data_9ER1
# 
_entry.id   9ER1 
# 
_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   9ER1         pdb_00009er1 10.2210/pdb9er1/pdb 
WWPDB D_1292137448 ?            ?                   
# 
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                        9ER1 
_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    183 ? ? ? ? 
# 
_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   402 402 HOH HOH A . 
C 3 HOH 3   403 404 HOH HOH A . 
C 3 HOH 4   404 403 HOH HOH A . 
C 3 HOH 5   405 405 HOH HOH A . 
C 3 HOH 6   406 406 HOH HOH A . 
C 3 HOH 7   407 407 HOH HOH A . 
C 3 HOH 8   408 408 HOH HOH A . 
C 3 HOH 9   409 415 HOH HOH A . 
C 3 HOH 10  410 409 HOH HOH A . 
C 3 HOH 11  411 410 HOH HOH A . 
C 3 HOH 12  412 413 HOH HOH A . 
C 3 HOH 13  413 412 HOH HOH A . 
C 3 HOH 14  414 422 HOH HOH A . 
C 3 HOH 15  415 414 HOH HOH A . 
C 3 HOH 16  416 416 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  419 418 HOH HOH A . 
C 3 HOH 20  420 420 HOH HOH A . 
C 3 HOH 21  421 423 HOH HOH A . 
C 3 HOH 22  422 421 HOH HOH A . 
C 3 HOH 23  423 424 HOH HOH A . 
C 3 HOH 24  424 436 HOH HOH A . 
C 3 HOH 25  425 425 HOH HOH A . 
C 3 HOH 26  426 426 HOH HOH A . 
C 3 HOH 27  427 411 HOH HOH A . 
C 3 HOH 28  428 427 HOH HOH A . 
C 3 HOH 29  429 431 HOH HOH A . 
C 3 HOH 30  430 428 HOH HOH A . 
C 3 HOH 31  431 435 HOH HOH A . 
C 3 HOH 32  432 429 HOH HOH A . 
C 3 HOH 33  433 432 HOH HOH A . 
C 3 HOH 34  434 433 HOH HOH A . 
C 3 HOH 35  435 443 HOH HOH A . 
C 3 HOH 36  436 430 HOH HOH A . 
C 3 HOH 37  437 439 HOH HOH A . 
C 3 HOH 38  438 434 HOH HOH A . 
C 3 HOH 39  439 437 HOH HOH A . 
C 3 HOH 40  440 438 HOH HOH A . 
C 3 HOH 41  441 445 HOH HOH A . 
C 3 HOH 42  442 441 HOH HOH A . 
C 3 HOH 43  443 444 HOH HOH A . 
C 3 HOH 44  444 442 HOH HOH A . 
C 3 HOH 45  445 446 HOH HOH A . 
C 3 HOH 46  446 447 HOH HOH A . 
C 3 HOH 47  447 449 HOH HOH A . 
C 3 HOH 48  448 451 HOH HOH A . 
C 3 HOH 49  449 448 HOH HOH A . 
C 3 HOH 50  450 453 HOH HOH A . 
C 3 HOH 51  451 450 HOH HOH A . 
C 3 HOH 52  452 452 HOH HOH A . 
C 3 HOH 53  453 440 HOH HOH A . 
C 3 HOH 54  454 454 HOH HOH A . 
C 3 HOH 55  455 455 HOH HOH A . 
C 3 HOH 56  456 457 HOH HOH A . 
C 3 HOH 57  457 456 HOH HOH A . 
C 3 HOH 58  458 459 HOH HOH A . 
C 3 HOH 59  459 458 HOH HOH A . 
C 3 HOH 60  460 460 HOH HOH A . 
C 3 HOH 61  461 461 HOH HOH A . 
C 3 HOH 62  462 462 HOH HOH A . 
C 3 HOH 63  463 463 HOH HOH A . 
C 3 HOH 64  464 464 HOH HOH A . 
C 3 HOH 65  465 469 HOH HOH A . 
C 3 HOH 66  466 466 HOH HOH A . 
C 3 HOH 67  467 472 HOH HOH A . 
C 3 HOH 68  468 467 HOH HOH A . 
C 3 HOH 69  469 465 HOH HOH A . 
C 3 HOH 70  470 470 HOH HOH A . 
C 3 HOH 71  471 471 HOH HOH A . 
C 3 HOH 72  472 468 HOH HOH A . 
C 3 HOH 73  473 474 HOH HOH A . 
C 3 HOH 74  474 473 HOH HOH A . 
C 3 HOH 75  475 475 HOH HOH A . 
C 3 HOH 76  476 477 HOH HOH A . 
C 3 HOH 77  477 476 HOH HOH A . 
C 3 HOH 78  478 479 HOH HOH A . 
C 3 HOH 79  479 478 HOH HOH A . 
C 3 HOH 80  480 481 HOH HOH A . 
C 3 HOH 81  481 482 HOH HOH A . 
C 3 HOH 82  482 480 HOH HOH A . 
C 3 HOH 83  483 483 HOH HOH A . 
C 3 HOH 84  484 485 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  487 486 HOH HOH A . 
C 3 HOH 88  488 491 HOH HOH A . 
C 3 HOH 89  489 488 HOH HOH A . 
C 3 HOH 90  490 490 HOH HOH A . 
C 3 HOH 91  491 489 HOH HOH A . 
C 3 HOH 92  492 492 HOH HOH A . 
C 3 HOH 93  493 494 HOH HOH A . 
C 3 HOH 94  494 493 HOH HOH A . 
C 3 HOH 95  495 496 HOH HOH A . 
C 3 HOH 96  496 495 HOH HOH A . 
C 3 HOH 97  497 497 HOH HOH A . 
C 3 HOH 98  498 502 HOH HOH A . 
C 3 HOH 99  499 498 HOH HOH A . 
C 3 HOH 100 500 500 HOH HOH A . 
C 3 HOH 101 501 501 HOH HOH A . 
C 3 HOH 102 502 499 HOH HOH A . 
C 3 HOH 103 503 503 HOH HOH A . 
C 3 HOH 104 504 504 HOH HOH A . 
C 3 HOH 105 505 505 HOH HOH A . 
C 3 HOH 106 506 507 HOH HOH A . 
C 3 HOH 107 507 506 HOH HOH A . 
C 3 HOH 108 508 508 HOH HOH A . 
C 3 HOH 109 509 509 HOH HOH A . 
C 3 HOH 110 510 510 HOH HOH A . 
C 3 HOH 111 511 518 HOH HOH A . 
C 3 HOH 112 512 530 HOH HOH A . 
C 3 HOH 113 513 512 HOH HOH A . 
C 3 HOH 114 514 514 HOH HOH A . 
C 3 HOH 115 515 516 HOH HOH A . 
C 3 HOH 116 516 513 HOH HOH A . 
C 3 HOH 117 517 511 HOH HOH A . 
C 3 HOH 118 518 517 HOH HOH A . 
C 3 HOH 119 519 515 HOH HOH A . 
C 3 HOH 120 520 519 HOH HOH A . 
C 3 HOH 121 521 525 HOH HOH A . 
C 3 HOH 122 522 520 HOH HOH A . 
C 3 HOH 123 523 521 HOH HOH A . 
C 3 HOH 124 524 523 HOH HOH A . 
C 3 HOH 125 525 522 HOH HOH A . 
C 3 HOH 126 526 524 HOH HOH A . 
C 3 HOH 127 527 527 HOH HOH A . 
C 3 HOH 128 528 526 HOH HOH A . 
C 3 HOH 129 529 528 HOH HOH A . 
C 3 HOH 130 530 529 HOH HOH A . 
C 3 HOH 131 531 532 HOH HOH A . 
C 3 HOH 132 532 534 HOH HOH A . 
C 3 HOH 133 533 531 HOH HOH A . 
C 3 HOH 134 534 533 HOH HOH A . 
C 3 HOH 135 535 536 HOH HOH A . 
C 3 HOH 136 536 538 HOH HOH A . 
C 3 HOH 137 537 545 HOH HOH A . 
C 3 HOH 138 538 535 HOH HOH A . 
C 3 HOH 139 539 537 HOH HOH A . 
C 3 HOH 140 540 539 HOH HOH A . 
C 3 HOH 141 541 541 HOH HOH A . 
C 3 HOH 142 542 542 HOH HOH A . 
C 3 HOH 143 543 540 HOH HOH A . 
C 3 HOH 144 544 543 HOH HOH A . 
C 3 HOH 145 545 554 HOH HOH A . 
C 3 HOH 146 546 544 HOH HOH A . 
C 3 HOH 147 547 551 HOH HOH A . 
C 3 HOH 148 548 546 HOH HOH A . 
C 3 HOH 149 549 548 HOH HOH A . 
C 3 HOH 150 550 550 HOH HOH A . 
C 3 HOH 151 551 547 HOH HOH A . 
C 3 HOH 152 552 549 HOH HOH A . 
C 3 HOH 153 553 552 HOH HOH A . 
C 3 HOH 154 554 553 HOH HOH A . 
C 3 HOH 155 555 555 HOH HOH A . 
C 3 HOH 156 556 556 HOH HOH A . 
C 3 HOH 157 557 557 HOH HOH A . 
C 3 HOH 158 558 558 HOH HOH A . 
C 3 HOH 159 559 559 HOH HOH A . 
C 3 HOH 160 560 560 HOH HOH A . 
C 3 HOH 161 561 561 HOH HOH A . 
C 3 HOH 162 562 562 HOH HOH A . 
C 3 HOH 163 563 563 HOH HOH A . 
C 3 HOH 164 564 564 HOH HOH A . 
C 3 HOH 165 565 565 HOH HOH A . 
C 3 HOH 166 566 566 HOH HOH A . 
C 3 HOH 167 567 567 HOH HOH A . 
C 3 HOH 168 568 568 HOH HOH A . 
C 3 HOH 169 569 571 HOH HOH A . 
C 3 HOH 170 570 569 HOH HOH A . 
C 3 HOH 171 571 570 HOH HOH A . 
C 3 HOH 172 572 573 HOH HOH A . 
C 3 HOH 173 573 572 HOH HOH A . 
C 3 HOH 174 574 574 HOH HOH A . 
C 3 HOH 175 575 575 HOH HOH A . 
C 3 HOH 176 576 577 HOH HOH A . 
C 3 HOH 177 577 576 HOH HOH A . 
C 3 HOH 178 578 578 HOH HOH A . 
C 3 HOH 179 579 579 HOH HOH A . 
C 3 HOH 180 580 580 HOH HOH A . 
C 3 HOH 181 581 581 HOH HOH A . 
C 3 HOH 182 582 582 HOH HOH A . 
C 3 HOH 183 583 583 HOH HOH A . 
# 
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                     9ER1 
_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                         9ER1 
_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                   9ER1 
_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             ? 
_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                                       9ER1 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.43 
_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                                     50650 
_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                                161 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          4.34 
_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                                   0.935 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   0.204 
_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                                    1.43 
_reflns_shell.d_res_low                                     1.46 
_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                             2460 
_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                                  0.359 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  1.142 
_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]                            0.335 
_refine.aniso_B[1][2]                            -0.000 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            0.335 
_refine.aniso_B[2][3]                            -0.000 
_refine.aniso_B[3][3]                            -0.671 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               20.633 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.959 
_refine.correlation_coeff_Fo_to_Fc_free          0.940 
_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                                 9ER1 
_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                            1.43 
_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                     50539 
_refine.ls_number_reflns_R_free                  2537 
_refine.ls_number_reflns_R_work                  48002 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.960 
_refine.ls_percent_reflns_R_free                 5.020 
_refine.ls_R_factor_all                          0.178 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2052 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1763 
_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                       0.053 
_refine.pdbx_overall_ESU_R_Free                  0.057 
_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                             1.118 
_refine.overall_SU_ML                            0.042 
_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                       1.43 
_refine_hist.d_res_low                        32.000 
_refine_hist.number_atoms_solvent             183 
_refine_hist.number_atoms_total               1738 
_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' ? 0.012  0.012  1664 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1486 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.792  1.809  2279 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.622  1.758  3453 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 6.878  5.000  227  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 9.396  5.000  13   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 12.564 10.000 256  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 16.099 10.000 71   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.093  0.200  244  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.010  0.020  2040 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  406  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.219  0.200  255  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.199  0.200  1314 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.187  0.200  827  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.088  0.200  924  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.263  0.200  106  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.132  0.200  4    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.146  0.200  43   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.276  0.200  9    ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 1.998  1.946  845  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.947  1.944  845  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.944  3.491  1060 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 2.959  3.493  1061 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 3.319  2.307  819  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 3.321  2.308  818  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 5.034  4.049  1208 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 5.035  4.049  1208 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 6.599  21.991 1824 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 6.384  19.559 1788 ? 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' 1.43  1.457  . . 183 3476 100.0000 . . . . 0.361 . . . . . . . . . . . 0.373 
'X-RAY DIFFRACTION' 1.457 1.497  . . 176 3399 100.0000 . . . . 0.314 . . . . . . . . . . . 0.326 
'X-RAY DIFFRACTION' 1.497 1.540  . . 173 3325 100.0000 . . . . 0.271 . . . . . . . . . . . 0.290 
'X-RAY DIFFRACTION' 1.540 1.587  . . 163 3205 100.0000 . . . . 0.226 . . . . . . . . . . . 0.215 
'X-RAY DIFFRACTION' 1.587 1.639  . . 158 3116 100.0000 . . . . 0.206 . . . . . . . . . . . 0.234 
'X-RAY DIFFRACTION' 1.639 1.697  . . 178 3011 100.0000 . . . . 0.181 . . . . . . . . . . . 0.193 
'X-RAY DIFFRACTION' 1.697 1.760  . . 173 2892 100.0000 . . . . 0.164 . . . . . . . . . . . 0.200 
'X-RAY DIFFRACTION' 1.760 1.832  . . 148 2808 100.0000 . . . . 0.162 . . . . . . . . . . . 0.184 
'X-RAY DIFFRACTION' 1.832 1.913  . . 134 2722 100.0000 . . . . 0.156 . . . . . . . . . . . 0.186 
'X-RAY DIFFRACTION' 1.913 2.006  . . 139 2591 100.0000 . . . . 0.148 . . . . . . . . . . . 0.181 
'X-RAY DIFFRACTION' 2.006 2.114  . . 132 2469 100.0000 . . . . 0.145 . . . . . . . . . . . 0.147 
'X-RAY DIFFRACTION' 2.114 2.242  . . 118 2364 100.0000 . . . . 0.151 . . . . . . . . . . . 0.189 
'X-RAY DIFFRACTION' 2.242 2.396  . . 100 2214 100.0000 . . . . 0.143 . . . . . . . . . . . 0.145 
'X-RAY DIFFRACTION' 2.396 2.587  . . 110 2076 100.0000 . . . . 0.149 . . . . . . . . . . . 0.192 
'X-RAY DIFFRACTION' 2.587 2.832  . . 108 1916 100.0000 . . . . 0.160 . . . . . . . . . . . 0.214 
'X-RAY DIFFRACTION' 2.832 3.163  . . 91  1763 100.0000 . . . . 0.156 . . . . . . . . . . . 0.202 
'X-RAY DIFFRACTION' 3.163 3.646  . . 89  1560 100.0000 . . . . 0.148 . . . . . . . . . . . 0.170 
'X-RAY DIFFRACTION' 3.646 4.451  . . 63  1364 100.0000 . . . . 0.151 . . . . . . . . . . . 0.150 
'X-RAY DIFFRACTION' 4.451 6.235  . . 58  1076 100.0000 . . . . 0.203 . . . . . . . . . . . 0.261 
'X-RAY DIFFRACTION' 6.235 32.000 . . 43  655  98.1716  . . . . 0.389 . . . . . . . . . . . 0.390 
# 
_struct.entry_id                     9ER1 
_struct.title                        '53fs pulse duration 100uJ 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        9ER1 
_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              9ER1 
_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 ? ? ? ? ? ? ? 1.996 ? ? 
disulf2 disulf ? ? A CYS 56  SG ? ? ? 1_555 A CYS 66  SG ? ? A CYS 56  A CYS 66  1_555 ? ? ? ? ? ? ? 2.047 ? ? 
disulf3 disulf ? ? A CYS 71  SG ? ? ? 1_555 A CYS 77  SG ? ? A CYS 71  A CYS 77  1_555 ? ? ? ? ? ? ? 2.007 ? ? 
disulf4 disulf ? ? A CYS 121 SG ? ? ? 1_555 A CYS 193 SG ? ? A CYS 121 A CYS 193 1_555 ? ? ? ? ? ? ? 2.062 ? ? 
disulf5 disulf ? ? A CYS 126 SG ? ? ? 1_555 A CYS 177 SG ? ? A CYS 126 A CYS 177 1_555 ? ? ? ? ? ? ? 2.027 ? ? 
disulf6 disulf ? ? A CYS 134 SG ? ? ? 1_555 A CYS 145 SG ? ? A CYS 134 A CYS 145 1_555 ? ? ? ? ? ? ? 2.031 ? ? 
disulf7 disulf ? ? A CYS 149 SG ? ? ? 1_555 A CYS 158 SG ? ? A CYS 149 A CYS 158 1_555 ? ? ? ? ? ? ? 2.017 ? ? 
disulf8 disulf ? ? A CYS 159 SG A ? ? 1_555 A CYS 164 SG ? ? A CYS 159 A CYS 164 1_555 ? ? ? ? ? ? ? 1.998 ? ? 
disulf9 disulf ? ? A CYS 159 SG B ? ? 1_555 A CYS 164 SG ? ? A CYS 159 A CYS 164 1_555 ? ? ? ? ? ? ? 1.878 ? ? 
