 ? -1.565  -30.391 -1.097  1.000 19.872 0 176 LEU A CB  1 ? 
ATOM   1369 C CG  . LEU A 1 176 ? -2.905  -31.125 -1.073  1.000 27.098 0 176 LEU A CG  1 ? 
ATOM   1370 C CD1 . LEU A 1 176 ? -3.908  -30.363 -1.885  1.000 27.586 0 176 LEU A CD1 1 ? 
ATOM   1371 C CD2 . LEU A 1 176 ? -2.664  -32.537 -1.631  1.000 29.925 0 176 LEU A CD2 1 ? 
ATOM   1372 N N   . CYS A 1 177 ? 1.523   -29.734 -0.090  1.000 15.472 0 177 CYS A N   1 ? 
ATOM   1373 C CA  . CYS A 1 177 ? 2.814   -29.142 -0.408  1.000 17.399 0 177 CYS A CA  1 ? 
ATOM   1374 C C   . CYS A 1 177 ? 3.670   -29.030 0.837   1.000 16.577 0 177 CYS A C   1 ? 
ATOM   1375 O O   . CYS A 1 177 ? 3.779   -27.954 1.440   1.000 16.993 0 177 CYS A O   1 ? 
ATOM   1376 C CB  . CYS A 1 177 ? 2.666   -27.779 -1.060  1.000 16.553 0 177 CYS A CB  1 ? 
ATOM   1377 S SG  . CYS A 1 177 ? 2.172   -27.950 -2.789  1.000 17.006 0 177 CYS A SG  1 ? 
ATOM   1378 N N   . PRO A 1 178 ? 4.299   -30.137 1.251   1.000 16.508 0 178 PRO A N   1 ? 
ATOM   1379 C CA  . PRO A 1 178 ? 5.130   -30.085 2.446   1.000 19.147 0 178 PRO A CA  1 ? 
ATOM   1380 C C   . PRO A 1 178 ? 6.289   -29.120 2.421   1.000 18.811 0 178 PRO A C   1 ? 
ATOM   1381 O O   . PRO A 1 178 ? 6.757   -28.682 3.473   1.000 20.318 0 178 PRO A O   1 ? 
ATOM   1382 C CB  . PRO A 1 178 ? 5.658   -31.505 2.596   1.000 22.052 0 178 PRO A CB  1 ? 
ATOM   1383 C CG  . PRO A 1 178 ? 4.740   -32.337 1.770   1.000 24.128 0 178 PRO A CG  1 ? 
ATOM   1384 C CD  . PRO A 1 178 ? 4.139   -31.492 0.692   1.000 20.719 0 178 PRO A CD  1 ? 
ATOM   1385 N N   . ASP A 1 179 ? 6.798   -28.836 1.237   1.000 19.959 0 179 ASP A N   1 ? 
ATOM   1386 C CA  A ASP A 1 179 ? 8.020   -28.062 1.137   0.880 22.206 0 179 ASP A CA  1 ? 
ATOM   1387 C CA  B ASP A 1 179 ? 8.028   -28.073 1.134   0.120 20.067 0 179 ASP A CA  1 ? 
ATOM   1388 C C   . ASP A 1 179 ? 7.734   -26.574 0.995   1.000 21.473 0 179 ASP A C   1 ? 
ATOM   1389 O O   . ASP A 1 179 ? 8.634   -25.798 0.709   1.000 23.858 0 179 ASP A O   1 ? 
ATOM   1390 C CB  A ASP A 1 179 ? 8.844   -28.528 -0.047  0.880 27.446 0 179 ASP A CB  1 ? 
ATOM   1391 C CB  B ASP A 1 179 ? 8.912   -28.706 0.071   0.120 20.011 0 179 ASP A CB  1 ? 
ATOM   1392 C CG  A ASP A 1 179 ? 9.572   -29.833 0.207   0.880 35.649 0 179 ASP A CG  1 ? 
ATOM   1393 C CG  B ASP A 1 179 ? 9.103   -30.209 0.242   0.120 20.103 0 179 ASP A CG  1 ? 
ATOM   1394 O OD1 A ASP A 1 179 ? 9.850   -30.144 1.416   0.880 40.027 0 179 ASP A OD1 1 ? 
ATOM   1395 O OD1 B ASP A 1 179 ? 9.361   -30.646 1.394   0.120 20.549 0 179 ASP A OD1 1 ? 
ATOM   1396 O OD2 A ASP A 1 179 ? 9.784   -30.537 -0.795  0.880 33.447 0 179 ASP A OD2 1 ? 
ATOM   1397 O OD2 B ASP A 1 179 ? 8.990   -30.935 -0.769  0.120 18.962 0 179 ASP A OD2 1 ? 
ATOM   1398 N N   . ALA A 1 180 ? 6.483   -26.145 1.231   1.000 16.533 0 180 ALA A N   1 ? 
ATOM   1399 C CA  . ALA A 1 180 ? 6.132   -24.737 1.221   1.000 15.548 0 180 ALA A CA  1 ? 
ATOM   1400 C C   . ALA A 1 180 ? 5.629   -24.310 2.600   1.000 16.607 0 180 ALA A C   1 ? 
ATOM   1401 O O   . ALA A 1 180 ? 4.968   -25.082 3.279   1.000 16.981 0 180 ALA A O   1 ? 
ATOM   1402 C CB  . ALA A 1 180 ? 5.046   -24.455 0.227   1.000 15.698 0 180 ALA A CB  1 ? 
ATOM   1403 N N   . PHE A 1 181 ? 5.861   -23.052 2.954   1.000 14.939 0 181 PHE A N   1 ? 
ATOM   1404 C CA  . PHE A 1 181 ? 5.314   -22.545 4.202   1.000 15.875 0 181 PHE A CA  1 ? 
ATOM   1405 C C   . PHE A 1 181 ? 3.797   -22.563 4.163   1.000 15.543 0 181 PHE A C   1 ? 
ATOM   1406 O O   . PHE A 1 181 ? 3.198   -22.115 3.191   1.000 16.611 0 181 PHE A O   1 ? 
ATOM   1407 C CB  . PHE A 1 181 ? 5.723   -21.101 4.439   1.000 15.841 0 181 PHE A CB  1 ? 
ATOM   1408 C CG  . PHE A 1 181 ? 7.133   -20.928 4.937   1.000 18.658 0 181 PHE A CG  1 ? 
ATOM   1409 C CD1 . PHE A 1 181 ? 8.204   -20.849 4.074   1.000 20.149 0 181 PHE A CD1 1 ? 
ATOM   1410 C CD2 . PHE A 1 181 ? 7.361   -20.813 6.280   1.000 19.187 0 181 PHE A CD2 1 ? 
ATOM   1411 C CE1 . PHE A 1 181 ? 9.480   -20.674 4.571   1.000 22.252 0 181 PHE A CE1 1 ? 
ATOM   1412 C CE2 . PHE A 1 181 ? 8.650   -20.696 6.776   1.000 21.389 0 181 PHE A CE2 1 ? 
ATOM   1413 C CZ  . PHE A 1 181 ? 9.694   -20.577 5.914   1.000 24.457 0 181 PHE A CZ  1 ? 
ATOM   1414 N N   . SER A 1 182 ? 3.164   -23.067 5.248   1.000 14.729 0 182 SER A N   1 ? 
ATOM   1415 C CA  . SER A 1 182 ? 1.698   -23.168 5.312   1.000 14.395 0 182 SER A CA  1 ? 
ATOM   1416 C C   . SER A 1 182 ? 1.064   -22.169 6.265   1.000 15.248 0 182 SER A C   1 ? 
ATOM   1417 O O   . SER A 1 182 ? -0.129  -21.907 6.129   1.000 15.763 0 182 SER A O   1 ? 
ATOM   1418 C CB  . SER A 1 182 ? 1.239   -24.530 5.629   1.000 14.857 0 182 SER A CB  1 ? 
ATOM   1419 O OG  . SER A 1 182 ? 1.680   -24.957 6.922   1.000 16.431 0 182 SER A OG  1 ? 
ATOM   1420 N N   . TYR A 1 183 ? 1.850   -21.628 7.190   1.000 15.342 0 183 TYR A N   1 ? 
ATOM   1421 C CA  . TYR A 1 183 ? 1.404   -20.596 8.098   1.000 16.707 0 183 TYR A CA  1 ? 
ATOM   1422 C C   . TYR A 1 183 ? 2.654   -19.873 8.605   1.000 19.367 0 183 TYR A C   1 ? 
ATOM   1423 O O   . TYR A 1 183 ? 3.770   -20.351 8.394   1.000 18.403 0 183 TYR A O   1 ? 
ATOM   1424 C CB  . TYR A 1 183 ? 0.522   -21.152 9.220   1.000 16.810 0 183 TYR A CB  1 ? 
ATOM   1425 C CG  . TYR A 1 183 ? 1.230   -21.957 10.294  1.000 16.840 0 183 TYR A CG  1 ? 
ATOM   1426 C CD1 . TYR A 1 183 ? 1.708   -23.239 10.047  1.000 18.618 0 183 TYR A CD1 1 ? 
ATOM   1427 C CD2 . TYR A 1 183 ? 1.426   -21.422 11.585  1.000 17.866 0 183 TYR A CD2 1 ? 
ATOM   1428 C CE1 . TYR A 1 183 ? 2.342   -23.982 11.035  1.000 19.507 0 183 TYR A CE1 1 ? 
ATOM   1429 C CE2 . TYR A 1 183 ? 2.012   -22.186 12.584  1.000 18.120 0 183 TYR A CE2 1 ? 
ATOM   1430 C CZ  . TYR A 1 183 ? 2.505   -23.439 12.297  1.000 21.659 0 183 TYR A CZ  1 ? 
ATOM   1431 O OH  . TYR A 1 183 ? 3.114   -24.172 13.290  1.000 24.202 0 183 TYR A OH  1 ? 
ATOM   1432 N N   . VAL A 1 184 ? 2.471   -18.758 9.314   1.000 20.934 0 184 VAL A N   1 ? 
ATOM   1433 C CA  . VAL A 1 184 ? 3.594   -17.864 9.606   1.000 22.997 0 184 VAL A CA  1 ? 
ATOM   1434 C C   . VAL A 1 184 ? 4.671   -18.595 10.415  1.000 21.770 0 184 VAL A C   1 ? 
ATOM   1435 O O   . VAL A 1 184 ? 5.842   -18.402 10.125  1.000 24.200 0 184 VAL A O   1 ? 
ATOM   1436 C CB  . VAL A 1 184 ? 3.118   -16.576 10.315  1.000 26.157 0 184 VAL A CB  1 ? 
ATOM   1437 C CG1 . VAL A 1 184 ? 4.264   -15.826 10.993  1.000 27.809 0 184 VAL A CG1 1 ? 
ATOM   1438 C CG2 . VAL A 1 184 ? 2.326   -15.692 9.374   1.000 28.461 0 184 VAL A CG2 1 ? 
ATOM   1439 N N   . LEU A 1 185 ? 4.334   -19.439 11.398  1.000 20.742 0 185 LEU A N   1 ? 
ATOM   1440 C CA  . LEU A 1 185 ? 5.322   -20.070 12.280  1.000 22.692 0 185 LEU A CA  1 ? 
ATOM   1441 C C   . LEU A 1 185 ? 5.594   -21.506 11.890  1.000 22.831 0 185 LEU A C   1 ? 
ATOM   1442 O O   . LEU A 1 185 ? 6.007   -22.319 12.697  1.000 23.685 0 185 LEU A O   1 ? 
ATOM   1443 C CB  . LEU A 1 185 ? 4.965   -20.011 13.770  1.000 26.728 0 185 LEU A CB  1 ? 
ATOM   1444 C CG  . LEU A 1 185 ? 4.993   -18.623 14.403  1.000 30.057 0 185 LEU A CG  1 ? 
ATOM   1445 C CD1 . LEU A 1 185 ? 4.496   -18.755 15.829  1.000 28.469 0 185 LEU A CD1 1 ? 
ATOM   1446 C CD2 . LEU A 1 185 ? 6.342   -17.925 14.348  1.000 37.101 0 185 LEU A CD2 1 ? 
ATOM   1447 N N   . ASP A 1 186 ? 5.323   -21.857 10.633  1.000 20.179 0 186 ASP A N   1 ? 
ATOM   1448 C CA  . ASP A 1 186 ? 5.593   -23.192 10.181  1.000 19.593 0 186 ASP A CA  1 ? 
ATOM   1449 C C   . ASP A 1 186 ? 7.090   -23.475 10.354  1.000 21.240 0 186 ASP A C   1 ? 
ATOM   1450 O O   . ASP A 1 186 ? 7.887   -22.535 10.278  1.000 23.595 0 186 ASP A O   1 ? 
ATOM   1451 C CB  . ASP A 1 186 ? 5.220   -23.301 8.712   1.000 18.537 0 186 ASP A CB  1 ? 
ATOM   1452 C CG  . ASP A 1 186 ? 4.854   -24.685 8.226   1.000 19.719 0 186 ASP A CG  1 ? 
ATOM   1453 O OD1 . ASP A 1 186 ? 5.047   -25.662 8.974   1.000 21.004 0 186 ASP A OD1 1 ? 
ATOM   1454 O OD2 . ASP A 1 186 ? 4.386   -24.797 7.090   1.000 18.620 0 186 ASP A OD2 1 ? 
ATOM   1455 N N   . LYS A 1 187 ? 7.444   -24.735 10.540  1.000 23.855 0 187 LYS A N   1 ? 
ATOM   1456 C CA  . LYS A 1 187 ? 8.846   -25.128 10.541  1.000 25.436 0 187 LYS A CA  1 ? 
ATOM   1457 C C   . LYS A 1 187 ? 9.441   -24.713 9.188   1.000 23.230 0 187 LYS A C   1 ? 
ATOM   1458 O O   . LYS A 1 187 ? 8.900   -25.064 8.143   1.000 24.860 0 187 LYS A O   1 ? 
ATOM   1459 C CB  . LYS A 1 187 ? 9.027   -26.629 10.789  1.000 29.909 0 187 LYS A CB  1 ? 
ATOM   1460 C CG  . LYS A 1 187 ? 10.491  -27.010 11.044  1.000 40.379 0 187 LYS A CG  1 ? 
ATOM   1461 C CD  . LYS A 1 187 ? 10.734  -28.513 11.127  1.000 51.671 0 187 LYS A CD  1 ? 
ATOM   1462 C CE  . LYS A 1 187 ? 10.592  -29.185 9.788   1.000 57.603 0 187 LYS A CE  1 ? 
ATOM   1463 N NZ  . LYS A 1 187 ? 11.454  -30.367 9.729   0.900 59.098 0 187 LYS A NZ  1 ? 
ATOM   1464 N N   . PRO A 1 188 ? 10.512  -23.900 9.167   1.000 25.406 0 188 PRO A N   1 ? 
ATOM   1465 C CA  . PRO A 1 188 ? 10.991  -23.315 7.910   1.000 27.128 0 188 PRO A CA  1 ? 
ATOM   1466 C C   . PRO A 1 188 ? 11.388  -24.343 6.875   1.000 25.103 0 188 PRO A C   1 ? 
ATOM   1467 O O   . PRO A 1 188 ? 11.985  -25.361 7.196   1.000 25.673 0 188 PRO A O   1 ? 