# 
_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       4.60 
# 
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 ILE A 50  ? N ILE A 50  O ALA A 88  ? O ALA A 88  
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 ILE A 50  ? N ILE A 50  O ALA A 88  ? O ALA A 88  
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                   9ER1 
_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 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 O   A HOH 516 ? ? O A HOH 524 ? ? 2.04 
2 1 OE2 A GLU 168 ? A O A HOH 401 ? ? 2.16 
3 1 O   A HOH 486 ? ? O A HOH 492 ? ? 2.18 
# 
_pdbx_validate_rmsd_bond.id                        1 
_pdbx_validate_rmsd_bond.PDB_model_num             1 
_pdbx_validate_rmsd_bond.auth_atom_id_1            CD 
_pdbx_validate_rmsd_bond.auth_asym_id_1            A 
_pdbx_validate_rmsd_bond.auth_comp_id_1            GLU 
_pdbx_validate_rmsd_bond.auth_seq_id_1             4 
_pdbx_validate_rmsd_bond.PDB_ins_code_1            ? 
_pdbx_validate_rmsd_bond.label_alt_id_1            ? 
_pdbx_validate_rmsd_bond.auth_atom_id_2            OE1 
_pdbx_validate_rmsd_bond.auth_asym_id_2            A 
_pdbx_validate_rmsd_bond.auth_comp_id_2            GLU 
_pdbx_validate_rmsd_bond.auth_seq_id_2             4 
_pdbx_validate_rmsd_bond.PDB_ins_code_2            ? 
_pdbx_validate_rmsd_bond.label_alt_id_2            ? 
_pdbx_validate_rmsd_bond.bond_value                1.177 
_pdbx_validate_rmsd_bond.bond_target_value         1.252 
_pdbx_validate_rmsd_bond.bond_deviation            -0.075 
_pdbx_validate_rmsd_bond.bond_standard_deviation   0.011 
_pdbx_validate_rmsd_bond.linker_flag               N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASP A 25 ? ? 53.82   -140.30 
2 1 CYS A 71 ? ? -114.78 68.03   
# 
_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            0.081 
_pdbx_validate_planes.type            'SIDE CHAIN' 
# 
_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        11780 
_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                 100 
_pdbx_serial_crystallography_measurement.pulse_duration               53 
_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                    9ER1 
_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   ? 21.832  -11.017 -9.833  1.000 30.992 0 1   ALA A N   1 ? 
ATOM   2    C CA  . ALA A 1 1   ? 21.431  -12.441 -10.005 1.000 28.122 0 1   ALA A CA  1 ? 
ATOM   3    C C   . ALA A 1 1   ? 20.433  -12.467 -11.145 1.000 22.304 0 1   ALA A C   1 ? 
ATOM   4    O O   . ALA A 1 1   ? 19.707  -11.494 -11.339 1.000 24.838 0 1   ALA A O   1 ? 
ATOM   5    C CB  . ALA A 1 1   ? 20.791  -12.999 -8.764  1.000 28.802 0 1   ALA A CB  1 ? 
ATOM   6    N N   . THR A 1 2   ? 20.455  -13.570 -11.881 1.000 20.318 0 2   THR A N   1 ? 
ATOM   7    C CA  A THR A 1 2   ? 19.565  -13.743 -13.010 0.340 19.152 0 2   THR A CA  1 ? 
ATOM   8    C CA  B THR A 1 2   ? 19.574  -13.750 -13.013 0.660 20.875 0 2   THR A CA  1 ? 
ATOM   9    C C   . THR A 1 2   ? 18.500  -14.737 -12.571 1.000 17.724 0 2   THR A C   1 ? 
ATOM   10   O O   . THR A 1 2   ? 18.813  -15.741 -11.966 1.000 20.946 0 2   THR A O   1 ? 
ATOM   11   C CB  A THR A 1 2   ? 20.310  -14.229 -14.256 0.340 19.887 0 2   THR A CB  1 ? 
ATOM   12   C CB  B THR A 1 2   ? 20.381  -14.241 -14.220 0.660 25.770 0 2   THR A CB  1 ? 
ATOM   13   O OG1 A THR A 1 2   ? 20.599  -15.606 -14.135 0.340 19.763 0 2   THR A OG1 1 ? 
ATOM   14   O OG1 B THR A 1 2   ? 21.116  -13.112 -14.716 0.660 27.423 0 2   THR A OG1 1 ? 
ATOM   15   C CG2 A THR A 1 2   ? 21.694  -13.621 -14.419 0.340 18.755 0 2   THR A CG2 1 ? 
ATOM   16   C CG2 B THR A 1 2   ? 19.510  -14.712 -15.362 0.660 27.024 0 2   THR A CG2 1 ? 
ATOM   17   N N   . PHE A 1 3   ? 17.269  -14.386 -12.889 1.000 18.386 0 3   PHE A N   1 ? 
ATOM   18   C CA  . PHE A 1 3   ? 16.137  -15.279 -12.699 1.000 17.547 0 3   PHE A CA  1 ? 
ATOM   19   C C   . PHE A 1 3   ? 15.496  -15.481 -14.066 1.000 16.869 0 3   PHE A C   1 ? 
ATOM   20   O O   . PHE A 1 3   ? 15.136  -14.498 -14.693 1.000 20.907 0 3   PHE A O   1 ? 
ATOM   21   C CB  . PHE A 1 3   ? 15.064  -14.678 -11.799 1.000 19.452 0 3   PHE A CB  1 ? 
ATOM   22   C CG  . PHE A 1 3   ? 15.386  -14.652 -10.317 1.000 19.559 0 3   PHE A CG  1 ? 
ATOM   23   C CD1 . PHE A 1 3   ? 16.405  -13.823 -9.839  1.000 21.551 0 3   PHE A CD1 1 ? 
ATOM   24   C CD2 . PHE A 1 3   ? 14.738  -15.488 -9.432  1.000 21.302 0 3   PHE A CD2 1 ? 
ATOM   25   C CE1 . PHE A 1 3   ? 16.706  -13.805 -8.495  1.000 23.196 0 3   PHE A CE1 1 ? 
ATOM   26   C CE2 . PHE A 1 3   ? 15.043  -15.460 -8.098  1.000 21.210 0 3   PHE A CE2 1 ? 
ATOM   27   C CZ  . PHE A 1 3   ? 16.009  -14.612 -7.638  1.000 20.957 0 3   PHE A CZ  1 ? 
ATOM   28   N N   . GLU A 1 4   ? 15.322  -16.734 -14.449 1.000 15.776 0 4   GLU A N   1 ? 
ATOM   29   C CA  . GLU A 1 4   ? 14.550  -17.019 -15.645 1.000 15.988 0 4   GLU A CA  1 ? 
ATOM   30   C C   . GLU A 1 4   ? 13.184  -17.500 -15.192 1.000 16.825 0 4   GLU A C   1 ? 
ATOM   31   O O   . GLU A 1 4   ? 13.117  -18.410 -14.362 1.000 18.050 0 4   GLU A O   1 ? 
ATOM   32   C CB  . GLU A 1 4   ? 15.218  -18.115 -16.468 1.000 17.661 0 4   GLU A CB  1 ? 
ATOM   33   C CG  . GLU A 1 4   ? 14.509  -18.270 -17.807 1.000 19.401 0 4   GLU A CG  1 ? 
ATOM   34   C CD  . GLU A 1 4   ? 15.044  -19.345 -18.732 1.000 23.093 0 4   GLU A CD  1 ? 
ATOM   35   O OE1 . GLU A 1 4   ? 15.181  -20.457 -18.370 1.000 22.336 0 4   GLU A OE1 1 ? 
ATOM   36   O OE2 . GLU A 1 4   ? 15.327  -18.975 -19.882 1.000 24.506 0 4   GLU A OE2 1 ? 
ATOM   37   N N   . ILE A 1 5   ? 12.160  -16.847 -15.687 1.000 14.756 0 5   ILE A N   1 ? 
ATOM   38   C CA  . ILE A 1 5   ? 10.803  -17.125 -15.260 1.000 14.677 0 5   ILE A CA  1 ? 
ATOM   39   C C   . ILE A 1 5   ? 10.132  -17.770 -16.471 1.000 15.327 0 5   ILE A C   1 ? 
ATOM   40   O O   . ILE A 1 5   ? 10.034  -17.134 -17.524 1.000 16.076 0 5   ILE A O   1 ? 
ATOM   41   C CB  . ILE A 1 5   ? 10.088  -15.863 -14.813 1.000 15.826 0 5   ILE A CB  1 ? 
ATOM   42   C CG1 . ILE A 1 5   ? 10.815  -15.185 -13.626 1.000 19.476 0 5   ILE A CG1 1 ? 
ATOM   43   C CG2 . ILE A 1 5   ? 8.635   -16.220 -14.481 1.000 18.055 0 5   ILE A CG2 1 ? 
ATOM   44   C CD1 . ILE A 1 5   ? 10.360  -13.754 -13.383 1.000 23.672 0 5   ILE A CD1 1 ? 
ATOM   45   N N   . VAL A 1 6   ? 9.637   -18.985 -16.312 1.000 14.180 0 6   VAL A N   1 ? 
ATOM   46   C CA  . VAL A 1 6   ? 9.165   -19.823 -17.409 1.000 15.284 0 6   VAL A CA  1 ? 
ATOM   47   C C   . VAL A 1 6   ? 7.704   -20.177 -17.179 1.000 13.762 0 6   VAL A C   1 ? 
ATOM   48   O O   . VAL A 1 6   ? 7.362   -20.669 -16.102 1.000 15.301 0 6   VAL A O   1 ? 
ATOM   49   C CB  . VAL A 1 6   ? 9.983   -21.092 -17.548 1.000 16.049 0 6   VAL A CB  1 ? 
ATOM   50   C CG1 . VAL A 1 6   ? 9.463   -21.952 -18.700 1.000 18.001 0 6   VAL A CG1 1 ? 
ATOM   51   C CG2 . VAL A 1 6   ? 11.449  -20.749 -17.748 1.000 18.133 0 6   VAL A CG2 1 ? 
ATOM   52   N N   . ASN A 1 7   ? 6.837   -19.912 -18.141 1.000 12.497 0 7   ASN A N   1 ? 
ATOM   53   C CA  . ASN A 1 7   ? 5.446   -20.315 -18.028 1.000 13.201 0 7   ASN A CA  1 ? 
ATOM   54   C C   . ASN A 1 7   ? 5.257   -21.641 -18.770 1.000 13.146 0 7   ASN A C   1 ? 
ATOM   55   O O   . ASN A 1 7   ? 5.157   -21.631 -20.002 1.000 15.251 0 7   ASN A O   1 ? 
ATOM   56   C CB  . ASN A 1 7   ? 4.519   -19.257 -18.577 1.000 13.884 0 7   ASN A CB  1 ? 
ATOM   57   C CG  . ASN A 1 7   ? 3.076   -19.697 -18.440 1.000 14.293 0 7   ASN A CG  1 ? 
ATOM   58   O OD1 . ASN A 1 7   ? 2.818   -20.574 -17.607 1.000 14.405 0 7   ASN A OD1 1 ? 
ATOM   59   N ND2 . ASN A 1 7   ? 2.170   -19.109 -19.212 1.000 15.270 0 7   ASN A ND2 1 ? 
ATOM   60   N N   . ARG A 1 8   ? 5.189   -22.757 -18.071 1.000 12.963 0 8   ARG A N   1 ? 
ATOM   61   C CA  . ARG A 1 8   ? 4.882   -24.068 -18.631 1.000 12.672 0 8   ARG A CA  1 ? 
ATOM   62   C C   . ARG A 1 8   ? 3.384   -24.369 -18.584 1.000 14.419 0 8   ARG A C   1 ? 
ATOM   63   O O   . ARG A 1 8   ? 2.943   -25.429 -19.053 1.000 16.028 0 8   ARG A O   1 ? 
ATOM   64   C CB  . ARG A 1 8   ? 5.765   -25.130 -18.002 1.000 15.124 0 8   ARG A CB  1 ? 
ATOM   65   C CG  . ARG A 1 8   ? 5.726   -26.470 -18.689 1.000 15.058 0 8   ARG A CG  1 ? 
ATOM   66   C CD  . ARG A 1 8   ? 6.659   -27.454 -18.074 1.000 16.168 0 8   ARG A CD  1 ? 
ATOM   67   N NE  . ARG A 1 8   ? 8.036   -27.051 -18.343 1.000 16.656 0 8   ARG A NE  1 ? 
ATOM   68   C CZ  . ARG A 1 8   ? 9.045   -27.365 -17.587 1.000 19.754 0 8   ARG A CZ  1 ? 
ATOM   69   N NH1 . ARG A 1 8   ? 8.866   -28.092 -16.453 1.000 21.083 0 8   ARG A NH1 1 ? 
ATOM   70   N NH2 . ARG A 1 8   ? 10.229  -26.887 -17.851 1.000 20.291 0 8   ARG A NH2 1 ? 
ATOM   71   N N   . CYS A 1 9   ? 2.564   -23.458 -18.053 1.000 13.396 0 9   CYS A N   1 ? 
ATOM   72   C CA  . CYS A 1 9   ? 1.117   -23.659 -18.026 1.000 13.418 0 9   CYS A CA  1 ? 
ATOM   73   C C   . CYS A 1 9   ? 0.590   -23.571 -19.445 1.000 14.861 0 9   CYS A C   1 ? 
ATOM   74   O O   . CYS A 1 9   ? 1.140   -22.880 -20.282 1.000 15.427 0 9   CYS A O   1 ? 
ATOM   75   C CB  . CYS A 1 9   ? 0.426   -22.609 -17.153 1.000 14.019 0 9   CYS A CB  1 ? 
ATOM   76   S SG  . CYS A 1 9   ? 1.108   -22.414 -15.487 1.000 15.108 0 9   CYS A SG  1 ? 
ATOM   77   N N   . SER A 1 10  ? -0.595  -24.162 -19.628 1.000 16.846 0 10  SER A N   1 ? 
ATOM   78   C CA  A SER A 1 10  ? -1.291  -24.114 -20.901 0.770 17.843 0 10  SER A CA  1 ? 
ATOM   79   C CA  B SER A 1 10  ? -1.322  -24.135 -20.888 0.230 18.847 0 10  SER A CA  1 ? 
ATOM   80   C C   . SER A 1 10  ? -2.017  -22.796 -21.110 1.000 20.088 0 10  SER A C   1 ? 
ATOM   81   O O   . SER A 1 10  ? -2.487  -22.527 -22.205 1.000 25.021 0 10  SER A O   1 ? 
ATOM   82   C CB  A SER A 1 10  ? -2.247  -25.290 -21.035 0.770 19.848 0 10  SER A CB  1 ? 
ATOM   83   C CB  B SER A 1 10  ? -2.344  -25.254 -20.958 0.230 20.444 0 10  SER A CB  1 ? 
ATOM   84   O OG  A SER A 1 10  ? -3.222  -25.259 -20.000 0.770 22.065 0 10  SER A OG  1 ? 
ATOM   85   O OG  B SER A 1 10  ? -1.760  -26.524 -20.710 0.230 22.737 0 10  SER A OG  1 ? 
ATOM   86   N N   . TYR A 1 11  ? -2.096  -21.951 -20.080 1.000 16.778 0 11  TYR A N   1 ? 
ATOM   87   C CA  . TYR A 1 11  ? -2.737  -20.676 -20.126 1.000 16.940 0 11  TYR A CA  1 ? 
ATOM   88   C C   . TYR A 1 11  ? -1.705  -19.560 -19.907 1.000 15.579 0 11  TYR A C   1 ? 
ATOM   89   O O   . TYR A 1 11  ? -0.645  -19.797 -19.338 1.000 16.932 0 11  TYR A O   1 ? 
ATOM   90   C CB  . TYR A 1 11  ? -3.833  -20.643 -19.046 1.000 18.967 0 11  TYR A CB  1 ? 
ATOM   91   C CG  . TYR A 1 11  ? -3.423  -21.091 -17.670 1.000 19.229 0 11  TYR A CG  1 ? 