ATOM   1468 C CB  . PRO A 1 188 ? 12.160  -22.440 8.346   1.000 30.250 0 188 PRO A CB  1 ? 
ATOM   1469 C CG  . PRO A 1 188 ? 11.798  -22.094 9.764   1.000 34.960 0 188 PRO A CG  1 ? 
ATOM   1470 C CD  . PRO A 1 188 ? 11.244  -23.392 10.346  1.000 31.634 0 188 PRO A CD  1 ? 
ATOM   1471 N N   . THR A 1 189 ? 10.970  -24.072 5.632   1.000 23.719 0 189 THR A N   1 ? 
ATOM   1472 C CA  . THR A 1 189 ? 11.339  -24.890 4.482   1.000 24.711 0 189 THR A CA  1 ? 
ATOM   1473 C C   . THR A 1 189 ? 12.295  -24.107 3.600   1.000 23.867 0 189 THR A C   1 ? 
ATOM   1474 O O   . THR A 1 189 ? 12.450  -24.441 2.438   1.000 24.202 0 189 THR A O   1 ? 
ATOM   1475 C CB  . THR A 1 189 ? 10.082  -25.309 3.732   1.000 25.817 0 189 THR A CB  1 ? 
ATOM   1476 O OG1 . THR A 1 189 ? 9.327   -24.139 3.503   1.000 28.117 0 189 THR A OG1 1 ? 
ATOM   1477 C CG2 . THR A 1 189 ? 9.300   -26.325 4.537   1.000 28.885 0 189 THR A CG2 1 ? 
ATOM   1478 N N   . THR A 1 190 ? 12.937  -23.094 4.190   1.000 21.800 0 190 THR A N   1 ? 
ATOM   1479 C CA  . THR A 1 190 ? 13.891  -22.277 3.467   1.000 21.467 0 190 THR A CA  1 ? 
ATOM   1480 C C   . THR A 1 190 ? 15.081  -23.148 3.064   1.000 24.468 0 190 THR A C   1 ? 
ATOM   1481 O O   . THR A 1 190 ? 15.554  -23.998 3.841   1.000 23.045 0 190 THR A O   1 ? 
ATOM   1482 C CB  . THR A 1 190 ? 14.303  -21.115 4.377   1.000 25.604 0 190 THR A CB  1 ? 
ATOM   1483 O OG1 . THR A 1 190 ? 13.091  -20.487 4.810   1.000 27.860 0 190 THR A OG1 1 ? 
ATOM   1484 C CG2 . THR A 1 190 ? 15.116  -20.064 3.644   1.000 26.742 0 190 THR A CG2 1 ? 
ATOM   1485 N N   . VAL A 1 191 ? 15.590  -22.875 1.860   1.000 19.661 0 191 VAL A N   1 ? 
ATOM   1486 C CA  . VAL A 1 191 ? 16.813  -23.459 1.344   1.000 21.877 0 191 VAL A CA  1 ? 
ATOM   1487 C C   . VAL A 1 191 ? 17.898  -22.402 1.315   1.000 19.507 0 191 VAL A C   1 ? 
ATOM   1488 O O   . VAL A 1 191 ? 17.707  -21.251 0.864   1.000 20.861 0 191 VAL A O   1 ? 
ATOM   1489 C CB  . VAL A 1 191 ? 16.559  -24.007 -0.070  1.000 22.754 0 191 VAL A CB  1 ? 
ATOM   1490 C CG1 . VAL A 1 191 ? 17.853  -24.476 -0.725  1.000 25.391 0 191 VAL A CG1 1 ? 
ATOM   1491 C CG2 . VAL A 1 191 ? 15.510  -25.111 -0.020  1.000 24.594 0 191 VAL A CG2 1 ? 
ATOM   1492 N N   . THR A 1 192 ? 19.085  -22.827 1.785   1.000 23.176 0 192 THR A N   1 ? 
ATOM   1493 C CA  . THR A 1 192 ? 20.258  -21.987 1.794   1.000 23.539 0 192 THR A CA  1 ? 
ATOM   1494 C C   . THR A 1 192 ? 21.081  -22.359 0.568   1.000 20.958 0 192 THR A C   1 ? 
ATOM   1495 O O   . THR A 1 192 ? 21.456  -23.508 0.403   1.000 24.152 0 192 THR A O   1 ? 
ATOM   1496 C CB  . THR A 1 192 ? 21.100  -22.198 3.057   1.000 24.960 0 192 THR A CB  1 ? 
ATOM   1497 O OG1 . THR A 1 192 ? 20.281  -21.936 4.183   1.000 27.828 0 192 THR A OG1 1 ? 
ATOM   1498 C CG2 . THR A 1 192 ? 22.274  -21.239 3.071   1.000 25.915 0 192 THR A CG2 1 ? 
ATOM   1499 N N   . CYS A 1 193 ? 21.318  -21.357 -0.261  1.000 20.914 0 193 CYS A N   1 ? 
ATOM   1500 C CA  . CYS A 1 193 ? 22.141  -21.504 -1.441  1.000 22.563 0 193 CYS A CA  1 ? 
ATOM   1501 C C   . CYS A 1 193 ? 23.374  -20.619 -1.333  1.000 21.722 0 193 CYS A C   1 ? 
ATOM   1502 O O   . CYS A 1 193 ? 23.398  -19.603 -0.631  1.000 21.819 0 193 CYS A O   1 ? 
ATOM   1503 C CB  . CYS A 1 193 ? 21.411  -21.026 -2.682  1.000 23.953 0 193 CYS A CB  1 ? 
ATOM   1504 S SG  . CYS A 1 193 ? 20.059  -22.120 -3.140  1.000 24.309 0 193 CYS A SG  1 ? 
ATOM   1505 N N   . PRO A 1 194 ? 24.422  -20.896 -2.135  1.000 25.017 0 194 PRO A N   1 ? 
ATOM   1506 C CA  . PRO A 1 194 ? 25.555  -19.984 -2.179  1.000 25.428 0 194 PRO A CA  1 ? 
ATOM   1507 C C   . PRO A 1 194 ? 25.114  -18.587 -2.529  1.000 24.613 0 194 PRO A C   1 ? 
ATOM   1508 O O   . PRO A 1 194 ? 24.257  -18.393 -3.383  1.000 23.275 0 194 PRO A O   1 ? 
ATOM   1509 C CB  . PRO A 1 194 ? 26.429  -20.599 -3.282  1.000 27.981 0 194 PRO A CB  1 ? 
ATOM   1510 C CG  . PRO A 1 194 ? 26.147  -22.058 -3.156  1.000 27.282 0 194 PRO A CG  1 ? 
ATOM   1511 C CD  . PRO A 1 194 ? 24.607  -22.103 -2.957  1.000 27.059 0 194 PRO A CD  1 ? 
ATOM   1512 N N   . GLY A 1 195 ? 25.771  -17.594 -1.930  1.000 23.109 0 195 GLY A N   1 ? 
ATOM   1513 C CA  . GLY A 1 195 ? 25.540  -16.224 -2.341  1.000 21.351 0 195 GLY A CA  1 ? 
ATOM   1514 C C   . GLY A 1 195 ? 25.775  -16.039 -3.836  1.000 23.908 0 195 GLY A C   1 ? 
ATOM   1515 O O   . GLY A 1 195 ? 26.670  -16.670 -4.397  1.000 27.030 0 195 GLY A O   1 ? 
ATOM   1516 N N   . SER A 1 196 ? 24.957  -15.187 -4.464  1.000 21.620 0 196 SER A N   1 ? 
ATOM   1517 C CA  . SER A 1 196 ? 25.079  -14.899 -5.882  1.000 22.678 0 196 SER A CA  1 ? 
ATOM   1518 C C   . SER A 1 196 ? 24.764  -16.090 -6.792  1.000 24.184 0 196 SER A C   1 ? 
ATOM   1519 O O   . SER A 1 196 ? 25.249  -16.132 -7.940  1.000 23.431 0 196 SER A O   1 ? 
ATOM   1520 C CB  . SER A 1 196 ? 26.457  -14.363 -6.207  1.000 24.950 0 196 SER A CB  1 ? 
ATOM   1521 O OG  . SER A 1 196 ? 26.562  -13.064 -5.658  1.000 27.750 0 196 SER A OG  1 ? 
ATOM   1522 N N   . SER A 1 197 ? 23.882  -17.006 -6.355  1.000 22.170 0 197 SER A N   1 ? 
ATOM   1523 C CA  . SER A 1 197 ? 23.331  -18.039 -7.221  1.000 19.809 0 197 SER A CA  1 ? 
ATOM   1524 C C   . SER A 1 197 ? 22.362  -17.415 -8.225  1.000 17.292 0 197 SER A C   1 ? 
ATOM   1525 O O   . SER A 1 197 ? 21.925  -16.276 -8.069  1.000 20.877 0 197 SER A O   1 ? 
ATOM   1526 C CB  . SER A 1 197 ? 22.642  -19.078 -6.369  1.000 20.986 0 197 SER A CB  1 ? 
ATOM   1527 O OG  . SER A 1 197 ? 23.552  -19.830 -5.550  1.000 23.582 0 197 SER A OG  1 ? 
ATOM   1528 N N   . ASN A 1 198 ? 22.051  -18.165 -9.271  1.000 19.058 0 198 ASN A N   1 ? 
ATOM   1529 C CA  . ASN A 1 198 ? 21.035  -17.800 -10.250 1.000 19.101 0 198 ASN A CA  1 ? 
ATOM   1530 C C   . ASN A 1 198 ? 19.920  -18.827 -10.195 1.000 16.668 0 198 ASN A C   1 ? 
ATOM   1531 O O   . ASN A 1 198 ? 20.082  -19.931 -9.733  1.000 17.004 0 198 ASN A O   1 ? 
ATOM   1532 C CB  . ASN A 1 198 ? 21.581  -17.732 -11.673 1.000 19.520 0 198 ASN A CB  1 ? 
ATOM   1533 C CG  . ASN A 1 198 ? 22.608  -16.639 -11.834 1.000 21.527 0 198 ASN A CG  1 ? 
ATOM   1534 O OD1 . ASN A 1 198 ? 22.448  -15.519 -11.345 1.000 22.302 0 198 ASN A OD1 1 ? 
ATOM   1535 N ND2 . ASN A 1 198 ? 23.644  -16.936 -12.613 1.000 27.481 0 198 ASN A ND2 1 ? 
ATOM   1536 N N   . TYR A 1 199 ? 18.740  -18.432 -10.689 1.000 17.812 0 199 TYR A N   1 ? 
ATOM   1537 C CA  . TYR A 1 199 ? 17.558  -19.256 -10.433 1.000 16.906 0 199 TYR A CA  1 ? 
ATOM   1538 C C   . TYR A 1 199 ? 16.616  -19.321 -11.635 1.000 14.635 0 199 TYR A C   1 ? 
ATOM   1539 O O   . TYR A 1 199 ? 16.636  -18.473 -12.513 1.000 16.273 0 199 TYR A O   1 ? 
ATOM   1540 C CB  . TYR A 1 199 ? 16.769  -18.616 -9.269  1.000 17.561 0 199 TYR A CB  1 ? 
ATOM   1541 C CG  . TYR A 1 199 ? 17.601  -18.529 -7.993  1.000 16.450 0 199 TYR A CG  1 ? 
ATOM   1542 C CD1 . TYR A 1 199 ? 17.722  -19.623 -7.141  1.000 15.628 0 199 TYR A CD1 1 ? 
ATOM   1543 C CD2 . TYR A 1 199 ? 18.264  -17.360 -7.658  1.000 18.339 0 199 TYR A CD2 1 ? 
ATOM   1544 C CE1 . TYR A 1 199 ? 18.476  -19.548 -5.967  1.000 16.739 0 199 TYR A CE1 1 ? 
ATOM   1545 C CE2 . TYR A 1 199 ? 19.018  -17.278 -6.497  1.000 19.262 0 199 TYR A CE2 1 ? 
ATOM   1546 C CZ  . TYR A 1 199 ? 19.145  -18.378 -5.678  1.000 18.200 0 199 TYR A CZ  1 ? 
ATOM   1547 O OH  . TYR A 1 199 ? 19.915  -18.342 -4.527  1.000 20.091 0 199 TYR A OH  1 ? 
ATOM   1548 N N   . ARG A 1 200 ? 15.712  -20.309 -11.584 1.000 16.232 0 200 ARG A N   1 ? 
ATOM   1549 C CA  . ARG A 1 200 ? 14.600  -20.419 -12.505 1.000 15.098 0 200 ARG A CA  1 ? 
ATOM   1550 C C   . ARG A 1 200 ? 13.330  -20.681 -11.703 1.000 16.374 0 200 ARG A C   1 ? 
ATOM   1551 O O   . ARG A 1 200 ? 13.331  -21.541 -10.820 1.000 17.421 0 200 ARG A O   1 ? 
ATOM   1552 C CB  . ARG A 1 200 ? 14.777  -21.575 -13.477 1.000 16.690 0 200 ARG A CB  1 ? 
ATOM   1553 C CG  . ARG A 1 200 ? 13.643  -21.755 -14.472 1.000 17.593 0 200 ARG A CG  1 ? 
ATOM   1554 C CD  . ARG A 1 200 ? 13.901  -22.851 -15.493 1.000 21.869 0 200 ARG A CD  1 ? 
ATOM   1555 N NE  . ARG A 1 200 ? 14.990  -22.464 -16.387 1.000 22.160 0 200 ARG A NE  1 ? 
ATOM   1556 C CZ  . ARG A 1 200 ? 16.142  -23.071 -16.547 1.000 27.176 0 200 ARG A CZ  1 ? 
ATOM   1557 N NH1 . ARG A 1 200 ? 16.504  -24.093 -15.821 1.000 29.465 0 200 ARG A NH1 1 ? 
ATOM   1558 N NH2 . ARG A 1 200 ? 16.971  -22.612 -17.464 1.000 28.973 0 200 ARG A NH2 1 ? 
ATOM   1559 N N   . VAL A 1 201 ? 12.308  -19.901 -12.047 1.000 14.479 0 201 VAL A N   1 ? 
ATOM   1560 C CA  . VAL A 1 201 ? 10.958  -20.098 -11.523 1.000 15.036 0 201 VAL A CA  1 ? 
ATOM   1561 C C   . VAL A 1 201 ? 10.108  -20.609 -12.667 1.000 14.207 0 201 VAL A C   1 ? 
ATOM   1562 O O   . VAL A 1 201 ? 9.979   -19.925 -13.682 1.000 15.005 0 201 VAL A O   1 ? 
ATOM   1563 C CB  . VAL A 1 201 ? 10.364  -18.807 -10.962 1.000 15.413 0 201 VAL A CB  1 ? 
ATOM   1564 C CG1 . VAL A 1 201 ? 8.957   -19.093 -10.484 1.000 18.118 0 201 VAL A CG1 1 ? 
ATOM   1565 C CG2 . VAL A 1 201 ? 11.198  -18.257 -9.814  1.000 17.003 0 201 VAL A CG2 1 ? 
ATOM   1566 N N   . THR A 1 202 ? 9.538   -21.790 -12.487 1.000 13.747 0 202 THR A N   1 ? 
ATOM   1567 C CA  . THR A 1 202 ? 8.726   -22.430 -13.512 1.000 14.907 0 202 THR A CA  1 ? 