ATOM   92   C CD1 . TYR A 1 11  ? -2.834  -20.215 -16.753 1.000 18.310 0 11  TYR A CD1 1 ? 
ATOM   93   C CD2 . TYR A 1 11  ? -3.641  -22.396 -17.232 1.000 18.898 0 11  TYR A CD2 1 ? 
ATOM   94   C CE1 . TYR A 1 11  ? -2.445  -20.635 -15.499 1.000 19.688 0 11  TYR A CE1 1 ? 
ATOM   95   C CE2 . TYR A 1 11  ? -3.286  -22.817 -15.961 1.000 19.779 0 11  TYR A CE2 1 ? 
ATOM   96   C CZ  . TYR A 1 11  ? -2.693  -21.929 -15.075 1.000 19.444 0 11  TYR A CZ  1 ? 
ATOM   97   O OH  . TYR A 1 11  ? -2.319  -22.438 -13.842 1.000 20.921 0 11  TYR A OH  1 ? 
ATOM   98   N N   . THR A 1 12  ? -2.029  -18.378 -20.362 1.000 15.930 0 12  THR A N   1 ? 
ATOM   99   C CA  . THR A 1 12  ? -1.251  -17.172 -20.177 1.000 15.089 0 12  THR A CA  1 ? 
ATOM   100  C C   . THR A 1 12  ? -1.249  -16.776 -18.710 1.000 15.406 0 12  THR A C   1 ? 
ATOM   101  O O   . THR A 1 12  ? -2.239  -16.899 -17.996 1.000 17.680 0 12  THR A O   1 ? 
ATOM   102  C CB  . THR A 1 12  ? -1.809  -16.000 -20.978 1.000 17.730 0 12  THR A CB  1 ? 
ATOM   103  O OG1 . THR A 1 12  ? -1.805  -16.468 -22.346 1.000 20.440 0 12  THR A OG1 1 ? 
ATOM   104  C CG2 . THR A 1 12  ? -0.987  -14.742 -20.901 1.000 17.442 0 12  THR A CG2 1 ? 
ATOM   105  N N   . VAL A 1 13  ? -0.072  -16.393 -18.247 1.000 14.986 0 13  VAL A N   1 ? 
ATOM   106  C CA  . VAL A 1 13  ? 0.054   -15.778 -16.933 1.000 14.571 0 13  VAL A CA  1 ? 
ATOM   107  C C   . VAL A 1 13  ? 0.782   -14.477 -17.101 1.000 16.270 0 13  VAL A C   1 ? 
ATOM   108  O O   . VAL A 1 13  ? 1.466   -14.239 -18.095 1.000 17.099 0 13  VAL A O   1 ? 
ATOM   109  C CB  . VAL A 1 13  ? 0.774   -16.618 -15.892 1.000 16.464 0 13  VAL A CB  1 ? 
ATOM   110  C CG1 . VAL A 1 13  ? 0.096   -17.972 -15.727 1.000 17.709 0 13  VAL A CG1 1 ? 
ATOM   111  C CG2 . VAL A 1 13  ? 2.247   -16.774 -16.182 1.000 18.808 0 13  VAL A CG2 1 ? 
ATOM   112  N N   . TRP A 1 14  ? 0.599   -13.597 -16.139 1.000 13.589 0 14  TRP A N   1 ? 
ATOM   113  C CA  . TRP A 1 14  ? 1.289   -12.344 -16.080 1.000 14.125 0 14  TRP A CA  1 ? 
ATOM   114  C C   . TRP A 1 14  ? 2.197   -12.399 -14.875 1.000 14.447 0 14  TRP A C   1 ? 
ATOM   115  O O   . TRP A 1 14  ? 1.765   -12.319 -13.721 1.000 14.140 0 14  TRP A O   1 ? 
ATOM   116  C CB  . TRP A 1 14  ? 0.302   -11.175 -16.011 1.000 14.852 0 14  TRP A CB  1 ? 
ATOM   117  C CG  . TRP A 1 14  ? -0.414  -10.939 -17.294 1.000 15.036 0 14  TRP A CG  1 ? 
ATOM   118  C CD1 . TRP A 1 14  ? -0.094  -9.981  -18.214 1.000 18.747 0 14  TRP A CD1 1 ? 
ATOM   119  C CD2 . TRP A 1 14  ? -1.523  -11.664 -17.841 1.000 15.144 0 14  TRP A CD2 1 ? 
ATOM   120  N NE1 . TRP A 1 14  ? -0.970  -10.023 -19.261 1.000 17.616 0 14  TRP A NE1 1 ? 
ATOM   121  C CE2 . TRP A 1 14  ? -1.831  -11.055 -19.091 1.000 16.064 0 14  TRP A CE2 1 ? 
ATOM   122  C CE3 . TRP A 1 14  ? -2.282  -12.746 -17.418 1.000 16.362 0 14  TRP A CE3 1 ? 
ATOM   123  C CZ2 . TRP A 1 14  ? -2.905  -11.477 -19.869 1.000 18.248 0 14  TRP A CZ2 1 ? 
ATOM   124  C CZ3 . TRP A 1 14  ? -3.312  -13.202 -18.221 1.000 18.563 0 14  TRP A CZ3 1 ? 
ATOM   125  C CH2 . TRP A 1 14  ? -3.585  -12.575 -19.434 1.000 17.277 0 14  TRP A CH2 1 ? 
ATOM   126  N N   . ALA A 1 15  ? 3.482   -12.630 -15.126 1.000 13.658 0 15  ALA A N   1 ? 
ATOM   127  C CA  . ALA A 1 15  ? 4.461   -12.750 -14.067 1.000 13.921 0 15  ALA A CA  1 ? 
ATOM   128  C C   . ALA A 1 15  ? 4.662   -11.392 -13.430 1.000 13.295 0 15  ALA A C   1 ? 
ATOM   129  O O   . ALA A 1 15  ? 4.456   -10.363 -14.084 1.000 14.734 0 15  ALA A O   1 ? 
ATOM   130  C CB  . ALA A 1 15  ? 5.791   -13.266 -14.584 1.000 15.668 0 15  ALA A CB  1 ? 
ATOM   131  N N   . ALA A 1 16  ? 5.035   -11.412 -12.164 1.000 14.184 0 16  ALA A N   1 ? 
ATOM   132  C CA  . ALA A 1 16  ? 5.279   -10.221 -11.370 1.000 15.119 0 16  ALA A CA  1 ? 
ATOM   133  C C   . ALA A 1 16  ? 6.505   -10.456 -10.511 1.000 15.783 0 16  ALA A C   1 ? 
ATOM   134  O O   . ALA A 1 16  ? 6.733   -11.567 -10.038 1.000 16.662 0 16  ALA A O   1 ? 
ATOM   135  C CB  . ALA A 1 16  ? 4.092   -9.944  -10.470 1.000 15.832 0 16  ALA A CB  1 ? 
ATOM   136  N N   . ALA A 1 17  ? 7.289   -9.377  -10.275 1.000 16.550 0 17  ALA A N   1 ? 
ATOM   137  C CA  . ALA A 1 17  ? 8.458   -9.446  -9.437  1.000 16.462 0 17  ALA A CA  1 ? 
ATOM   138  C C   . ALA A 1 17  ? 8.608   -8.120  -8.698  1.000 16.989 0 17  ALA A C   1 ? 
ATOM   139  O O   . ALA A 1 17  ? 8.660   -7.080  -9.341  1.000 18.526 0 17  ALA A O   1 ? 
ATOM   140  C CB  . ALA A 1 17  ? 9.692   -9.729  -10.255 1.000 19.696 0 17  ALA A CB  1 ? 
ATOM   141  N N   . SER A 1 18  ? 8.635   -8.188  -7.373  1.000 15.968 0 18  SER A N   1 ? 
ATOM   142  C CA  . SER A 1 18  ? 8.629   -6.981  -6.538  1.000 17.603 0 18  SER A CA  1 ? 
ATOM   143  C C   . SER A 1 18  ? 9.400   -7.286  -5.259  1.000 18.751 0 18  SER A C   1 ? 
ATOM   144  O O   . SER A 1 18  ? 9.453   -8.405  -4.814  1.000 17.978 0 18  SER A O   1 ? 
ATOM   145  C CB  . SER A 1 18  ? 7.186   -6.600  -6.203  1.000 19.362 0 18  SER A CB  1 ? 
ATOM   146  O OG  . SER A 1 18  ? 7.092   -5.447  -5.352  1.000 23.725 0 18  SER A OG  1 ? 
ATOM   147  N N   . LYS A 1 19  ? 9.908   -6.222  -4.584  1.000 20.738 0 19  LYS A N   1 ? 
ATOM   148  C CA  . LYS A 1 19  ? 10.356  -6.338  -3.203  1.000 22.545 0 19  LYS A CA  1 ? 
ATOM   149  C C   . LYS A 1 19  ? 9.454   -5.541  -2.266  1.000 25.131 0 19  LYS A C   1 ? 
ATOM   150  O O   . LYS A 1 19  ? 9.860   -5.320  -1.122  1.000 28.932 0 19  LYS A O   1 ? 
ATOM   151  C CB  . LYS A 1 19  ? 11.854  -5.986  -3.076  1.000 25.738 0 19  LYS A CB  1 ? 
ATOM   152  C CG  . LYS A 1 19  ? 12.195  -4.524  -3.403  1.000 28.366 0 19  LYS A CG  1 ? 
ATOM   153  C CD  . LYS A 1 19  ? 13.682  -4.231  -3.151  1.000 31.732 0 19  LYS A CD  1 ? 
ATOM   154  C CE  . LYS A 1 19  ? 14.042  -2.801  -3.287  1.000 42.012 0 19  LYS A CE  1 ? 
ATOM   155  N NZ  . LYS A 1 19  ? 13.679  -2.062  -2.070  1.000 44.967 0 19  LYS A NZ  1 ? 
ATOM   156  N N   . GLY A 1 20  ? 8.253   -5.170  -2.710  1.000 23.926 0 20  GLY A N   1 ? 
ATOM   157  C CA  . GLY A 1 20  ? 7.196   -4.649  -1.841  1.000 25.773 0 20  GLY A CA  1 ? 
ATOM   158  C C   . GLY A 1 20  ? 7.108   -3.122  -1.874  1.000 26.741 0 20  GLY A C   1 ? 
ATOM   159  O O   . GLY A 1 20  ? 5.999   -2.589  -1.859  1.000 27.560 0 20  GLY A O   1 ? 
ATOM   160  N N   . ASP A 1 21  ? 8.255   -2.452  -2.034  1.000 29.563 0 21  ASP A N   1 ? 
ATOM   161  C CA  . ASP A 1 21  ? 8.292   -1.007  -2.170  1.000 31.971 0 21  ASP A CA  1 ? 
ATOM   162  C C   . ASP A 1 21  ? 8.821   -0.593  -3.544  1.000 32.636 0 21  ASP A C   1 ? 
ATOM   163  O O   . ASP A 1 21  ? 8.914   0.598   -3.835  1.000 33.721 0 21  ASP A O   1 ? 
ATOM   164  C CB  . ASP A 1 21  ? 9.095   -0.426  -1.007  1.000 35.878 0 21  ASP A CB  1 ? 
ATOM   165  C CG  . ASP A 1 21  ? 10.572  -0.781  -1.020  1.000 41.243 0 21  ASP A CG  1 ? 
ATOM   166  O OD1 . ASP A 1 21  ? 10.973  -1.717  -1.757  1.000 35.203 0 21  ASP A OD1 1 ? 
ATOM   167  O OD2 . ASP A 1 21  ? 11.350  -0.064  -0.366  1.000 52.149 0 21  ASP A OD2 1 ? 
ATOM   168  N N   . ALA A 1 22  ? 9.140   -1.560  -4.423  1.000 26.810 0 22  ALA A N   1 ? 
ATOM   169  C CA  . ALA A 1 22  ? 9.708   -1.294  -5.731  1.000 23.598 0 22  ALA A CA  1 ? 
ATOM   170  C C   . ALA A 1 22  ? 9.548   -2.527  -6.619  1.000 21.289 0 22  ALA A C   1 ? 
ATOM   171  O O   . ALA A 1 22  ? 9.568   -3.646  -6.099  1.000 22.422 0 22  ALA A O   1 ? 
ATOM   172  C CB  . ALA A 1 22  ? 11.170  -0.975  -5.615  1.000 25.705 0 22  ALA A CB  1 ? 
ATOM   173  N N   . ALA A 1 23  ? 9.490   -2.297  -7.922  1.000 21.243 0 23  ALA A N   1 ? 
ATOM   174  C CA  . ALA A 1 23  ? 9.602   -3.378  -8.872  1.000 21.467 0 23  ALA A CA  1 ? 
ATOM   175  C C   . ALA A 1 23  ? 10.995  -3.970  -8.815  1.000 25.976 0 23  ALA A C   1 ? 
ATOM   176  O O   . ALA A 1 23  ? 11.964  -3.271  -8.518  1.000 26.277 0 23  ALA A O   1 ? 
ATOM   177  C CB  . ALA A 1 23  ? 9.323   -2.858  -10.235 1.000 23.928 0 23  ALA A CB  1 ? 
ATOM   178  N N   . LEU A 1 24  ? 11.084  -5.267  -9.121  1.000 20.034 0 24  LEU A N   1 ? 
ATOM   179  C CA  . LEU A 1 24  ? 12.319  -5.886  -9.537  1.000 19.928 0 24  LEU A CA  1 ? 
ATOM   180  C C   . LEU A 1 24  ? 12.341  -5.942  -11.057 1.000 21.710 0 24  LEU A C   1 ? 
ATOM   181  O O   . LEU A 1 24  ? 11.409  -6.443  -11.673 1.000 20.526 0 24  LEU A O   1 ? 
ATOM   182  C CB  . LEU A 1 24  ? 12.462  -7.283  -8.967  1.000 20.942 0 24  LEU A CB  1 ? 
ATOM   183  C CG  . LEU A 1 24  ? 12.468  -7.332  -7.437  1.000 23.011 0 24  LEU A CG  1 ? 
ATOM   184  C CD1 . LEU A 1 24  ? 12.549  -8.754  -6.974  1.000 23.362 0 24  LEU A CD1 1 ? 
ATOM   185  C CD2 . LEU A 1 24  ? 13.605  -6.467  -6.863  1.000 26.173 0 24  LEU A CD2 1 ? 
ATOM   186  N N   . ASP A 1 25  ? 13.426  -5.465  -11.682 1.000 22.131 0 25  ASP A N   1 ? 
ATOM   187  C CA  . ASP A 1 25  ? 13.482  -5.380  -13.129 1.000 21.754 0 25  ASP A CA  1 ? 
ATOM   188  C C   . ASP A 1 25  ? 12.242  -4.587  -13.588 1.000 19.343 0 25  ASP A C   1 ? 
ATOM   189  O O   . ASP A 1 25  ? 11.843  -3.600  -12.991 1.000 23.446 0 25  ASP A O   1 ? 
ATOM   190  C CB  . ASP A 1 25  ? 13.732  -6.755  -13.721 1.000 21.455 0 25  ASP A CB  1 ? 
ATOM   191  C CG  . ASP A 1 25  ? 14.248  -6.817  -15.157 1.000 25.001 0 25  ASP A CG  1 ? 
ATOM   192  O OD1 . ASP A 1 25  ? 13.478  -6.435  -16.064 1.000 26.839 0 25  ASP A OD1 1 ? 
ATOM   193  O OD2 . ASP A 1 25  ? 15.397  -7.284  -15.353 1.000 26.173 0 25  ASP A OD2 1 ? 
ATOM   194  N N   . ALA A 1 26  ? 11.628  -5.000  -14.677 1.000 20.130 0 26  ALA A N   1 ? 
ATOM   195  C CA  . ALA A 1 26  ? 10.439  -4.353  -15.195 1.000 22.223 0 26  ALA A CA  1 ? 
ATOM   196  C C   . ALA A 1 26  ? 9.223   -4.526  -14.283 1.000 22.872 0 26  ALA A C   1 ? 
ATOM   197  O O   . ALA A 1 26  ? 8.253   -3.800  -14.424 1.000 26.515 0 26  ALA A O   1 ? 
ATOM   198  C CB  . ALA A 1 26  ? 10.151  -4.841  -16.593 1.000 24.747 0 26  ALA A CB  1 ? 
ATOM   199  N N   . GLY A 1 27  ? 9.228   -5.491  -13.359 1.000 18.821 0 27  GLY A N   1 ? 
ATOM   200  C CA  . GLY A 1 27  ? 8.142   -5.629  -12.411 1.000 17.837 0 27  GLY A CA  1 ? 
ATOM   201  C C   . GLY A 1 27  ? 7.038   -6.574  -12.881 1.000 17.483 0 27  GLY A C   1 ? 
ATOM   202  O O   . GLY A 1 27  ? 6.333   -7.122  -12.036 1.000 18.063 0 27  GLY A O   1 ? 