ATOM   1568 C C   . THR A 1 202 ? 7.291   -22.544 -13.011 1.000 15.617 0 202 THR A C   1 ? 
ATOM   1569 O O   . THR A 1 202 ? 7.068   -23.210 -11.992 1.000 16.036 0 202 THR A O   1 ? 
ATOM   1570 C CB  . THR A 1 202 ? 9.233   -23.819 -13.883 1.000 16.139 0 202 THR A CB  1 ? 
ATOM   1571 O OG1 . THR A 1 202 ? 10.608  -23.698 -14.244 1.000 17.466 0 202 THR A OG1 1 ? 
ATOM   1572 C CG2 . THR A 1 202 ? 8.462   -24.426 -15.040 1.000 17.331 0 202 THR A CG2 1 ? 
ATOM   1573 N N   . PHE A 1 203 ? 6.386   -21.880 -13.708 1.000 14.076 0 203 PHE A N   1 ? 
ATOM   1574 C CA  . PHE A 1 203 ? 4.961   -22.067 -13.451 1.000 13.489 0 203 PHE A CA  1 ? 
ATOM   1575 C C   . PHE A 1 203 ? 4.482   -23.338 -14.123 1.000 14.129 0 203 PHE A C   1 ? 
ATOM   1576 O O   . PHE A 1 203 ? 4.854   -23.610 -15.265 1.000 14.401 0 203 PHE A O   1 ? 
ATOM   1577 C CB  . PHE A 1 203 ? 4.158   -20.863 -13.893 1.000 14.024 0 203 PHE A CB  1 ? 
ATOM   1578 C CG  . PHE A 1 203 ? 4.627   -19.535 -13.340 1.000 14.915 0 203 PHE A CG  1 ? 
ATOM   1579 C CD1 . PHE A 1 203 ? 4.647   -19.312 -11.976 1.000 17.174 0 203 PHE A CD1 1 ? 
ATOM   1580 C CD2 . PHE A 1 203 ? 5.066   -18.520 -14.168 1.000 16.721 0 203 PHE A CD2 1 ? 
ATOM   1581 C CE1 . PHE A 1 203 ? 5.089   -18.083 -11.468 1.000 17.380 0 203 PHE A CE1 1 ? 
ATOM   1582 C CE2 . PHE A 1 203 ? 5.430   -17.286 -13.650 1.000 18.770 0 203 PHE A CE2 1 ? 
ATOM   1583 C CZ  . PHE A 1 203 ? 5.473   -17.097 -12.288 1.000 16.916 0 203 PHE A CZ  1 ? 
ATOM   1584 N N   . CYS A 1 204 ? 3.615   -24.109 -13.438 1.000 13.819 0 204 CYS A N   1 ? 
ATOM   1585 C CA  . CYS A 1 204 ? 3.088   -25.397 -13.908 1.000 14.814 0 204 CYS A CA  1 ? 
ATOM   1586 C C   . CYS A 1 204 ? 4.203   -26.357 -14.299 1.000 16.591 0 204 CYS A C   1 ? 
ATOM   1587 O O   . CYS A 1 204 ? 4.306   -26.815 -15.447 1.000 17.020 0 204 CYS A O   1 ? 
ATOM   1588 C CB  . CYS A 1 204 ? 2.093   -25.244 -15.062 1.000 15.617 0 204 CYS A CB  1 ? 
ATOM   1589 S SG  . CYS A 1 204 ? 0.681   -24.184 -14.665 1.000 16.248 0 204 CYS A SG  1 ? 
ATOM   1590 N N   . PRO A 1 205 ? 5.083   -26.711 -13.357 1.000 15.828 0 205 PRO A N   1 ? 
ATOM   1591 C CA  . PRO A 1 205 ? 6.263   -27.502 -13.677 1.000 17.890 0 205 PRO A CA  1 ? 
ATOM   1592 C C   . PRO A 1 205 ? 5.981   -28.896 -14.188 1.000 22.963 0 205 PRO A C   1 ? 
ATOM   1593 O O   . PRO A 1 205 ? 6.803   -29.383 -14.989 1.000 23.159 0 205 PRO A O   1 ? 
ATOM   1594 C CB  . PRO A 1 205 ? 7.076   -27.535 -12.400 1.000 19.080 0 205 PRO A CB  1 ? 
ATOM   1595 C CG  . PRO A 1 205 ? 6.090   -27.272 -11.343 1.000 17.304 0 205 PRO A CG  1 ? 
ATOM   1596 C CD  . PRO A 1 205 ? 5.055   -26.299 -11.936 1.000 16.057 0 205 PRO A CD  1 ? 
ATOM   1597 N N   . THR A 1 206 ? 4.822   -29.453 -13.809 1.000 22.269 0 206 THR A N   1 ? 
ATOM   1598 C CA  . THR A 1 206 ? 4.472   -30.831 -14.158 1.000 31.597 0 206 THR A CA  1 ? 
ATOM   1599 C C   . THR A 1 206 ? 3.304   -30.864 -15.131 1.000 39.329 0 206 THR A C   1 ? 
ATOM   1600 O O   . THR A 1 206 ? 3.348   -30.075 -16.098 1.000 46.431 0 206 THR A O   1 ? 
ATOM   1601 C CB  . THR A 1 206 ? 4.171   -31.622 -12.881 1.000 34.577 0 206 THR A CB  1 ? 
ATOM   1602 O OG1 . THR A 1 206 ? 3.120   -30.980 -12.171 1.000 38.294 0 206 THR A OG1 1 ? 
ATOM   1603 C CG2 . THR A 1 206 ? 5.319   -31.638 -11.887 1.000 39.985 0 206 THR A CG2 1 ? 
HETATM 1604 O O1  . TLA B 2 .   ? 10.614  -12.553 -26.631 1.000 24.390 0 301 TLA A O1  1 ? 
HETATM 1605 O O11 . TLA B 2 .   ? 10.764  -12.259 -24.463 1.000 25.098 0 301 TLA A O11 1 ? 
HETATM 1606 C C1  . TLA B 2 .   ? 10.453  -12.898 -25.457 1.000 24.547 0 301 TLA A C1  1 ? 
HETATM 1607 C C2  . TLA B 2 .   ? 9.785   -14.254 -25.241 1.000 20.459 0 301 TLA A C2  1 ? 
HETATM 1608 O O2  . TLA B 2 .   ? 9.470   -14.499 -23.865 1.000 19.752 0 301 TLA A O2  1 ? 
HETATM 1609 C C3  . TLA B 2 .   ? 10.711  -15.360 -25.753 1.000 18.254 0 301 TLA A C3  1 ? 
HETATM 1610 O O3  . TLA B 2 .   ? 11.922  -15.374 -25.037 1.000 20.058 0 301 TLA A O3  1 ? 
HETATM 1611 C C4  . TLA B 2 .   ? 10.027  -16.710 -25.599 1.000 16.481 0 301 TLA A C4  1 ? 
HETATM 1612 O O4  . TLA B 2 .   ? 10.480  -17.433 -24.678 1.000 16.872 0 301 TLA A O4  1 ? 
HETATM 1613 O O41 . TLA B 2 .   ? 9.064   -16.932 -26.356 1.000 18.449 0 301 TLA A O41 1 ? 
HETATM 1614 O O   . HOH C 3 .   ? -11.645 -27.715 5.958   1.000 41.041 0 401 HOH A O   1 ? 
HETATM 1615 O O   . HOH C 3 .   ? -2.488  -1.870  -3.918  1.000 59.248 0 402 HOH A O   1 ? 
HETATM 1616 O O   . HOH C 3 .   ? -6.530  -31.581 9.395   1.000 46.755 0 403 HOH A O   1 ? 