ATOM   203  N N   . GLY A 1 28  ? 6.829   -6.732  -14.175 1.000 18.245 0 28  GLY A N   1 ? 
ATOM   204  C CA  . GLY A 1 28  ? 5.785   -7.626  -14.641 1.000 18.066 0 28  GLY A CA  1 ? 
ATOM   205  C C   . GLY A 1 28  ? 5.814   -7.753  -16.142 1.000 19.166 0 28  GLY A C   1 ? 
ATOM   206  O O   . GLY A 1 28  ? 6.344   -6.887  -16.830 1.000 19.509 0 28  GLY A O   1 ? 
ATOM   207  N N   . ARG A 1 29  ? 5.292   -8.875  -16.652 1.000 16.565 0 29  ARG A N   1 ? 
ATOM   208  C CA  . ARG A 1 29  ? 5.226   -9.103  -18.077 1.000 17.283 0 29  ARG A CA  1 ? 
ATOM   209  C C   . ARG A 1 29  ? 4.208   -10.192 -18.333 1.000 16.693 0 29  ARG A C   1 ? 
ATOM   210  O O   . ARG A 1 29  ? 4.119   -11.139 -17.554 1.000 17.090 0 29  ARG A O   1 ? 
ATOM   211  C CB  . ARG A 1 29  ? 6.597   -9.536  -18.609 1.000 21.532 0 29  ARG A CB  1 ? 
ATOM   212  C CG  . ARG A 1 29  ? 6.739   -8.998  -20.020 1.000 24.590 0 29  ARG A CG  1 ? 
ATOM   213  C CD  . ARG A 1 29  ? 7.844   -9.788  -20.699 1.000 22.817 0 29  ARG A CD  1 ? 
ATOM   214  N NE  . ARG A 1 29  ? 7.363   -11.079 -21.175 1.000 21.038 0 29  ARG A NE  1 ? 
ATOM   215  C CZ  . ARG A 1 29  ? 8.058   -11.842 -21.980 1.000 22.346 0 29  ARG A CZ  1 ? 
ATOM   216  N NH1 . ARG A 1 29  ? 9.352   -11.616 -22.141 1.000 22.353 0 29  ARG A NH1 1 ? 
ATOM   217  N NH2 . ARG A 1 29  ? 7.461   -12.860 -22.572 1.000 21.560 0 29  ARG A NH2 1 ? 
ATOM   218  N N   . GLN A 1 30  ? 3.585   -10.168 -19.502 1.000 16.337 0 30  GLN A N   1 ? 
ATOM   219  C CA  . GLN A 1 30  ? 2.790   -11.295 -19.969 1.000 14.719 0 30  GLN A CA  1 ? 
ATOM   220  C C   . GLN A 1 30  ? 3.714   -12.422 -20.422 1.000 16.133 0 30  GLN A C   1 ? 
ATOM   221  O O   . GLN A 1 30  ? 4.711   -12.219 -21.127 1.000 17.683 0 30  GLN A O   1 ? 
ATOM   222  C CB  . GLN A 1 30  ? 1.932   -10.810 -21.146 1.000 16.788 0 30  GLN A CB  1 ? 
ATOM   223  C CG  . GLN A 1 30  ? 1.020   -11.890 -21.698 1.000 17.982 0 30  GLN A CG  1 ? 
ATOM   224  C CD  . GLN A 1 30  ? 0.072   -11.401 -22.784 1.000 22.374 0 30  GLN A CD  1 ? 
ATOM   225  O OE1 . GLN A 1 30  ? -0.452  -10.293 -22.711 1.000 26.482 0 30  GLN A OE1 1 ? 
ATOM   226  N NE2 . GLN A 1 30  ? -0.134  -12.217 -23.801 1.000 25.564 0 30  GLN A NE2 1 ? 
ATOM   227  N N   . LEU A 1 31  ? 3.342   -13.644 -20.053 1.000 13.715 0 31  LEU A N   1 ? 
ATOM   228  C CA  . LEU A 1 31  ? 4.006   -14.851 -20.506 1.000 14.423 0 31  LEU A CA  1 ? 
ATOM   229  C C   . LEU A 1 31  ? 2.942   -15.744 -21.102 1.000 14.763 0 31  LEU A C   1 ? 
ATOM   230  O O   . LEU A 1 31  ? 2.187   -16.383 -20.372 1.000 15.410 0 31  LEU A O   1 ? 
ATOM   231  C CB  . LEU A 1 31  ? 4.732   -15.640 -19.419 1.000 16.087 0 31  LEU A CB  1 ? 
ATOM   232  C CG  . LEU A 1 31  ? 5.946   -14.987 -18.787 1.000 20.852 0 31  LEU A CG  1 ? 
ATOM   233  C CD1 . LEU A 1 31  ? 6.468   -15.876 -17.677 1.000 22.318 0 31  LEU A CD1 1 ? 
ATOM   234  C CD2 . LEU A 1 31  ? 6.995   -14.804 -19.776 1.000 24.925 0 31  LEU A CD2 1 ? 
ATOM   235  N N   . ASN A 1 32  ? 2.958   -15.924 -22.425 1.000 14.729 0 32  ASN A N   1 ? 
ATOM   236  C CA  . ASN A 1 32  ? 2.135   -16.938 -23.026 1.000 15.600 0 32  ASN A CA  1 ? 
ATOM   237  C C   . ASN A 1 32  ? 2.713   -18.301 -22.692 1.000 14.594 0 32  ASN A C   1 ? 
ATOM   238  O O   . ASN A 1 32  ? 3.842   -18.416 -22.205 1.000 15.400 0 32  ASN A O   1 ? 
ATOM   239  C CB  . ASN A 1 32  ? 2.033   -16.714 -24.525 1.000 16.916 0 32  ASN A CB  1 ? 
ATOM   240  C CG  . ASN A 1 32  ? 1.340   -15.418 -24.868 1.000 22.784 0 32  ASN A CG  1 ? 
ATOM   241  O OD1 . ASN A 1 32  ? 0.432   -15.020 -24.155 1.000 25.419 0 32  ASN A OD1 1 ? 
ATOM   242  N ND2 . ASN A 1 32  ? 1.705   -14.775 -25.969 1.000 30.207 0 32  ASN A ND2 1 ? 
ATOM   243  N N   . SER A 1 33  ? 1.946   -19.364 -22.953 1.000 14.772 0 33  SER A N   1 ? 
ATOM   244  C CA  . SER A 1 33  ? 2.355   -20.708 -22.702 1.000 14.235 0 33  SER A CA  1 ? 
ATOM   245  C C   . SER A 1 33  ? 3.670   -20.990 -23.406 1.000 14.559 0 33  SER A C   1 ? 
ATOM   246  O O   . SER A 1 33  ? 3.735   -20.933 -24.658 1.000 14.794 0 33  SER A O   1 ? 
ATOM   247  C CB  . SER A 1 33  ? 1.296   -21.666 -23.126 1.000 15.969 0 33  SER A CB  1 ? 
ATOM   248  O OG  . SER A 1 33  ? 1.727   -22.996 -22.982 1.000 17.434 0 33  SER A OG  1 ? 
ATOM   249  N N   . GLY A 1 34  ? 4.658   -21.394 -22.629 1.000 14.253 0 34  GLY A N   1 ? 
ATOM   250  C CA  . GLY A 1 34  ? 5.976   -21.698 -23.123 1.000 14.645 0 34  GLY A CA  1 ? 
ATOM   251  C C   . GLY A 1 34  ? 6.982   -20.570 -23.078 1.000 14.405 0 34  GLY A C   1 ? 
ATOM   252  O O   . GLY A 1 34  ? 8.174   -20.842 -23.233 1.000 16.532 0 34  GLY A O   1 ? 
ATOM   253  N N   . GLU A 1 35  ? 6.567   -19.313 -22.868 1.000 14.177 0 35  GLU A N   1 ? 
ATOM   254  C CA  . GLU A 1 35  ? 7.475   -18.188 -22.899 1.000 13.710 0 35  GLU A CA  1 ? 
ATOM   255  C C   . GLU A 1 35  ? 8.355   -18.107 -21.647 1.000 14.255 0 35  GLU A C   1 ? 
ATOM   256  O O   . GLU A 1 35  ? 7.944   -18.540 -20.556 1.000 15.609 0 35  GLU A O   1 ? 
ATOM   257  C CB  . GLU A 1 35  ? 6.721   -16.886 -23.095 1.000 14.140 0 35  GLU A CB  1 ? 
ATOM   258  C CG  . GLU A 1 35  ? 6.191   -16.726 -24.512 1.000 15.418 0 35  GLU A CG  1 ? 
ATOM   259  C CD  . GLU A 1 35  ? 5.574   -15.401 -24.818 1.000 18.015 0 35  GLU A CD  1 ? 
ATOM   260  O OE1 . GLU A 1 35  ? 5.114   -14.706 -23.878 1.000 17.130 0 35  GLU A OE1 1 ? 
ATOM   261  O OE2 . GLU A 1 35  ? 5.604   -15.010 -26.019 1.000 21.643 0 35  GLU A OE2 1 ? 
ATOM   262  N N   . SER A 1 36  ? 9.536   -17.526 -21.796 1.000 14.480 0 36  SER A N   1 ? 
ATOM   263  C CA  . SER A 1 36  ? 10.520  -17.373 -20.741 1.000 15.319 0 36  SER A CA  1 ? 
ATOM   264  C C   . SER A 1 36  ? 10.882  -15.906 -20.701 1.000 17.202 0 36  SER A C   1 ? 
ATOM   265  O O   . SER A 1 36  ? 11.070  -15.283 -21.735 1.000 19.049 0 36  SER A O   1 ? 
ATOM   266  C CB  . SER A 1 36  ? 11.742  -18.186 -21.057 1.000 17.451 0 36  SER A CB  1 ? 
ATOM   267  O OG  . SER A 1 36  ? 11.462  -19.563 -21.166 1.000 18.032 0 36  SER A OG  1 ? 
ATOM   268  N N   . TRP A 1 37  ? 11.023  -15.367 -19.496 1.000 16.809 0 37  TRP A N   1 ? 
ATOM   269  C CA  . TRP A 1 37  ? 11.347  -13.977 -19.233 1.000 16.304 0 37  TRP A CA  1 ? 
ATOM   270  C C   . TRP A 1 37  ? 12.557  -14.006 -18.314 1.000 17.830 0 37  TRP A C   1 ? 
ATOM   271  O O   . TRP A 1 37  ? 12.485  -14.552 -17.235 1.000 17.896 0 37  TRP A O   1 ? 
ATOM   272  C CB  . TRP A 1 37  ? 10.154  -13.265 -18.616 1.000 19.287 0 37  TRP A CB  1 ? 
ATOM   273  C CG  . TRP A 1 37  ? 10.387  -11.850 -18.196 1.000 20.333 0 37  TRP A CG  1 ? 
ATOM   274  C CD1 . TRP A 1 37  ? 11.139  -10.920 -18.829 1.000 23.770 0 37  TRP A CD1 1 ? 
ATOM   275  C CD2 . TRP A 1 37  ? 9.771   -11.211 -17.068 1.000 20.887 0 37  TRP A CD2 1 ? 
ATOM   276  N NE1 . TRP A 1 37  ? 10.978  -9.713  -18.187 1.000 24.955 0 37  TRP A NE1 1 ? 
ATOM   277  C CE2 . TRP A 1 37  ? 10.172  -9.856  -17.117 1.000 22.751 0 37  TRP A CE2 1 ? 
ATOM   278  C CE3 . TRP A 1 37  ? 8.967   -11.653 -16.024 1.000 20.757 0 37  TRP A CE3 1 ? 
ATOM   279  C CZ2 . TRP A 1 37  ? 9.788   -8.958  -16.136 1.000 22.883 0 37  TRP A CZ2 1 ? 
ATOM   280  C CZ3 . TRP A 1 37  ? 8.562   -10.743 -15.064 1.000 23.149 0 37  TRP A CZ3 1 ? 
ATOM   281  C CH2 . TRP A 1 37  ? 8.990   -9.418  -15.125 1.000 24.061 0 37  TRP A CH2 1 ? 
ATOM   282  N N   . THR A 1 38  ? 13.667  -13.360 -18.701 1.000 18.306 0 38  THR A N   1 ? 
ATOM   283  C CA  . THR A 1 38  ? 14.858  -13.311 -17.872 1.000 20.060 0 38  THR A CA  1 ? 
ATOM   284  C C   . THR A 1 38  ? 14.963  -11.920 -17.253 1.000 18.600 0 38  THR A C   1 ? 
ATOM   285  O O   . THR A 1 38  ? 14.894  -10.915 -17.951 1.000 21.595 0 38  THR A O   1 ? 
ATOM   286  C CB  . THR A 1 38  ? 16.088  -13.609 -18.732 1.000 25.342 0 38  THR A CB  1 ? 
ATOM   287  O OG1 . THR A 1 38  ? 15.951  -14.935 -19.260 1.000 28.505 0 38  THR A OG1 1 ? 
ATOM   288  C CG2 . THR A 1 38  ? 17.352  -13.568 -17.908 1.000 29.153 0 38  THR A CG2 1 ? 
ATOM   289  N N   . ILE A 1 39  ? 15.057  -11.893 -15.934 1.000 20.008 0 39  ILE A N   1 ? 
ATOM   290  C CA  . ILE A 1 39  ? 15.213  -10.664 -15.177 1.000 19.916 0 39  ILE A CA  1 ? 
ATOM   291  C C   . ILE A 1 39  ? 16.535  -10.675 -14.441 1.000 18.827 0 39  ILE A C   1 ? 
ATOM   292  O O   . ILE A 1 39  ? 17.104  -11.692 -14.101 1.000 19.926 0 39  ILE A O   1 ? 
ATOM   293  C CB  . ILE A 1 39  ? 14.031  -10.416 -14.238 1.000 21.329 0 39  ILE A CB  1 ? 
ATOM   294  C CG1 . ILE A 1 39  ? 13.909  -11.437 -13.137 1.000 19.220 0 39  ILE A CG1 1 ? 
ATOM   295  C CG2 . ILE A 1 39  ? 12.767  -10.223 -15.081 1.000 23.402 0 39  ILE A CG2 1 ? 
ATOM   296  C CD1 . ILE A 1 39  ? 12.966  -11.031 -12.017 1.000 21.239 0 39  ILE A CD1 1 ? 
ATOM   297  N N   . ASN A 1 40  ? 16.961  -9.443  -14.131 1.000 20.266 0 40  ASN A N   1 ? 
ATOM   298  C CA  . ASN A 1 40  ? 18.143  -9.238  -13.314 1.000 20.534 0 40  ASN A CA  1 ? 
ATOM   299  C C   . ASN A 1 40  ? 17.678  -8.602  -12.020 1.000 20.039 0 40  ASN A C   1 ? 
ATOM   300  O O   . ASN A 1 40  ? 16.949  -7.607  -12.041 1.000 24.321 0 40  ASN A O   1 ? 
ATOM   301  C CB  . ASN A 1 40  ? 19.132  -8.326  -14.040 1.000 25.989 0 40  ASN A CB  1 ? 
ATOM   302  C CG  . ASN A 1 40  ? 19.787  -9.055  -15.189 1.000 35.729 0 40  ASN A CG  1 ? 
ATOM   303  O OD1 . ASN A 1 40  ? 20.550  -10.011 -14.979 1.000 43.204 0 40  ASN A OD1 1 ? 
ATOM   304  N ND2 . ASN A 1 40  ? 19.384  -8.723  -16.405 1.000 41.717 0 40  ASN A ND2 1 ? 
ATOM   305  N N   . VAL A 1 41  ? 18.111  -9.206  -10.936 1.000 20.815 0 41  VAL A N   1 ? 
ATOM   306  C CA  . VAL A 1 41  ? 17.816  -8.772  -9.579  1.000 21.987 0 41  VAL A CA  1 ? 
ATOM   307  C C   . VAL A 1 41  ? 19.119  -8.328  -8.920  1.000 22.544 0 41  VAL A C   1 ? 
ATOM   308  O O   . VAL A 1 41  ? 20.086  -9.071  -8.909  1.000 22.895 0 41  VAL A O   1 ? 
ATOM   309  C CB  . VAL A 1 41  ? 17.167  -9.906  -8.801  1.000 22.102 0 41  VAL A CB  1 ? 
ATOM   310  C CG1 . VAL A 1 41  ? 16.929  -9.512  -7.358  1.000 22.250 0 41  VAL A CG1 1 ? 
ATOM   311  C CG2 . VAL A 1 41  ? 15.851  -10.331 -9.456  1.000 24.986 0 41  VAL A CG2 1 ? 
ATOM   312  N N   . GLU A 1 42  ? 19.087  -7.108  -8.376  1.000 23.565 0 42  GLU A N   1 ? 