HETATM 1617 O O   . HOH C 3 .   ? -10.123 -6.247  7.846   1.000 18.917 0 404 HOH A O   1 ? 
HETATM 1618 O O   . HOH C 3 .   ? -7.803  -15.821 17.129  1.000 18.235 0 405 HOH A O   1 ? 
HETATM 1619 O O   . HOH C 3 .   ? 9.990   -29.430 -2.920  1.000 31.810 0 406 HOH A O   1 ? 
HETATM 1620 O O   . HOH C 3 .   ? -8.069  -16.703 -12.413 1.000 30.471 0 407 HOH A O   1 ? 
HETATM 1621 O O   . HOH C 3 .   ? -2.028  -9.746  12.005  1.000 41.103 0 408 HOH A O   1 ? 
HETATM 1622 O O   . HOH C 3 .   ? 5.008   -13.039 -27.368 1.000 45.224 0 409 HOH A O   1 ? 
HETATM 1623 O O   . HOH C 3 .   ? -4.008  -4.828  -5.669  1.000 38.846 0 410 HOH A O   1 ? 
HETATM 1624 O O   . HOH C 3 .   ? 23.255  -15.486 6.189   1.000 42.296 0 411 HOH A O   1 ? 
HETATM 1625 O O   . HOH C 3 .   ? 17.278  -7.302  -17.004 1.000 43.209 0 412 HOH A O   1 ? 
HETATM 1626 O O   . HOH C 3 .   ? 25.121  -21.387 -6.916  1.000 34.634 0 413 HOH A O   1 ? 
HETATM 1627 O O   . HOH C 3 .   ? 2.463   -28.151 -17.494 1.000 38.643 0 414 HOH A O   1 ? 
HETATM 1628 O O   . HOH C 3 .   ? -2.911  -24.830 -13.105 1.000 30.214 0 415 HOH A O   1 ? 
HETATM 1629 O O   . HOH C 3 .   ? 19.883  -27.709 -0.667  1.000 39.905 0 416 HOH A O   1 ? 
HETATM 1630 O O   . HOH C 3 .   ? 13.224  -1.805  -11.743 1.000 41.584 0 417 HOH A O   1 ? 
HETATM 1631 O O   . HOH C 3 .   ? 20.557  -6.522  1.885   1.000 41.295 0 418 HOH A O   1 ? 
HETATM 1632 O O   . HOH C 3 .   ? -8.716  -19.033 -15.188 1.000 47.841 0 419 HOH A O   1 ? 
HETATM 1633 O O   . HOH C 3 .   ? 3.922   -27.672 10.160  1.000 37.449 0 420 HOH A O   1 ? 
HETATM 1634 O O   . HOH C 3 .   ? -1.508  -14.926 16.980  1.000 28.615 0 421 HOH A O   1 ? 
HETATM 1635 O O   . HOH C 3 .   ? 21.781  -14.537 -6.030  1.000 23.978 0 422 HOH A O   1 ? 
HETATM 1636 O O   . HOH C 3 .   ? -7.538  0.856   -15.622 1.000 48.541 0 423 HOH A O   1 ? 
HETATM 1637 O O   . HOH C 3 .   ? 0.176   -26.513 8.823   1.000 19.033 0 424 HOH A O   1 ? 
HETATM 1638 O O   . HOH C 3 .   ? -9.500  -18.112 -17.961 1.000 49.672 0 425 HOH A O   1 ? 
HETATM 1639 O O   . HOH C 3 .   ? -6.783  -0.553  -12.851 1.000 36.375 0 426 HOH A O   1 ? 
HETATM 1640 O O   . HOH C 3 .   ? -4.337  -26.386 -8.601  1.000 23.647 0 427 HOH A O   1 ? 
HETATM 1641 O O   . HOH C 3 .   ? 7.538   -24.416 5.955   1.000 37.224 0 428 HOH A O   1 ? 
HETATM 1642 O O   . HOH C 3 .   ? -5.326  -9.909  -21.391 1.000 51.313 0 429 HOH A O   1 ? 
HETATM 1643 O O   . HOH C 3 .   ? -11.860 -25.389 10.283  1.000 24.164 0 430 HOH A O   1 ? 
HETATM 1644 O O   . HOH C 3 .   ? -1.828  -20.908 4.335   1.000 22.889 0 431 HOH A O   1 ? 
HETATM 1645 O O   . HOH C 3 .   ? 6.963   -16.628 8.477   1.000 44.308 0 432 HOH A O   1 ? 
HETATM 1646 O O   . HOH C 3 .   ? 10.211  -23.643 0.599   1.000 20.764 0 433 HOH A O   1 ? 
HETATM 1647 O O   . HOH C 3 .   ? 7.964   -27.491 7.526   1.000 29.273 0 434 HOH A O   1 ? 
HETATM 1648 O O   . HOH C 3 .   ? -15.535 -18.419 3.015   1.000 34.681 0 435 HOH A O   1 ? 
HETATM 1649 O O   . HOH C 3 .   ? 8.402   -19.910 10.345  1.000 29.659 0 436 HOH A O   1 ? 
HETATM 1650 O O   . HOH C 3 .   ? 20.481  -4.453  -3.256  1.000 38.401 0 437 HOH A O   1 ? 
HETATM 1651 O O   . HOH C 3 .   ? 10.713  -20.020 -23.735 1.000 15.545 0 438 HOH A O   1 ? 
HETATM 1652 O O   . HOH C 3 .   ? -16.218 -20.890 9.224   1.000 32.300 0 439 HOH A O   1 ? 
HETATM 1653 O O   . HOH C 3 .   ? 7.363   -15.511 -27.938 1.000 17.179 0 440 HOH A O   1 ? 
HETATM 1654 O O   . HOH C 3 .   ? 1.967   -34.984 2.470   1.000 43.765 0 441 HOH A O   1 ? 
HETATM 1655 O O   . HOH C 3 .   ? -4.721  -16.450 -17.058 1.000 22.678 0 442 HOH A O   1 ? 
HETATM 1656 O O   . HOH C 3 .   ? 12.287  -23.994 -11.967 1.000 17.499 0 443 HOH A O   1 ? 
HETATM 1657 O O   . HOH C 3 .   ? 5.134   -19.883 -26.676 1.000 20.187 0 444 HOH A O   1 ? 
HETATM 1658 O O   . HOH C 3 .   ? 3.386   -23.069 15.739  1.000 31.537 0 445 HOH A O   1 ? 
HETATM 1659 O O   . HOH C 3 .   ? 15.056  -24.628 6.422   1.000 40.513 0 446 HOH A O   1 ? 
HETATM 1660 O O   . HOH C 3 .   ? 11.098  -9.582  -24.667 1.000 47.075 0 447 HOH A O   1 ? 
HETATM 1661 O O   . HOH C 3 .   ? 17.332  -25.598 -12.323 1.000 42.745 0 448 HOH A O   1 ? 
HETATM 1662 O O   . HOH C 3 .   ? 3.898   -12.277 -24.149 1.000 31.022 0 449 HOH A O   1 ? 
HETATM 1663 O O   . HOH C 3 .   ? 22.885  -11.819 -6.122  1.000 25.119 0 450 HOH A O   1 ? 
HETATM 1664 O O   . HOH C 3 .   ? 1.919   -17.304 -8.193  1.000 14.941 0 451 HOH A O   1 ? 
HETATM 1665 O O   . HOH C 3 .   ? 11.268  -28.504 -15.179 1.000 44.790 0 452 HOH A O   1 ? 
HETATM 1666 O O   . HOH C 3 .   ? 16.959  -20.638 -21.354 1.000 20.041 0 453 HOH A O   1 ? 
HETATM 1667 O O   . HOH C 3 .   ? 21.480  -21.881 6.630   1.000 50.728 0 454 HOH A O   1 ? 
HETATM 1668 O O   . HOH C 3 .   ? 7.541   -11.801 3.593   1.000 48.438 0 455 HOH A O   1 ? 
HETATM 1669 O O   . HOH C 3 .   ? -1.489  1.193   -8.246  1.000 42.944 0 456 HOH A O   1 ? 
HETATM 1670 O O   . HOH C 3 .   ? 2.134   -25.948 -21.641 1.000 21.399 0 457 HOH A O   1 ? 
HETATM 1671 O O   . HOH C 3 .   ? -3.523  -21.133 9.841   1.000 17.824 0 458 HOH A O   1 ? 
HETATM 1672 O O   . HOH C 3 .   ? 5.813   -29.342 -1.619  1.000 21.081 0 459 HOH A O   1 ? 
HETATM 1673 O O   . HOH C 3 .   ? 0.938   -11.831 -2.546  1.000 22.922 0 460 HOH A O   1 ? 
HETATM 1674 O O   . HOH C 3 .   ? -6.823  -30.268 7.160   1.000 25.295 0 461 HOH A O   1 ? 
HETATM 1675 O O   . HOH C 3 .   ? 1.484   -17.580 -0.563  1.000 14.768 0 462 HOH A O   1 ? 
HETATM 1676 O O   . HOH C 3 .   ? -0.112  -12.360 8.972   1.000 37.274 0 463 HOH A O   1 ? 
HETATM 1677 O O   . HOH C 3 .   ? -1.703  -27.309 -9.437  1.000 34.540 0 464 HOH A O   1 ? 
HETATM 1678 O O   . HOH C 3 .   ? -7.191  -11.877 -5.910  1.000 23.429 0 465 HOH A O   1 ? 
HETATM 1679 O O   . HOH C 3 .   ? 11.018  -1.086  -13.567 1.000 51.906 0 466 HOH A O   1 ? 
HETATM 1680 O O   . HOH C 3 .   ? -0.803  -18.647 -23.767 1.000 25.254 0 467 HOH A O   1 ? 
HETATM 1681 O O   . HOH C 3 .   ? 13.609  -14.599 -22.481 1.000 46.789 0 468 HOH A O   1 ? 
HETATM 1682 O O   . HOH C 3 .   ? 17.804  -22.852 5.016   1.000 50.732 0 469 HOH A O   1 ? 
HETATM 1683 O O   . HOH C 3 .   ? -0.997  -7.924  -21.292 1.000 32.794 0 470 HOH A O   1 ? 
HETATM 1684 O O   . HOH C 3 .   ? -12.829 -28.853 -7.450  1.000 43.039 0 471 HOH A O   1 ? 
HETATM 1685 O O   . HOH C 3 .   ? -1.822  -6.226  -11.500 1.000 18.672 0 472 HOH A O   1 ? 
HETATM 1686 O O   . HOH C 3 .   ? -9.388  -14.742 -6.973  1.000 32.561 0 473 HOH A O   1 ? 
HETATM 1687 O O   . HOH C 3 .   ? 11.717  -26.094 -15.204 1.000 36.242 0 474 HOH A O   1 ? 
HETATM 1688 O O   . HOH C 3 .   ? -2.899  -23.913 -24.594 1.000 41.010 0 475 HOH A O   1 ? 
HETATM 1689 O O   . HOH C 3 .   ? -1.255  -28.843 16.703  1.000 49.850 0 476 HOH A O   1 ? 
HETATM 1690 O O   . HOH C 3 .   ? -12.576 -28.541 -3.693  1.000 34.288 0 477 HOH A O   1 ? 
HETATM 1691 O O   . HOH C 3 .   ? -5.099  -16.501 18.719  1.000 22.339 0 478 HOH A O   1 ? 
HETATM 1692 O O   . HOH C 3 .   ? 10.517  -12.438 0.216   1.000 22.374 0 479 HOH A O   1 ? 
HETATM 1693 O O   . HOH C 3 .   ? 24.200  -11.600 -8.443  1.000 31.186 0 480 HOH A O   1 ? 
HETATM 1694 O O   . HOH C 3 .   ? 14.698  -16.374 -21.321 1.000 37.251 0 481 HOH A O   1 ? 
HETATM 1695 O O   . HOH C 3 .   ? -14.031 -25.447 6.834   1.000 35.297 0 482 HOH A O   1 ? 
HETATM 1696 O O   . HOH C 3 .   ? -4.568  -10.962 3.026   1.000 42.365 0 483 HOH A O   1 ? 
HETATM 1697 O O   . HOH C 3 .   ? 10.974  -9.288  -21.799 1.000 40.970 0 484 HOH A O   1 ? 
HETATM 1698 O O   . HOH C 3 .   ? -0.675  -8.080  -0.812  1.000 44.935 0 485 HOH A O   1 ? 
HETATM 1699 O O   . HOH C 3 .   ? 2.969   -10.676 -4.031  1.000 23.027 0 486 HOH A O   1 ? 
HETATM 1700 O O   . HOH C 3 .   ? 4.878   -30.445 -5.231  1.000 31.619 0 487 HOH A O   1 ? 
HETATM 1701 O O   . HOH C 3 .   ? -11.027 -21.336 -6.995  1.000 38.405 0 488 HOH A O   1 ? 
HETATM 1702 O O   . HOH C 3 .   ? -5.685  -7.182  6.877   1.000 51.150 0 489 HOH A O   1 ? 
HETATM 1703 O O   . HOH C 3 .   ? 29.122  -17.276 -3.054  1.000 40.393 0 490 HOH A O   1 ? 
HETATM 1704 O O   . HOH C 3 .   ? 24.519  -7.704  0.639   1.000 39.001 0 491 HOH A O   1 ? 
HETATM 1705 O O   . HOH C 3 .   ? -1.967  -20.255 12.125  1.000 17.165 0 492 HOH A O   1 ? 
HETATM 1706 O O   . HOH C 3 .   ? -9.972  -30.216 1.248   1.000 33.618 0 493 HOH A O   1 ? 
HETATM 1707 O O   . HOH C 3 .   ? 19.015  -18.245 -14.135 1.000 28.613 0 494 HOH A O   1 ? 
HETATM 1708 O O   . HOH C 3 .   ? 13.604  -16.538 1.447   1.000 32.991 0 495 HOH A O   1 ? 
HETATM 1709 O O   . HOH C 3 .   ? -8.632  -31.840 13.427  1.000 44.991 0 496 HOH A O   1 ? 
HETATM 1710 O O   . HOH C 3 .   ? 16.794  -5.426  -8.423  1.000 36.172 0 497 HOH A O   1 ? 
HETATM 1711 O O   . HOH C 3 .   ? -7.034  -3.283  -10.461 1.000 38.428 0 498 HOH A O   1 ? 
HETATM 1712 O O   . HOH C 3 .   ? -2.676  -33.028 -6.260  1.000 35.435 0 499 HOH A O   1 ? 
HETATM 1713 O O   . HOH C 3 .   ? 3.684   -4.184  -1.131  1.000 31.881 0 500 HOH A O   1 ? 
HETATM 1714 O O   . HOH C 3 .   ? 2.070   -2.146  -8.016  1.000 26.501 0 501 HOH A O   1 ? 
HETATM 1715 O O   . HOH C 3 .   ? -0.766  -31.678 7.171   1.000 28.658 0 502 HOH A O   1 ? 
HETATM 1716 O O   . HOH C 3 .   ? -1.521  -25.867 -17.297 1.000 24.312 0 503 HOH A O   1 ? 
HETATM 1717 O O   . HOH C 3 .   ? 26.824  -11.172 1.443   1.000 25.974 0 504 HOH A O   1 ? 