ATOM   313  C CA  . GLU A 1 42  ? 20.293  -6.531  -7.770  1.000 25.167 0 42  GLU A CA  1 ? 
ATOM   314  C C   . GLU A 1 42  ? 20.785  -7.416  -6.632  1.000 24.661 0 42  GLU A C   1 ? 
ATOM   315  O O   . GLU A 1 42  ? 20.027  -7.896  -5.784  1.000 21.978 0 42  GLU A O   1 ? 
ATOM   316  C CB  . GLU A 1 42  ? 20.031  -5.099  -7.291  1.000 30.610 0 42  GLU A CB  1 ? 
ATOM   317  C CG  . GLU A 1 42  ? 21.282  -4.225  -7.434  1.000 46.424 0 42  GLU A CG  1 ? 
ATOM   318  C CD  . GLU A 1 42  ? 21.461  -3.012  -6.540  0.230 44.497 0 42  GLU A CD  1 ? 
ATOM   319  O OE1 . GLU A 1 42  ? 22.482  -2.324  -6.775  0.690 48.192 0 42  GLU A OE1 1 ? 
ATOM   320  O OE2 . GLU A 1 42  ? 20.654  -2.767  -5.617  0.620 46.210 0 42  GLU A OE2 1 ? 
ATOM   321  N N   . PRO A 1 43  ? 22.094  -7.708  -6.535  1.000 22.501 0 43  PRO A N   1 ? 
ATOM   322  C CA  . PRO A 1 43  ? 22.630  -8.356  -5.343  1.000 22.135 0 43  PRO A CA  1 ? 
ATOM   323  C C   . PRO A 1 43  ? 22.257  -7.602  -4.070  1.000 21.375 0 43  PRO A C   1 ? 
ATOM   324  O O   . PRO A 1 43  ? 22.048  -6.387  -4.065  1.000 24.198 0 43  PRO A O   1 ? 
ATOM   325  C CB  . PRO A 1 43  ? 24.170  -8.339  -5.543  1.000 25.928 0 43  PRO A CB  1 ? 
ATOM   326  C CG  . PRO A 1 43  ? 24.346  -8.093  -7.017  1.000 27.412 0 43  PRO A CG  1 ? 
ATOM   327  C CD  . PRO A 1 43  ? 23.135  -7.406  -7.547  1.000 25.245 0 43  PRO A CD  1 ? 
ATOM   328  N N   . GLY A 1 44  ? 22.033  -8.382  -3.022  1.000 23.477 0 44  GLY A N   1 ? 
ATOM   329  C CA  . GLY A 1 44  ? 21.696  -7.807  -1.735  1.000 26.622 0 44  GLY A CA  1 ? 
ATOM   330  C C   . GLY A 1 44  ? 20.198  -7.590  -1.564  1.000 26.801 0 44  GLY A C   1 ? 
ATOM   331  O O   . GLY A 1 44  ? 19.755  -7.117  -0.513  1.000 25.842 0 44  GLY A O   1 ? 
ATOM   332  N N   . THR A 1 45  ? 19.401  -7.946  -2.580  1.000 22.535 0 45  THR A N   1 ? 
ATOM   333  C CA  . THR A 1 45  ? 17.957  -7.756  -2.494  1.000 21.315 0 45  THR A CA  1 ? 
ATOM   334  C C   . THR A 1 45  ? 17.398  -8.644  -1.384  1.000 21.026 0 45  THR A C   1 ? 
ATOM   335  O O   . THR A 1 45  ? 17.587  -9.852  -1.356  1.000 22.428 0 45  THR A O   1 ? 
ATOM   336  C CB  . THR A 1 45  ? 17.288  -8.062  -3.829  1.000 22.795 0 45  THR A CB  1 ? 
ATOM   337  O OG1 . THR A 1 45  ? 17.675  -7.096  -4.804  1.000 24.504 0 45  THR A OG1 1 ? 
ATOM   338  C CG2 . THR A 1 45  ? 15.771  -8.042  -3.754  1.000 26.013 0 45  THR A CG2 1 ? 
ATOM   339  N N   . ASN A 1 46  ? 16.654  -8.014  -0.474  1.000 21.670 0 46  ASN A N   1 ? 
ATOM   340  C CA  . ASN A 1 46  ? 16.069  -8.663  0.673   1.000 24.410 0 46  ASN A CA  1 ? 
ATOM   341  C C   . ASN A 1 46  ? 14.557  -8.601  0.531   1.000 21.754 0 46  ASN A C   1 ? 
ATOM   342  O O   . ASN A 1 46  ? 14.006  -7.561  0.208   1.000 25.032 0 46  ASN A O   1 ? 
ATOM   343  C CB  . ASN A 1 46  ? 16.439  -7.889  1.939   1.000 29.622 0 46  ASN A CB  1 ? 
ATOM   344  C CG  . ASN A 1 46  ? 16.457  -8.702  3.208   1.000 44.449 0 46  ASN A CG  1 ? 
ATOM   345  O OD1 . ASN A 1 46  ? 15.634  -9.596  3.418   1.000 53.175 0 46  ASN A OD1 1 ? 
ATOM   346  N ND2 . ASN A 1 46  ? 17.387  -8.374  4.096   1.000 55.334 0 46  ASN A ND2 1 ? 
ATOM   347  N N   . GLY A 1 47  ? 13.908  -9.759  0.624   1.000 21.006 0 47  GLY A N   1 ? 
ATOM   348  C CA  . GLY A 1 47  ? 12.458  -9.726  0.649   1.000 21.512 0 47  GLY A CA  1 ? 
ATOM   349  C C   . GLY A 1 47  ? 11.818  -9.642  -0.737  1.000 20.119 0 47  GLY A C   1 ? 
ATOM   350  O O   . GLY A 1 47  ? 10.745  -9.041  -0.914  1.000 22.309 0 47  GLY A O   1 ? 
ATOM   351  N N   . GLY A 1 48  ? 12.498  -10.181 -1.744  1.000 17.499 0 48  GLY A N   1 ? 
ATOM   352  C CA  . GLY A 1 48  ? 11.926  -10.236 -3.074  1.000 16.127 0 48  GLY A CA  1 ? 
ATOM   353  C C   . GLY A 1 48  ? 10.921  -11.385 -3.209  1.000 14.558 0 48  GLY A C   1 ? 
ATOM   354  O O   . GLY A 1 48  ? 11.046  -12.410 -2.551  1.000 16.862 0 48  GLY A O   1 ? 
ATOM   355  N N   . LYS A 1 49  ? 9.925   -11.157 -4.085  1.000 15.574 0 49  LYS A N   1 ? 
ATOM   356  C CA  . LYS A 1 49  ? 8.942   -12.180 -4.383  1.000 15.735 0 49  LYS A CA  1 ? 
ATOM   357  C C   . LYS A 1 49  ? 8.657   -12.171 -5.880  1.000 15.066 0 49  LYS A C   1 ? 
ATOM   358  O O   . LYS A 1 49  ? 8.599   -11.120 -6.523  1.000 16.828 0 49  LYS A O   1 ? 
ATOM   359  C CB  . LYS A 1 49  ? 7.658   -11.958 -3.597  1.000 15.050 0 49  LYS A CB  1 ? 
ATOM   360  C CG  . LYS A 1 49  ? 7.831   -11.830 -2.125  1.000 19.219 0 49  LYS A CG  1 ? 
ATOM   361  C CD  . LYS A 1 49  ? 6.551   -11.842 -1.328  1.000 20.913 0 49  LYS A CD  1 ? 
ATOM   362  C CE  . LYS A 1 49  ? 6.698   -11.422 0.141   1.000 23.136 0 49  LYS A CE  1 ? 
ATOM   363  N NZ  . LYS A 1 49  ? 7.645   -12.200 0.907   1.000 25.234 0 49  LYS A NZ  1 ? 
ATOM   364  N N   . ILE A 1 50  ? 8.393   -13.355 -6.384  1.000 13.521 0 50  ILE A N   1 ? 
ATOM   365  C CA  . ILE A 1 50  ? 7.903   -13.573 -7.748  1.000 14.637 0 50  ILE A CA  1 ? 
ATOM   366  C C   . ILE A 1 50  ? 6.620   -14.373 -7.644  1.000 14.060 0 50  ILE A C   1 ? 
ATOM   367  O O   . ILE A 1 50  ? 6.539   -15.319 -6.864  1.000 14.545 0 50  ILE A O   1 ? 
ATOM   368  C CB  . ILE A 1 50  ? 8.938   -14.323 -8.610  1.000 15.955 0 50  ILE A CB  1 ? 
ATOM   369  C CG1 . ILE A 1 50  ? 10.080  -13.370 -8.916  1.000 17.371 0 50  ILE A CG1 1 ? 
ATOM   370  C CG2 . ILE A 1 50  ? 8.339   -14.843 -9.906  1.000 17.190 0 50  ILE A CG2 1 ? 
ATOM   371  C CD1 . ILE A 1 50  ? 11.363  -14.047 -9.374  1.000 19.831 0 50  ILE A CD1 1 ? 
ATOM   372  N N   . TRP A 1 51  ? 5.637   -13.990 -8.448  1.000 13.432 0 51  TRP A N   1 ? 
ATOM   373  C CA  . TRP A 1 51  ? 4.361   -14.694 -8.498  1.000 13.496 0 51  TRP A CA  1 ? 
ATOM   374  C C   . TRP A 1 51  ? 3.777   -14.576 -9.891  1.000 13.343 0 51  TRP A C   1 ? 
ATOM   375  O O   . TRP A 1 51  ? 4.218   -13.770 -10.723 1.000 13.646 0 51  TRP A O   1 ? 
ATOM   376  C CB  . TRP A 1 51  ? 3.400   -14.185 -7.425  1.000 14.100 0 51  TRP A CB  1 ? 
ATOM   377  C CG  . TRP A 1 51  ? 2.882   -12.798 -7.578  1.000 14.490 0 51  TRP A CG  1 ? 
ATOM   378  C CD1 . TRP A 1 51  ? 1.644   -12.423 -8.008  1.000 13.638 0 51  TRP A CD1 1 ? 
ATOM   379  C CD2 . TRP A 1 51  ? 3.570   -11.565 -7.238  1.000 15.393 0 51  TRP A CD2 1 ? 
ATOM   380  N NE1 . TRP A 1 51  ? 1.508   -11.065 -7.947  1.000 15.561 0 51  TRP A NE1 1 ? 
ATOM   381  C CE2 . TRP A 1 51  ? 2.670   -10.521 -7.485  1.000 15.189 0 51  TRP A CE2 1 ? 
ATOM   382  C CE3 . TRP A 1 51  ? 4.845   -11.255 -6.752  1.000 15.834 0 51  TRP A CE3 1 ? 
ATOM   383  C CZ2 . TRP A 1 51  ? 2.981   -9.192  -7.287  1.000 16.951 0 51  TRP A CZ2 1 ? 
ATOM   384  C CZ3 . TRP A 1 51  ? 5.166   -9.909  -6.615  1.000 17.613 0 51  TRP A CZ3 1 ? 
ATOM   385  C CH2 . TRP A 1 51  ? 4.238   -8.916  -6.835  1.000 18.035 0 51  TRP A CH2 1 ? 
ATOM   386  N N   . ALA A 1 52  ? 2.755   -15.393 -10.129 1.000 13.630 0 52  ALA A N   1 ? 
ATOM   387  C CA  . ALA A 1 52  ? 1.945   -15.333 -11.319 1.000 13.380 0 52  ALA A CA  1 ? 
ATOM   388  C C   . ALA A 1 52  ? 0.612   -14.694 -10.998 1.000 13.772 0 52  ALA A C   1 ? 
ATOM   389  O O   . ALA A 1 52  ? 0.067   -14.819 -9.895  1.000 15.018 0 52  ALA A O   1 ? 
ATOM   390  C CB  . ALA A 1 52  ? 1.744   -16.747 -11.838 1.000 15.060 0 52  ALA A CB  1 ? 
ATOM   391  N N   . ARG A 1 53  ? 0.103   -13.979 -11.982 1.000 13.293 0 53  ARG A N   1 ? 
ATOM   392  C CA  . ARG A 1 53  ? -1.251  -13.439 -11.965 1.000 13.823 0 53  ARG A CA  1 ? 
ATOM   393  C C   . ARG A 1 53  ? -2.033  -14.073 -13.087 1.000 14.252 0 53  ARG A C   1 ? 
ATOM   394  O O   . ARG A 1 53  ? -1.490  -14.303 -14.183 1.000 14.796 0 53  ARG A O   1 ? 
ATOM   395  C CB  . ARG A 1 53  ? -1.238  -11.928 -12.198 1.000 14.488 0 53  ARG A CB  1 ? 
ATOM   396  C CG  . ARG A 1 53  ? -0.371  -11.270 -11.149 1.000 14.501 0 53  ARG A CG  1 ? 
ATOM   397  C CD  . ARG A 1 53  ? -0.140  -9.812  -11.456 1.000 15.775 0 53  ARG A CD  1 ? 
ATOM   398  N NE  . ARG A 1 53  ? 0.839   -9.705  -12.537 1.000 15.711 0 53  ARG A NE  1 ? 
ATOM   399  C CZ  . ARG A 1 53  ? 1.186   -8.533  -13.092 1.000 16.465 0 53  ARG A CZ  1 ? 
ATOM   400  N NH1 . ARG A 1 53  ? 0.526   -7.413  -12.827 1.000 18.390 0 53  ARG A NH1 1 ? 
ATOM   401  N NH2 . ARG A 1 53  ? 2.175   -8.495  -13.958 1.000 18.325 0 53  ARG A NH2 1 ? 
ATOM   402  N N   . THR A 1 54  ? -3.313  -14.341 -12.868 1.000 14.443 0 54  THR A N   1 ? 
ATOM   403  C CA  . THR A 1 54  ? -4.195  -14.954 -13.854 1.000 14.518 0 54  THR A CA  1 ? 
ATOM   404  C C   . THR A 1 54  ? -5.363  -14.052 -14.214 1.000 17.005 0 54  THR A C   1 ? 
ATOM   405  O O   . THR A 1 54  ? -5.766  -13.174 -13.457 1.000 17.277 0 54  THR A O   1 ? 
ATOM   406  C CB  . THR A 1 54  ? -4.729  -16.301 -13.365 1.000 16.669 0 54  THR A CB  1 ? 
ATOM   407  O OG1 . THR A 1 54  ? -5.506  -16.082 -12.179 1.000 18.944 0 54  THR A OG1 1 ? 
ATOM   408  C CG2 . THR A 1 54  ? -3.609  -17.281 -13.075 1.000 18.796 0 54  THR A CG2 1 ? 
ATOM   409  N N   . ASP A 1 55  ? -5.820  -14.265 -15.460 1.000 16.995 0 55  ASP A N   1 ? 
ATOM   410  C CA  . ASP A 1 55  ? -7.026  -13.624 -15.976 1.000 18.058 0 55  ASP A CA  1 ? 
ATOM   411  C C   . ASP A 1 55  ? -6.908  -12.109 -15.846 1.000 19.114 0 55  ASP A C   1 ? 
ATOM   412  O O   . ASP A 1 55  ? -7.742  -11.452 -15.216 1.000 20.233 0 55  ASP A O   1 ? 
ATOM   413  C CB  . ASP A 1 55  ? -8.250  -14.241 -15.327 1.000 20.850 0 55  ASP A CB  1 ? 
ATOM   414  C CG  . ASP A 1 55  ? -8.493  -15.689 -15.706 1.000 25.399 0 55  ASP A CG  1 ? 
ATOM   415  O OD1 . ASP A 1 55  ? -8.549  -15.947 -16.915 0.520 26.546 0 55  ASP A OD1 1 ? 
ATOM   416  O OD2 . ASP A 1 55  ? -8.605  -16.502 -14.780 0.640 27.139 0 55  ASP A OD2 1 ? 
ATOM   417  N N   . CYS A 1 56  ? -5.887  -11.533 -16.498 1.000 17.372 0 56  CYS A N   1 ? 
ATOM   418  C CA  . CYS A 1 56  ? -5.635  -10.107 -16.468 1.000 18.267 0 56  CYS A CA  1 ? 
ATOM   419  C C   . CYS A 1 56  ? -6.109  -9.454  -17.766 1.000 19.389 0 56  CYS A C   1 ? 
ATOM   420  O O   . CYS A 1 56  ? -6.061  -10.040 -18.855 1.000 22.137 0 56  CYS A O   1 ? 
ATOM   421  C CB  . CYS A 1 56  ? -4.140  -9.766  -16.394 1.000 17.903 0 56  CYS A CB  1 ? 
ATOM   422  S SG  . CYS A 1 56  ? -3.283  -10.497 -14.970 1.000 17.704 0 56  CYS A SG  1 ? 
ATOM   423  N N   . TYR A 1 57  ? -6.501  -8.191  -17.622 1.000 20.539 0 57  TYR A N   1 ? 