HETATM 1718 O O   . HOH C 3 .   ? -13.655 -14.526 11.467  1.000 34.468 0 505 HOH A O   1 ? 
HETATM 1719 O O   . HOH C 3 .   ? 19.390  -25.577 2.769   1.000 40.190 0 506 HOH A O   1 ? 
HETATM 1720 O O   . HOH C 3 .   ? -12.779 -17.797 0.283   1.000 30.651 0 507 HOH A O   1 ? 
HETATM 1721 O O   . HOH C 3 .   ? 2.921   -32.698 5.046   1.000 35.683 0 508 HOH A O   1 ? 
HETATM 1722 O O   . HOH C 3 .   ? 2.274   -0.939  -15.418 1.000 30.920 0 509 HOH A O   1 ? 
HETATM 1723 O O   . HOH C 3 .   ? -9.747  -10.298 14.579  1.000 26.240 0 510 HOH A O   1 ? 
HETATM 1724 O O   . HOH C 3 .   ? 2.235   -28.204 -12.687 1.000 27.978 0 511 HOH A O   1 ? 
HETATM 1725 O O   . HOH C 3 .   ? 12.779  -13.708 1.696   1.000 32.488 0 512 HOH A O   1 ? 
HETATM 1726 O O   . HOH C 3 .   ? 3.734   -7.828  -21.296 1.000 25.307 0 513 HOH A O   1 ? 
HETATM 1727 O O   . HOH C 3 .   ? -14.466 -25.369 4.108   1.000 31.954 0 514 HOH A O   1 ? 
HETATM 1728 O O   . HOH C 3 .   ? 0.256   -30.266 12.256  1.000 46.763 0 515 HOH A O   1 ? 
HETATM 1729 O O   . HOH C 3 .   ? -4.790  -18.130 -21.529 1.000 30.918 0 516 HOH A O   1 ? 
HETATM 1730 O O   . HOH C 3 .   ? -4.150  -23.976 -10.420 1.000 33.932 0 517 HOH A O   1 ? 
HETATM 1731 O O   . HOH C 3 .   ? 23.825  -22.204 -15.451 1.000 48.482 0 518 HOH A O   1 ? 
HETATM 1732 O O   . HOH C 3 .   ? 27.168  -13.016 -1.032  1.000 35.142 0 519 HOH A O   1 ? 
HETATM 1733 O O   . HOH C 3 .   ? -9.035  -27.669 5.640   1.000 36.108 0 520 HOH A O   1 ? 
HETATM 1734 O O   . HOH C 3 .   ? 3.753   -29.858 -19.104 1.000 52.110 0 521 HOH A O   1 ? 
HETATM 1735 O O   . HOH C 3 .   ? 3.545   -2.607  -21.741 1.000 56.169 0 522 HOH A O   1 ? 
HETATM 1736 O O   . HOH C 3 .   ? 13.543  -26.054 9.721   1.000 48.062 0 523 HOH A O   1 ? 
HETATM 1737 O O   . HOH C 3 .   ? -5.627  -34.949 -1.748  1.000 51.734 0 524 HOH A O   1 ? 
HETATM 1738 O O   . HOH C 3 .   ? -4.410  -10.243 5.842   1.000 38.803 0 525 HOH A O   1 ? 
HETATM 1739 O O   . HOH C 3 .   ? 16.675  -4.877  -0.478  1.000 38.481 0 526 HOH A O   1 ? 
HETATM 1740 O O   . HOH C 3 .   ? 25.578  -18.563 -14.519 1.000 44.654 0 527 HOH A O   1 ? 
HETATM 1741 O O   . HOH C 3 .   ? -11.226 -14.177 -2.798  1.000 42.300 0 528 HOH A O   1 ? 
HETATM 1742 O O   . HOH C 3 .   ? 13.278  -28.875 -11.190 1.000 51.771 0 529 HOH A O   1 ? 
HETATM 1743 O O   . HOH C 3 .   ? 6.759   -11.889 -26.244 1.000 45.742 0 530 HOH A O   1 ? 
HETATM 1744 O O   . HOH C 3 .   ? -3.039  -15.482 20.298  1.000 45.333 0 531 HOH A O   1 ? 
HETATM 1745 O O   . HOH C 3 .   ? -6.397  -18.527 -16.307 1.000 35.634 0 532 HOH A O   1 ? 
HETATM 1746 O O   . HOH C 3 .   ? 14.506  -25.328 -13.257 1.000 33.153 0 533 HOH A O   1 ? 
HETATM 1747 O O   . HOH C 3 .   ? 7.706   -31.330 -4.273  1.000 42.788 0 534 HOH A O   1 ? 
HETATM 1748 O O   . HOH C 3 .   ? -6.054  -22.451 -21.864 1.000 51.103 0 535 HOH A O   1 ? 
HETATM 1749 O O   . HOH C 3 .   ? 7.283   -9.246  -24.306 1.000 57.218 0 536 HOH A O   1 ? 
HETATM 1750 O O   . HOH C 3 .   ? 4.820   -9.666  -23.661 1.000 40.389 0 537 HOH A O   1 ? 
HETATM 1751 O O   . HOH C 3 .   ? 1.429   -7.057  -22.185 1.000 54.993 0 538 HOH A O   1 ? 
HETATM 1752 O O   . HOH C 3 .   ? 8.580   -13.631 4.469   1.000 55.110 0 539 HOH A O   1 ? 
HETATM 1753 O O   . HOH C 3 .   ? 9.804   -6.422  -20.142 1.000 43.973 0 540 HOH A O   1 ? 
HETATM 1754 O O   . HOH C 3 .   ? 27.908  -27.186 -2.156  1.000 51.038 0 541 HOH A O   1 ? 
HETATM 1755 O O   . HOH C 3 .   ? 5.887   -22.965 16.695  1.000 49.905 0 542 HOH A O   1 ? 
HETATM 1756 O O   . HOH C 3 .   ? 1.092   0.135   -7.110  1.000 41.537 0 543 HOH A O   1 ? 
HETATM 1757 O O   . HOH C 3 .   ? -15.844 -20.572 -6.235  1.000 51.336 0 544 HOH A O   1 ? 
HETATM 1758 O O   . HOH C 3 .   ? 3.442   -11.392 1.786   1.000 54.671 0 545 HOH A O   1 ? 
HETATM 1759 O O   . HOH C 3 .   ? 3.585   -13.217 3.175   1.000 41.151 0 546 HOH A O   1 ? 
HETATM 1760 O O   . HOH C 3 .   ? 2.661   -10.869 -0.533  1.000 41.288 0 547 HOH A O   1 ? 
HETATM 1761 O O   . HOH C 3 .   ? -3.195  -35.850 -2.703  1.000 53.539 0 548 HOH A O   1 ? 
HETATM 1762 O O   . HOH C 3 .   ? -17.760 -25.793 4.239   1.000 46.093 0 549 HOH A O   1 ? 
HETATM 1763 O O   . HOH C 3 .   ? -14.297 -15.282 1.505   1.000 48.395 0 550 HOH A O   1 ? 
HETATM 1764 O O   . HOH C 3 .   ? 1.389   -28.636 10.143  1.000 34.223 0 551 HOH A O   1 ? 
HETATM 1765 O O   . HOH C 3 .   ? 2.790   -12.846 6.320   1.000 48.239 0 552 HOH A O   1 ? 
HETATM 1766 O O   . HOH C 3 .   ? 0.964   -30.959 8.889   1.000 42.006 0 553 HOH A O   1 ? 
HETATM 1767 O O   . HOH C 3 .   ? -6.631  -24.292 -11.247 1.000 45.363 0 554 HOH A O   1 ? 
HETATM 1768 O O   . HOH C 3 .   ? 29.364  -29.052 -1.030  1.000 52.623 0 555 HOH A O   1 ? 
# 