ATOM   424  C CA  A TYR A 1 57  ? -6.805  -7.282  -18.721 0.590 22.438 0 57  TYR A CA  1 ? 
ATOM   425  C CA  B TYR A 1 57  ? -6.756  -7.314  -18.746 0.410 23.602 0 57  TYR A CA  1 ? 
ATOM   426  C C   . TYR A 1 57  ? -6.027  -6.012  -18.475 1.000 23.042 0 57  TYR A C   1 ? 
ATOM   427  O O   . TYR A 1 57  ? -6.227  -5.389  -17.435 1.000 25.693 0 57  TYR A O   1 ? 
ATOM   428  C CB  A TYR A 1 57  ? -8.305  -6.959  -18.772 0.590 22.436 0 57  TYR A CB  1 ? 
ATOM   429  C CB  B TYR A 1 57  ? -8.243  -7.034  -18.970 0.410 25.607 0 57  TYR A CB  1 ? 
ATOM   430  C CG  A TYR A 1 57  ? -9.059  -8.192  -19.211 0.590 22.983 0 57  TYR A CG  1 ? 
ATOM   431  C CG  B TYR A 1 57  ? -8.391  -5.731  -19.739 0.410 28.066 0 57  TYR A CG  1 ? 
ATOM   432  C CD1 A TYR A 1 57  ? -9.098  -8.556  -20.553 0.590 27.664 0 57  TYR A CD1 1 ? 
ATOM   433  C CD1 B TYR A 1 57  ? -8.134  -5.673  -21.103 0.410 31.156 0 57  TYR A CD1 1 ? 
ATOM   434  C CD2 A TYR A 1 57  ? -9.559  -9.097  -18.286 0.590 22.598 0 57  TYR A CD2 1 ? 
ATOM   435  C CD2 B TYR A 1 57  ? -8.711  -4.552  -19.084 0.410 30.578 0 57  TYR A CD2 1 ? 
ATOM   436  C CE1 A TYR A 1 57  ? -9.708  -9.736  -20.951 0.590 27.481 0 57  TYR A CE1 1 ? 
ATOM   437  C CE1 B TYR A 1 57  ? -8.237  -4.486  -21.805 0.410 29.567 0 57  TYR A CE1 1 ? 
ATOM   438  C CE2 A TYR A 1 57  ? -10.184 -10.271 -18.675 0.590 26.468 0 57  TYR A CE2 1 ? 
ATOM   439  C CE2 B TYR A 1 57  ? -8.797  -3.355  -19.768 0.410 31.352 0 57  TYR A CE2 1 ? 
ATOM   440  C CZ  A TYR A 1 57  ? -10.253 -10.590 -20.019 0.590 26.911 0 57  TYR A CZ  1 ? 
ATOM   441  C CZ  B TYR A 1 57  ? -8.574  -3.326  -21.130 0.410 30.995 0 57  TYR A CZ  1 ? 
ATOM   442  O OH  A TYR A 1 57  ? -10.818 -11.765 -20.395 0.590 31.503 0 57  TYR A OH  1 ? 
ATOM   443  O OH  B TYR A 1 57  ? -8.694  -2.151  -21.807 0.410 38.236 0 57  TYR A OH  1 ? 
ATOM   444  N N   . PHE A 1 58  ? -5.210  -5.601  -19.442 1.000 24.445 0 58  PHE A N   1 ? 
ATOM   445  C CA  . PHE A 1 58  ? -4.497  -4.363  -19.340 1.000 26.383 0 58  PHE A CA  1 ? 
ATOM   446  C C   . PHE A 1 58  ? -4.729  -3.566  -20.615 1.000 31.273 0 58  PHE A C   1 ? 
ATOM   447  O O   . PHE A 1 58  ? -4.857  -4.165  -21.682 1.000 33.956 0 58  PHE A O   1 ? 
ATOM   448  C CB  . PHE A 1 58  ? -3.010  -4.623  -19.177 1.000 24.692 0 58  PHE A CB  1 ? 
ATOM   449  C CG  . PHE A 1 58  ? -2.664  -5.289  -17.859 1.000 22.865 0 58  PHE A CG  1 ? 
ATOM   450  C CD1 . PHE A 1 58  ? -2.741  -4.576  -16.674 1.000 23.669 0 58  PHE A CD1 1 ? 
ATOM   451  C CD2 . PHE A 1 58  ? -2.282  -6.619  -17.805 1.000 22.726 0 58  PHE A CD2 1 ? 
ATOM   452  C CE1 . PHE A 1 58  ? -2.447  -5.174  -15.474 1.000 22.819 0 58  PHE A CE1 1 ? 
ATOM   453  C CE2 . PHE A 1 58  ? -1.891  -7.169  -16.607 1.000 22.615 0 58  PHE A CE2 1 ? 
ATOM   454  C CZ  . PHE A 1 58  ? -2.026  -6.471  -15.447 1.000 21.914 0 58  PHE A CZ  1 ? 
ATOM   455  N N   . ASP A 1 59  ? -4.818  -2.250  -20.434 1.000 33.006 0 59  ASP A N   1 ? 
ATOM   456  C CA  . ASP A 1 59  ? -4.924  -1.324  -21.548 1.000 35.820 0 59  ASP A CA  1 ? 
ATOM   457  C C   . ASP A 1 59  ? -3.527  -0.973  -22.046 1.000 36.440 0 59  ASP A C   1 ? 
ATOM   458  O O   . ASP A 1 59  ? -2.522  -1.561  -21.637 1.000 37.635 0 59  ASP A O   1 ? 
ATOM   459  C CB  . ASP A 1 59  ? -5.738  -0.113  -21.132 1.000 33.767 0 59  ASP A CB  1 ? 
ATOM   460  C CG  . ASP A 1 59  ? -5.065  0.837   -20.172 1.000 36.381 0 59  ASP A CG  1 ? 
ATOM   461  O OD1 . ASP A 1 59  ? -3.834  0.707   -19.938 1.000 36.732 0 59  ASP A OD1 1 ? 
ATOM   462  O OD2 . ASP A 1 59  ? -5.781  1.697   -19.638 1.000 49.374 0 59  ASP A OD2 1 ? 
ATOM   463  N N   . ASP A 1 60  ? -3.465  0.018   -22.952 1.000 46.155 0 60  ASP A N   1 ? 
ATOM   464  C CA  . ASP A 1 60  ? -2.206  0.451   -23.535 1.000 48.930 0 60  ASP A CA  1 ? 
ATOM   465  C C   . ASP A 1 60  ? -1.234  1.018   -22.503 1.000 43.763 0 60  ASP A C   1 ? 
ATOM   466  O O   . ASP A 1 60  ? -0.027  0.850   -22.670 1.000 52.112 0 60  ASP A O   1 ? 
ATOM   467  C CB  . ASP A 1 60  ? -2.435  1.446   -24.666 1.000 53.089 0 60  ASP A CB  1 ? 
ATOM   468  C CG  . ASP A 1 60  ? -2.480  0.803   -26.040 0.650 53.992 0 60  ASP A CG  1 ? 
ATOM   469  O OD1 . ASP A 1 60  ? -3.147  -0.245  -26.164 1.000 54.227 0 60  ASP A OD1 1 ? 
ATOM   470  O OD2 . ASP A 1 60  ? -1.827  1.350   -26.958 0.550 56.999 0 60  ASP A OD2 1 ? 
ATOM   471  N N   . SER A 1 61  ? -1.739  1.696   -21.461 1.000 44.575 0 61  SER A N   1 ? 
ATOM   472  C CA  . SER A 1 61  ? -0.876  2.334   -20.470 1.000 43.042 0 61  SER A CA  1 ? 
ATOM   473  C C   . SER A 1 61  ? -0.331  1.345   -19.424 1.000 42.319 0 61  SER A C   1 ? 
ATOM   474  O O   . SER A 1 61  ? 0.410   1.763   -18.539 1.000 39.415 0 61  SER A O   1 ? 
ATOM   475  C CB  . SER A 1 61  ? -1.582  3.494   -19.789 1.000 49.852 0 61  SER A CB  1 ? 
ATOM   476  O OG  . SER A 1 61  ? -2.608  3.069   -18.888 1.000 53.544 0 61  SER A OG  1 ? 
ATOM   477  N N   . GLY A 1 62  ? -0.731  0.064   -19.481 1.000 37.549 0 62  GLY A N   1 ? 
ATOM   478  C CA  . GLY A 1 62  ? -0.292  -0.925  -18.499 1.000 34.514 0 62  GLY A CA  1 ? 
ATOM   479  C C   . GLY A 1 62  ? -1.167  -0.942  -17.240 1.000 30.925 0 62  GLY A C   1 ? 
ATOM   480  O O   . GLY A 1 62  ? -0.693  -1.283  -16.164 1.000 26.916 0 62  GLY A O   1 ? 
ATOM   481  N N   . SER A 1 63  ? -2.398  -0.439  -17.369 1.000 28.956 0 63  SER A N   1 ? 
ATOM   482  C CA  A SER A 1 63  ? -3.363  -0.359  -16.284 0.590 28.322 0 63  SER A CA  1 ? 
ATOM   483  C CA  B SER A 1 63  ? -3.367  -0.346  -16.288 0.410 27.660 0 63  SER A CA  1 ? 
ATOM   484  C C   . SER A 1 63  ? -4.516  -1.317  -16.547 1.000 26.580 0 63  SER A C   1 ? 
ATOM   485  O O   . SER A 1 63  ? -4.976  -1.487  -17.673 1.000 28.297 0 63  SER A O   1 ? 
ATOM   486  C CB  A SER A 1 63  ? -3.867  1.052   -16.124 0.590 31.189 0 63  SER A CB  1 ? 
ATOM   487  C CB  B SER A 1 63  ? -3.885  1.072   -16.152 0.410 28.699 0 63  SER A CB  1 ? 
ATOM   488  O OG  A SER A 1 63  ? -2.905  1.818   -15.421 0.590 35.270 0 63  SER A OG  1 ? 
ATOM   489  O OG  B SER A 1 63  ? -4.845  1.160   -15.106 0.410 30.238 0 63  SER A OG  1 ? 
ATOM   490  N N   . GLY A 1 64  ? -4.975  -1.992  -15.485 1.000 25.533 0 64  GLY A N   1 ? 
ATOM   491  C CA  . GLY A 1 64  ? -6.009  -2.961  -15.663 1.000 24.737 0 64  GLY A CA  1 ? 
ATOM   492  C C   . GLY A 1 64  ? -6.327  -3.703  -14.364 1.000 20.597 0 64  GLY A C   1 ? 
ATOM   493  O O   . GLY A 1 64  ? -6.357  -3.128  -13.293 1.000 20.933 0 64  GLY A O   1 ? 
ATOM   494  N N   . ILE A 1 65  ? -6.630  -4.988  -14.499 1.000 19.239 0 65  ILE A N   1 ? 
ATOM   495  C CA  . ILE A 1 65  ? -7.061  -5.794  -13.381 1.000 17.622 0 65  ILE A CA  1 ? 
ATOM   496  C C   . ILE A 1 65  ? -6.688  -7.245  -13.680 1.000 18.267 0 65  ILE A C   1 ? 
ATOM   497  O O   . ILE A 1 65  ? -6.746  -7.683  -14.814 1.000 20.640 0 65  ILE A O   1 ? 
ATOM   498  C CB  . ILE A 1 65  ? -8.579  -5.679  -13.160 1.000 19.459 0 65  ILE A CB  1 ? 
ATOM   499  C CG1 . ILE A 1 65  ? -9.039  -6.489  -11.945 1.000 24.090 0 65  ILE A CG1 1 ? 
ATOM   500  C CG2 . ILE A 1 65  ? -9.398  -6.123  -14.369 1.000 23.505 0 65  ILE A CG2 1 ? 
ATOM   501  C CD1 . ILE A 1 65  ? -9.105  -5.744  -10.639 1.000 34.281 0 65  ILE A CD1 1 ? 
ATOM   502  N N   . CYS A 1 66  ? -6.400  -8.011  -12.621 1.000 17.861 0 66  CYS A N   1 ? 
ATOM   503  C CA  . CYS A 1 66  ? -6.217  -9.454  -12.715 1.000 16.228 0 66  CYS A CA  1 ? 
ATOM   504  C C   . CYS A 1 66  ? -7.069  -10.110 -11.634 1.000 15.885 0 66  CYS A C   1 ? 
ATOM   505  O O   . CYS A 1 66  ? -7.296  -9.514  -10.580 1.000 17.540 0 66  CYS A O   1 ? 
ATOM   506  C CB  . CYS A 1 66  ? -4.779  -9.871  -12.415 1.000 16.648 0 66  CYS A CB  1 ? 
ATOM   507  S SG  . CYS A 1 66  ? -3.555  -9.106  -13.493 0.920 16.428 0 66  CYS A SG  1 ? 
ATOM   508  N N   . LYS A 1 67  ? -7.488  -11.340 -11.875 1.000 16.857 0 67  LYS A N   1 ? 
ATOM   509  C CA  . LYS A 1 67  ? -8.328  -12.087 -10.933 1.000 17.100 0 67  LYS A CA  1 ? 
ATOM   510  C C   . LYS A 1 67  ? -7.565  -12.683 -9.766  1.000 19.284 0 67  LYS A C   1 ? 
ATOM   511  O O   . LYS A 1 67  ? -8.123  -12.886 -8.699  1.000 19.966 0 67  LYS A O   1 ? 
ATOM   512  C CB  . LYS A 1 67  ? -9.193  -13.152 -11.584 1.000 18.789 0 67  LYS A CB  1 ? 
ATOM   513  C CG  . LYS A 1 67  ? -10.202 -12.554 -12.501 1.000 21.827 0 67  LYS A CG  1 ? 
ATOM   514  C CD  . LYS A 1 67  ? -11.278 -13.547 -12.842 1.000 24.804 0 67  LYS A CD  1 ? 
ATOM   515  C CE  . LYS A 1 67  ? -12.245 -12.891 -13.785 1.000 28.204 0 67  LYS A CE  1 ? 
ATOM   516  N NZ  . LYS A 1 67  ? -13.214 -13.921 -14.140 1.000 34.748 0 67  LYS A NZ  1 ? 
ATOM   517  N N   . THR A 1 68  ? -6.260  -13.018 -9.933  1.000 15.654 0 68  THR A N   1 ? 
ATOM   518  C CA  . THR A 1 68  ? -5.405  -13.368 -8.827  1.000 16.456 0 68  THR A CA  1 ? 
ATOM   519  C C   . THR A 1 68  ? -4.138  -12.525 -8.919  1.000 16.255 0 68  THR A C   1 ? 
ATOM   520  O O   . THR A 1 68  ? -3.644  -12.274 -10.003 1.000 16.598 0 68  THR A O   1 ? 
ATOM   521  C CB  . THR A 1 68  ? -5.071  -14.861 -8.764  1.000 17.110 0 68  THR A CB  1 ? 
ATOM   522  O OG1 . THR A 1 68  ? -4.292  -15.272 -9.893  1.000 15.283 0 68  THR A OG1 1 ? 
ATOM   523  C CG2 . THR A 1 68  ? -6.284  -15.794 -8.697  1.000 17.308 0 68  THR A CG2 1 ? 
ATOM   524  N N   . GLY A 1 69  ? -3.601  -12.162 -7.761  1.000 15.512 0 69  GLY A N   1 ? 
ATOM   525  C CA  . GLY A 1 69  ? -2.320  -11.513 -7.646  1.000 15.148 0 69  GLY A CA  1 ? 
ATOM   526  C C   . GLY A 1 69  ? -2.238  -10.102 -8.175  1.000 14.963 0 69  GLY A C   1 ? 
ATOM   527  O O   . GLY A 1 69  ? -1.121  -9.624  -8.360  1.000 15.734 0 69  GLY A O   1 ? 
ATOM   528  N N   . ASP A 1 70  ? -3.357  -9.393  -8.346  1.000 15.637 0 70  ASP A N   1 ? 
ATOM   529  C CA  . ASP A 1 70  ? -3.322  -8.030  -8.845  1.000 16.146 0 70  ASP A CA  1 ? 
ATOM   530  C C   . ASP A 1 70  ? -2.484  -7.159  -7.917  1.000 17.800 0 70  ASP A C   1 ? 
ATOM   531  O O   . ASP A 1 70  ? -2.628  -7.234  -6.709  1.000 17.453 0 70  ASP A O   1 ? 
ATOM   532  C CB  . ASP A 1 70  ? -4.739  -7.517  -8.943  1.000 17.236 0 70  ASP A CB  1 ? 
ATOM   533  C CG  . ASP A 1 70  ? -4.845  -6.166  -9.614  1.000 21.474 0 70  ASP A CG  1 ? 
ATOM   534  O OD1 . ASP A 1 70  ? -4.590  -6.123  -10.798 1.000 24.417 0 70  ASP A OD1 1 ? 
ATOM   535  O OD2 . ASP A 1 70  ? -5.026  -5.176  -8.869  1.000 25.865 0 70  ASP A OD2 1 ? 
ATOM   536  N N   . CYS A 1 71  ? -1.640  -6.311  -8.503  1.000 17.032 0 71  CYS A N   1 ? 
ATOM   537  C CA  . CYS A 1 71  ? -0.766  -5.416  -7.740  1.000 18.668 0 71  CYS A CA  1 ? 
ATOM   538  C C   . CYS A 1 71  ? -1.139  -3.947  -7.976  1.000 20.242 0 71  CYS A C   1 ? 
ATOM   539  O O   . CYS A 1 71  ? -0.493  -3.255  -8.771  1.000 23.981 0 71  CYS A O   1 ? 
ATOM   540  C CB  . CYS A 1 71  ? 0.700   -5.645  -8.093  1.000 18.617 0 71  CYS A CB  1 ? 
ATOM   541  S SG  . CYS A 1 71  ? 1.083   -5.304  -9.823  1.000 19.925 0 71  CYS A SG  1 ? 
ATOM   542  N N   . GLY A 1 72  ? -2.310  -3.568  -7.485  1.000 19.897 0 72  GLY A N   1 ? 
ATOM   543  C CA  . GLY A 1 72  ? -2.853  -2.225  -7.670  1.000 23.825 0 72  GLY A CA  1 ? 
ATOM   544  C C   . GLY A 1 72  ? -3.143  -1.860  -9.116  1.000 24.221 0 72  GLY A C   1 ? 
ATOM   545  O O   . GLY A 1 72  ? -2.999  -0.705  -9.515  1.000 25.421 0 72  GLY A O   1 ? 
ATOM   546  N N   . GLY A 1 73  ? -3.538  -2.835  -9.939  1.000 20.626 0 73  GLY A N   1 ? 
ATOM   547  C CA  . GLY A 1 73  ? -4.008  -2.572  -11.279 1.000 21.814 0 73  GLY A CA  1 ? 
ATOM   548  C C   . GLY A 1 73  ? -2.901  -2.349  -12.299 1.000 22.434 0 73  GLY A C   1 ? 
ATOM   549  O O   . GLY A 1 73  ? -3.187  -1.947  -13.428 1.000 28.252 0 73  GLY A O   1 ? 
ATOM   550  N N   . LEU A 1 74  ? -1.652  -2.637  -11.950 1.000 20.993 0 74  LEU A N   1 ? 
ATOM   551  C CA  . LEU A 1 74  ? -0.531  -2.319  -12.839 1.000 21.544 0 74  LEU A CA  1 ? 
ATOM   552  C C   . LEU A 1 74  ? 0.029   -3.589  -13.486 1.000 21.760 0 74  LEU A C   1 ? 
ATOM   553  O O   . LEU A 1 74  ? 0.114   -4.642  -12.837 1.000 21.410 0 74  LEU A O   1 ? 
ATOM   554  C CB  . LEU A 1 74  ? 0.604   -1.633  -12.096 1.000 24.561 0 74  LEU A CB  1 ? 
ATOM   555  C CG  . LEU A 1 74  ? 0.243   -0.288  -11.465 1.000 30.264 0 74  LEU A CG  1 ? 
ATOM   556  C CD1 . LEU A 1 74  ? 1.497   0.345   -10.906 1.000 32.763 0 74  LEU A CD1 1 ? 
ATOM   557  C CD2 . LEU A 1 74  ? -0.487  0.589   -12.435 1.000 30.869 0 74  LEU A CD2 1 ? 
ATOM   558  N N   . LEU A 1 75  ? 0.397   -3.505  -14.749 1.000 20.838 0 75  LEU A N   1 ? 
ATOM   559  C CA  . LEU A 1 75  ? 1.145   -4.575  -15.412 1.000 21.130 0 75  LEU A CA  1 ? 
ATOM   560  C C   . LEU A 1 75  ? 2.503   -4.712  -14.743 1.000 21.306 0 75  LEU A C   1 ? 
ATOM   561  O O   . LEU A 1 75  ? 2.944   -5.806  -14.382 1.000 22.507 0 75  LEU A O   1 ? 
ATOM   562  C CB  . LEU A 1 75  ? 1.295   -4.300  -16.908 1.000 23.132 0 75  LEU A CB  1 ? 
ATOM   563  C CG  . LEU A 1 75  ? 2.217   -5.236  -17.696 1.000 26.908 0 75  LEU A CG  1 ? 
ATOM   564  C CD1 . LEU A 1 75  ? 1.729   -6.687  -17.651 1.000 28.307 0 75  LEU A CD1 1 ? 
ATOM   565  C CD2 . LEU A 1 75  ? 2.275   -4.740  -19.125 1.000 29.771 0 75  LEU A CD2 1 ? 
ATOM   566  N N   . ARG A 1 76  ? 3.163   -3.587  -14.528 1.000 22.168 0 76  ARG A N   1 ? 
ATOM   567  C CA  . ARG A 1 76  ? 4.502   -3.576  -13.982 1.000 22.268 0 76  ARG A CA  1 ? 
ATOM   568  C C   . ARG A 1 76  ? 4.375   -3.356  -12.496 1.000 24.480 0 76  ARG A C   1 ? 
ATOM   569  O O   . ARG A 1 76  ? 4.275   -2.226  -12.033 1.000 25.981 0 76  ARG A O   1 ? 
ATOM   570  C CB  . ARG A 1 76  ? 5.369   -2.496  -14.688 1.000 23.003 0 76  ARG A CB  1 ? 
ATOM   571  C CG  . ARG A 1 76  ? 5.703   -2.816  -16.137 1.000 27.902 0 76  ARG A CG  1 ? 
ATOM   572  C CD  . ARG A 1 76  ? 6.177   -1.586  -16.954 1.000 35.303 0 76  ARG A CD  1 ? 
ATOM   573  N NE  . ARG A 1 76  ? 6.970   -1.865  -18.157 0.410 44.409 0 76  ARG A NE  1 ? 
ATOM   574  C CZ  . ARG A 1 76  ? 6.572   -1.687  -19.417 0.480 55.436 0 76  ARG A CZ  1 ? 
ATOM   575  N NH1 . ARG A 1 76  ? 5.287   -1.596  -19.717 0.630 57.410 0 76  ARG A NH1 1 ? 
ATOM   576  N NH2 . ARG A 1 76  ? 7.464   -1.669  -20.395 0.800 59.992 0 76  ARG A NH2 1 ? 
ATOM   577  N N   . CYS A 1 77  ? 4.424   -4.424  -11.686 1.000 21.805 0 77  CYS A N   1 ? 
ATOM   578  C CA  . CYS A 1 77  ? 4.175   -4.299  -10.263 1.000 20.942 0 77  CYS A CA  1 ? 
ATOM   579  C C   . CYS A 1 77  ? 5.293   -3.577  -9.509  1.000 26.587 0 77  CYS A C   1 ? 
ATOM   580  O O   . CYS A 1 77  ? 6.468   -3.923  -9.695  1.000 26.525 0 77  CYS A O   1 ? 
ATOM   581  C CB  . CYS A 1 77  ? 4.032   -5.686  -9.637  1.000 21.387 0 77  CYS A CB  1 ? 
ATOM   582  S SG  . CYS A 1 77  ? 2.572   -6.576  -10.263 1.000 19.493 0 77  CYS A SG  1 ? 
ATOM   583  N N   . LYS A 1 78  ? 4.895   -2.647  -8.620  1.000 23.846 0 78  LYS A N   1 ? 
ATOM   584  C CA  . LYS A 1 78  ? 5.776   -2.006  -7.647  1.000 28.408 0 78  LYS A CA  1 ? 
ATOM   585  C C   . LYS A 1 78  ? 5.519   -2.573  -6.256  1.000 28.056 0 78  LYS A C   1 ? 
ATOM   586  O O   . LYS A 1 78  ? 6.390   -2.548  -5.380  1.000 35.635 0 78  LYS A O   1 ? 
ATOM   587  C CB  . LYS A 1 78  ? 5.603   -0.475  -7.735  1.000 36.029 0 78  LYS A CB  1 ? 
ATOM   588  C CG  . LYS A 1 78  ? 6.081   0.395   -6.568  0.470 44.178 0 78  LYS A CG  1 ? 
ATOM   589  C CD  . LYS A 1 78  ? 4.954   1.097   -5.810  0.430 51.786 0 78  LYS A CD  1 ? 
ATOM   590  C CE  . LYS A 1 78  ? 5.381   1.833   -4.564  0.730 58.494 0 78  LYS A CE  1 ? 
ATOM   591  N NZ  . LYS A 1 78  ? 5.232   1.008   -3.358  0.960 62.768 0 78  LYS A NZ  1 ? 
ATOM   592  N N   . ARG A 1 79  ? 4.321   -3.133  -6.038  1.000 24.041 0 79  ARG A N   1 ? 
ATOM   593  C CA  . ARG A 1 79  ? 3.971   -3.660  -4.741  1.000 24.074 0 79  ARG A CA  1 ? 
ATOM   594  C C   . ARG A 1 79  ? 3.550   -5.119  -4.875  1.000 22.148 0 79  ARG A C   1 ? 
ATOM   595  O O   . ARG A 1 79  ? 3.466   -5.625  -5.988  1.000 20.771 0 79  ARG A O   1 ? 
ATOM   596  C CB  . ARG A 1 79  ? 2.848   -2.838  -4.119  1.000 27.313 0 79  ARG A CB  1 ? 
ATOM   597  C CG  . ARG A 1 79  ? 1.550   -2.852  -4.899  1.000 34.299 0 79  ARG A CG  1 ? 
ATOM   598  C CD  . ARG A 1 79  ? 0.347   -2.300  -4.138  0.390 39.275 0 79  ARG A CD  1 ? 
ATOM   599  N NE  . ARG A 1 79  ? -0.762  -3.215  -4.425  0.470 43.118 0 79  ARG A NE  1 ? 
ATOM   600  C CZ  . ARG A 1 79  ? -1.049  -4.272  -3.676  0.250 42.454 0 79  ARG A CZ  1 ? 
ATOM   601  N NH1 . ARG A 1 79  ? -0.506  -4.383  -2.473  0.440 43.818 0 79  ARG A NH1 1 ? 
ATOM   602  N NH2 . ARG A 1 79  ? -1.877  -5.201  -4.132  1.000 45.471 0 79  ARG A NH2 1 ? 
ATOM   603  N N   . PHE A 1 80  ? 3.356   -5.779  -3.722  1.000 20.360 0 80  PHE A N   1 ? 
ATOM   604  C CA  . PHE A 1 80  ? 2.931   -7.171  -3.714  1.000 18.143 0 80  PHE A CA  1 ? 
ATOM   605  C C   . PHE A 1 80  ? 1.488   -7.288  -4.143  1.000 20.315 0 80  PHE A C   1 ? 
ATOM   606  O O   . PHE A 1 80  ? 0.714   -6.339  -4.125  1.000 22.786 0 80  PHE A O   1 ? 
ATOM   607  C CB  . PHE A 1 80  ? 3.143   -7.772  -2.337  1.000 18.580 0 80  PHE A CB  1 ? 
ATOM   608  C CG  . PHE A 1 80  ? 4.600   -7.866  -1.905  1.000 19.199 0 80  PHE A CG  1 ? 
ATOM   609  C CD1 . PHE A 1 80  ? 5.613   -8.253  -2.789  1.000 22.122 0 80  PHE A CD1 1 ? 
ATOM   610  C CD2 . PHE A 1 80  ? 4.937   -7.594  -0.592  1.000 22.690 0 80  PHE A CD2 1 ? 
ATOM   611  C CE1 . PHE A 1 80  ? 6.921   -8.358  -2.362  1.000 21.594 0 80  PHE A CE1 1 ? 
ATOM   612  C CE2 . PHE A 1 80  ? 6.258   -7.709  -0.178  1.000 22.324 0 80  PHE A CE2 1 ? 
ATOM   613  C CZ  . PHE A 1 80  ? 7.229   -8.076  -1.072  1.000 22.850 0 80  PHE A CZ  1 ? 
ATOM   614  N N   . GLY A 1 81  ? 1.154   -8.495  -4.555  1.000 19.218 0 81  GLY A N   1 ? 
ATOM   615  C CA  . GLY A 1 81  ? -0.122  -8.762  -5.167  1.000 17.348 0 81  GLY A CA  1 ? 
ATOM   616  C C   . GLY A 1 81  ? -1.171  -9.246  -4.161  1.000 16.145 0 81  GLY A C   1 ? 
ATOM   617  O O   . GLY A 1 81  ? -0.869  -9.774  -3.077  1.000 18.387 0 81  GLY A O   1 ? 
ATOM   618  N N   . ARG A 1 82  ? -2.418  -9.118  -4.609  1.000 16.904 0 82  ARG A N   1 ? 
ATOM   619  C CA  . ARG A 1 82  ? -3.571  -9.533  -3.815  1.000 16.975 0 82  ARG A CA  1 ? 
ATOM   620  C C   . ARG A 1 82  ? -3.641  -11.046 -3.793  1.000 15.570 0 82  ARG A C   1 ? 
ATOM   621  O O   . ARG A 1 82  ? -3.613  -11.697 -4.832  1.000 16.234 0 82  ARG A O   1 ? 
ATOM   622  C CB  . ARG A 1 82  ? -4.826  -8.948  -4.466  1.000 19.530 0 82  ARG A CB  1 ? 
ATOM   623  C CG  . ARG A 1 82  ? -6.078  -9.212  -3.648  1.000 26.300 0 82  ARG A CG  1 ? 
ATOM   624  C CD  . ARG A 1 82  ? -7.210  -8.354  -4.273  1.000 31.410 0 82  ARG A CD  1 ? 
ATOM   625  N NE  . ARG A 1 82  ? -8.376  -8.369  -3.390  0.700 34.452 0 82  ARG A NE  1 ? 
ATOM   626  C CZ  . ARG A 1 82  ? -9.459  -9.133  -3.547  1.000 30.817 0 82  ARG A CZ  1 ? 
ATOM   627  N NH1 . ARG A 1 82  ? -9.495  -10.009 -4.528  0.720 32.332 0 82  ARG A NH1 1 ? 
ATOM   628  N NH2 . ARG A 1 82  ? -10.404 -9.157  -2.637  0.430 28.549 0 82  ARG A NH2 1 ? 
ATOM   629  N N   . PRO A 1 83  ? -3.844  -11.681 -2.627  1.000 15.414 0 83  PRO A N   1 ? 
ATOM   630  C CA  . PRO A 1 83  ? -4.014  -13.116 -2.572  1.000 14.257 0 83  PRO A CA  1 ? 
ATOM   631  C C   . PRO A 1 83  ? -5.246  -13.532 -3.345  1.000 15.556 0 83  PRO A C   1 ? 
ATOM   632  O O   . PRO A 1 83  ? -6.209  -12.765 -3.485  1.000 17.079 0 83  PRO A O   1 ? 
ATOM   633  C CB  . PRO A 1 83  ? -4.204  -13.467 -1.080  1.000 16.327 0 83  PRO A CB  1 ? 
ATOM   634  C CG  . PRO A 1 83  ? -3.612  -12.282 -0.390  1.000 20.439 0 83  PRO A CG  1 ? 
ATOM   635  C CD  . PRO A 1 83  ? -3.832  -11.081 -1.288  1.000 18.850 0 83  PRO A CD  1 ? 
ATOM   636  N N   . PRO A 1 84  ? -5.334  -14.781 -3.805  1.000 15.207 0 84  PRO A N   1 ? 
ATOM   637  C CA  . PRO A 1 84  ? -4.369  -15.839 -3.547  1.000 13.965 0 84  PRO A CA  1 ? 
ATOM   638  C C   . PRO A 1 84  ? -3.199  -15.826 -4.523  1.000 14.333 0 84  PRO A C   1 ? 
ATOM   639  O O   . PRO A 1 84  ? -3.419  -15.692 -5.731  1.000 15.153 0 84  PRO A O   1 ? 
ATOM   640  C CB  . PRO A 1 84  ? -5.210  -17.087 -3.689  1.000 16.298 0 84  PRO A CB  1 ? 
ATOM   641  C CG  . PRO A 1 84  ? -6.254  -16.765 -4.723  1.000 19.033 0 84  PRO A CG  1 ? 
ATOM   642  C CD  . PRO A 1 84  ? -6.521  -15.292 -4.526  1.000 17.455 0 84  PRO A CD  1 ? 
ATOM   643  N N   . THR A 1 85  ? -1.982  -15.999 -4.002  1.000 13.488 0 85  THR A N   1 ? 
ATOM   644  C CA  . THR A 1 85  ? -0.764  -16.035 -4.810  1.000 13.074 0 85  THR A CA  1 ? 
ATOM   645  C C   . THR A 1 85  ? 0.214   -17.042 -4.235  1.000 12.915 0 85  THR A C   1 ? 
ATOM   646  O O   . THR A 1 85  ? 0.731   -16.801 -3.151  1.000 15.406 0 85  THR A O   1 ? 
ATOM   647  C CB  . THR A 1 85  ? -0.069  -14.675 -4.811  1.000 14.533 0 85  THR A CB  1 ? 
ATOM   648  O OG1 . THR A 1 85  ? 0.190   -14.271 -3.468  1.000 18.157 0 85  THR A OG1 1 ? 
ATOM   649  C CG2 . THR A 1 85  ? -0.816  -13.588 -5.553  1.000 15.854 0 85  THR A CG2 1 ? 
ATOM   650  N N   . THR A 1 86  ? 0.566   -18.054 -5.016  1.000 12.847 0 86  THR A N   1 ? 
ATOM   651  C CA  . THR A 1 86  ? 1.703   -18.894 -4.667  1.000 12.874 0 86  THR A CA  1 ? 
ATOM   652  C C   . THR A 1 86  ? 2.948   -17.996 -4.749  1.000 13.094 0 86  THR A C   1 ? 
ATOM   653  O O   . THR A 1 86  ? 3.054   -17.252 -5.720  1.000 14.482 0 86  THR A O   1 ? 
ATOM   654  C CB  . THR A 1 86  ? 1.869   -20.070 -5.628  1.000 14.032 0 86  THR A CB  1 ? 
ATOM   655  O OG1 . THR A 1 86  ? 0.567   -20.550 -5.942  1.000 14.249 0 86  THR A OG1 1 ? 
ATOM   656  C CG2 . THR A 1 86  ? 2.754   -21.157 -5.054  1.000 16.298 0 86  THR A CG2 1 ? 
ATOM   657  N N   . LEU A 1 87  ? 3.823   -18.002 -3.754  1.000 13.147 0 87  LEU A N   1 ? 
ATOM   658  C CA  . LEU A 1 87  ? 4.961   -17.080 -3.783  1.000 13.221 0 87  LEU A CA  1 ? 
ATOM   659  C C   . LEU A 1 87  ? 6.300   -17.792 -3.835  1.000 13.879 0 87  LEU A C   1 ? 
ATOM   660  O O   . LEU A 1 87  ? 6.586   -18.664 -2.988  1.000 15.683 0 87  LEU A O   1 ? 
ATOM   661  C CB  . LEU A 1 87  ? 4.910   -16.230 -2.502  1.000 13.948 0 87  LEU A CB  1 ? 
ATOM   662  C CG  . LEU A 1 87  ? 3.739   -15.259 -2.387  1.000 15.911 0 87  LEU A CG  1 ? 
ATOM   663  C CD1 . LEU A 1 87  ? 3.666   -14.680 -0.995  1.000 18.267 0 87  LEU A CD1 1 ? 
ATOM   664  C CD2 . LEU A 1 87  ? 3.792   -14.190 -3.423  1.000 17.448 0 87  LEU A CD2 1 ? 
ATOM   665  N N   . ALA A 1 88  ? 7.158   -17.305 -4.746  1.000 12.418 0 88  ALA A N   1 ? 
ATOM   666  C CA  . ALA A 1 88  ? 8.581   -17.609 -4.692  1.000 13.109 0 88  ALA A CA  1 ? 
ATOM   667  C C   . ALA A 1 88  ? 9.262   -16.442 -3.967  1.000 13.971 0 88  ALA A C   1 ? 
ATOM   668  O O   . ALA A 1 88  ? 9.055   -15.288 -4.334  1.000 17.822 0 88  ALA A O   1 ? 
ATOM   669  C CB  . ALA A 1 88  ? 9.115   -17.729 -6.082  1.000 14.239 0 88  ALA A CB  1 ? 
ATOM   670  N N   . GLU A 1 89  ? 9.947   -16.739 -2.867  1.000 13.828 0 89  GLU A N   1 ? 
ATOM   671  C CA  . GLU A 1 89  ? 10.501  -15.703 -2.003  1.000 13.364 0 89  GLU A CA  1 ? 
ATOM   672  C C   . GLU A 1 89  ? 12.007  -15.882 -1.867  1.000 14.033 0 89  GLU A C   1 ? 
ATOM   673  O O   . GLU A 1 89  ? 12.504  -17.000 -1.806  1.000 15.113 0 89  GLU A O   1 ? 
ATOM   674  C CB  . GLU A 1 89  ? 9.900   -15.822 -0.602  1.000 16.228 0 89  GLU A CB  1 ? 
ATOM   675  C CG  . GLU A 1 89  ? 8.367   -15.843 -0.582  1.000 15.893 0 89  GLU A CG  1 ? 
ATOM   676  C CD  . GLU A 1 89  ? 7.764   -15.871 0.816   1.000 16.316 0 89  GLU A CD  1 ? 
ATOM   677  O OE1 . GLU A 1 89  ? 8.151   -16.758 1.608   1.000 18.275 0 89  GLU A OE1 1 ? 
ATOM   678  O OE2 . GLU A 1 89  ? 6.932   -14.971 1.059   1.000 20.485 0 89  GLU A OE2 1 ? 
ATOM   679  N N   . PHE A 1 90  ? 12.688  -14.725 -1.864  1.000 15.606 0 90  PHE A N   1 ? 
ATOM   680  C CA  . PHE A 1 90  ? 14.136  -14.786 -1.836  1.000 16.357 0 90  PHE A CA  1 ? 
ATOM   681  C C   . PHE A 1 90  ? 14.727  -13.581 -1.155  1.000 15.030 0 90  PHE A C   1 ? 
ATOM   682  O O   . PHE A 1 90  ? 14.246  -12.458 -1.264  1.000 18.058 0 90  PHE A O   1 ? 
ATOM   683  C CB  . PHE A 1 90  ? 14.710  -14.997 -3.239  1.000 15.817 0 90  PHE A CB  1 ? 
ATOM   684  C CG  . PHE A 1 90  ? 14.181  -14.049 -4.261  1.000 15.639 0 90  PHE A CG  1 ? 
ATOM   685  C CD1 . PHE A 1 90  ? 13.002  -14.368 -4.910  1.000 18.237 0 90  PHE A CD1 1 ? 
ATOM   686  C CD2 . PHE A 1 90  ? 14.713  -12.804 -4.502  1.000 20.121 0 90  PHE A CD2 1 ? 
ATOM   687  C CE1 . PHE A 1 90  ? 12.423  -13.487 -5.807  1.000 20.485 0 90  PHE A CE1 1 ? 
ATOM   688  C CE2 . PHE A 1 90  ? 14.164  -11.969 -5.442  1.000 21.352 0 90  PHE A CE2 1 ? 
ATOM   689  C CZ  . PHE A 1 90  ? 13.001  -12.287 -6.060  1.000 21.187 0 90  PHE A CZ  1 ? 
ATOM   690  N N   . SER A 1 91  ? 15.873  -13.861 -0.495  1.000 17.163 0 91  SER A N   1 ? 
ATOM   691  C CA  . SER A 1 91  ? 16.751  -12.821 0.015   1.000 18.809 0 91  SER A CA  1 ? 
ATOM   692  C C   . SER A 1 91  ? 18.171  -13.161 -0.424  1.000 16.291 0 91  SER A C   1 ? 
ATOM   693  O O   . SER A 1 91  ? 18.559  -14.290 -0.214  1.000 20.320 0 91  SER A O   1 ? 
ATOM   694  C CB  . SER A 1 91  ? 16.627  -12.731 1.531   1.000 20.694 0 91  SER A CB  1 ? 
ATOM   695  O OG  . SER A 1 91  ? 15.358  -12.170 1.876   1.000 23.132 0 91  SER A OG  1 ? 
ATOM   696  N N   . LEU A 1 92  ? 18.842  -12.231 -1.108  1.000 17.956 0 92  LEU A N   1 ? 
ATOM   697  C CA  . LEU A 1 92  ? 20.103  -12.524 -1.782  1.000 17.875 0 92  LEU A CA  1 ? 
ATOM   698  C C   . LEU A 1 92  ? 21.273  -11.859 -1.032  1.000 18.208 0 92  LEU A C   1 ? 
ATOM   699  O O   . LEU A 1 92  ? 21.157  -10.756 -0.529  1.000 21.914 0 92  LEU A O   1 ? 
ATOM   700  C CB  . LEU A 1 92  ? 20.023  -12.053 -3.227  1.000 17.298 0 92  LEU A CB  1 ? 
ATOM   701  C CG  . LEU A 1 92  ? 18.804  -12.555 -4.031  1.000 19.464 0 92  LEU A CG  1 ? 
ATOM   702  C CD1 . LEU A 1 92  ? 18.945  -11.902 -5.392  1.000 23.089 0 92  LEU A CD1 1 ? 
ATOM   703  C CD2 . LEU A 1 92  ? 18.709  -14.030 -4.047  1.000 20.847 0 92  LEU A CD2 1 ? 
ATOM   704  N N   . ASN A 1 93  ? 22.374  -12.593 -0.992  1.000 20.334 0 93  ASN A N   1 ? 
ATOM   705  C CA  . ASN A 1 93  ? 23.665  -12.064 -0.493  1.000 19.850 0 93  ASN A CA  1 ? 
ATOM   706  C C   . ASN A 1 93  ? 23.526  -11.558 0.941   1.000 22.357 0 93  ASN A C   1 ? 
ATOM   707  O O   . ASN A 1 93  ? 23.873  -10.415 1.275   1.000 24.216 0 93  ASN A O   1 ? 
ATOM   708  C CB  . ASN A 1 93  ? 24.193  -10.948 -1.393  1.000 21.070 0 93  ASN A CB  1 ? 
ATOM   709  C CG  . ASN A 1 93  ? 24.263  -11.362 -2.843  1.000 23.240 0 93  ASN A CG  1 ? 
ATOM   710  O OD1 . ASN A 1 93  ? 23.388  -10.957 -3.616  1.000 22.509 0 93  ASN A OD1 1 ? 
ATOM   711  N ND2 . ASN A 1 93  ? 25.248  -12.153 -3.228  1.000 25.434 0 93  ASN A ND2 1 ? 
ATOM   712  N N   . GLN A 1 94  ? 22.971  -12.437 1.759   1.000 21.737 0 94  GLN A N   1 ? 
ATOM   713  C CA  . GLN A 1 94  ? 22.765  -12.133 3.164   1.000 23.117 0 94  GLN A CA  1 ? 
ATOM   714  C C   . GLN A 1 94  ? 23.863  -12.846 3.935   1.000 20.978 0 94  GLN A C   1 ? 
ATOM   715  O O   . GLN A 1 94  ? 23.830  -14.051 4.166   1.000 21.616 0 94  GLN A O   1 ? 
ATOM   716  C CB  . GLN A 1 94  ? 21.402  -12.620 3.650   1.000 22.568 0 94  GLN A CB  1 ? 
ATOM   717  C CG  . GLN A 1 94  ? 20.250  -11.999 2.874   1.000 28.796 0 94  GLN A CG  1 ? 
ATOM   718  C CD  . GLN A 1 94  ? 20.161  -10.503 3.039   1.000 31.173 0 94  GLN A CD  1 ? 
ATOM   719  O OE1 . GLN A 1 94  ? 20.081  -9.981  4.163   1.000 36.403 0 94  GLN A OE1 1 ? 
ATOM   720  N NE2 . GLN A 1 94  ? 20.163  -9.769  1.934   1.000 32.610 0 94  GLN A NE2 1 ? 
ATOM   721  N N   . TYR A 1 95  ? 24.921  -12.063 4.264   1.000 23.780 0 95  TYR A N   1 ? 
ATOM   722  C CA  . TYR A 1 95  ? 26.095  -12.647 4.918   1.000 25.805 0 95  TYR A CA  1 ? 
ATOM   723  C C   . TYR A 1 95  ? 26.640  -13.866 4.188   1.000 24.211 0 95  TYR A C   1 ? 
ATOM   724  O O   . TYR A 1 95  ? 26.938  -14.911 4.768   1.000 27.887 0 95  TYR A O   1 ? 
ATOM   725  C CB  . TYR A 1 95  ? 25.839  -12.965 6.397   1.000 25.989 0 95  TYR A CB  1 ? 
ATOM   726  C CG  . TYR A 1 95  ? 25.380  -11.751 7.168   1.000 31.539 0 95  TYR A CG  1 ? 
ATOM   727  C CD1 . TYR A 1 95  ? 26.285  -10.805 7.656   1.000 35.810 0 95  TYR A CD1 1 ? 
ATOM   728  C CD2 . TYR A 1 95  ? 24.029  -11.557 7.426   1.000 38.912 0 95  TYR A CD2 1 ? 
ATOM   729  C CE1 . TYR A 1 95  ? 25.850  -9.694  8.366   1.000 44.170 0 95  TYR A CE1 1 ? 
ATOM   730  C CE2 . TYR A 1 95  ? 23.580  -10.449 8.124   1.000 41.896 0 95  TYR A CE2 1 ? 
ATOM   731  C CZ  . TYR A 1 95  ? 24.494  -9.527  8.609   1.000 50.061 0 95  TYR A CZ  1 ? 
ATOM   732  O OH  . TYR A 1 95  ? 24.018  -8.465  9.319   1.000 47.073 0 95  TYR A OH  1 ? 
ATOM   733  N N   . GLY A 1 96  ? 26.782  -13.738 2.853   1.000 23.730 0 96  GLY A N   1 ? 
ATOM   734  C CA  . GLY A 1 96  ? 27.423  -14.745 2.031   1.000 26.128 0 96  GLY A CA  1 ? 
ATOM   735  C C   . GLY A 1 96  ? 26.477  -15.810 1.473   1.000 27.159 0 96  GLY A C   1 ? 
ATOM   736  O O   . GLY A 1 96  ? 26.904  -16.704 0.761   1.000 24.924 0 96  GLY A O   1 ? 
ATOM   737  N N   . LYS A 1 97  ? 25.175  -15.716 1.799   1.000 24.220 0 97  LYS A N   1 ? 
ATOM   738  C CA  . LYS A 1 97  ? 24.264  -16.810 1.482   1.000 25.051 0 97  LYS A CA  1 ? 
ATOM   739  C C   . LYS A 1 97  ? 23.010  -16.228 0.835   1.000 21.010 0 97  LYS A C   1 ? 
ATOM   740  O O   . LYS A 1 97  ? 22.614  -15.101 1.073   1.000 21.415 0 97  LYS A O   1 ? 
ATOM   741  C CB  . LYS A 1 97  ? 23.873  -17.600 2.729   1.000 32.350 0 97  LYS A CB  1 ? 
ATOM   742  C CG  . LYS A 1 97  ? 24.987  -18.430 3.381   1.000 35.049 0 97  LYS A CG  1 ? 
ATOM   743  C CD  . LYS A 1 97  ? 25.526  -19.515 2.467   1.000 41.178 0 97  LYS A CD  1 ? 
ATOM   744  C CE  . LYS A 1 97  ? 26.508  -20.433 3.139   1.000 50.163 0 97  LYS A CE  1 ? 
ATOM   745  N NZ  . LYS A 1 97  ? 27.164  -21.243 2.102   1.000 55.659 0 97  LYS A NZ  1 ? 
ATOM   746  N N   . ASP A 1 98  ? 22.400  -17.036 -0.036  1.000 21.526 0 98  ASP A N   1 ? 
ATOM   747  C CA  . ASP A 1 98  ? 21.064  -16.702 -0.529  1.000 19.371 0 98  ASP A CA  1 ? 
ATOM   748  C C   . ASP A 1 98  ? 20.037  -17.618 0.140   1.000 18.330 0 98  ASP A C   1 ? 
ATOM   749  O O   . ASP A 1 98  ? 20.328  -18.764 0.455   1.000 20.207 0 98  ASP A O   1 ? 
ATOM   750  C CB  . ASP A 1 98  ? 20.981  -16.978 -2.030  1.000 19.299 0 98  ASP A CB  1 ? 
ATOM   751  C CG  . ASP A 1 98  ? 21.740  -16.094 -2.993  1.000 22.677 0 98  ASP A CG  1 ? 
ATOM   752  O OD1 . ASP A 1 98  ? 22.333  -15.051 -2.589  1.000 20.180 0 98  ASP A OD1 1 ? 
ATOM   753  O OD2 . ASP A 1 98  ? 21.641  -16.401 -4.205  1.000 20.790 0 98  ASP A OD2 1 ? 
ATOM   754  N N   . TYR A 1 99  ? 18.813  -17.102 0.349   1.000 18.127 0 99  TYR A N   1 ? 
ATOM   755  C CA  . TYR A 1 99  ? 17.770  -17.883 0.985   1.000 20.495 0 99  TYR A CA  1 ? 
ATOM   756  C C   . TYR A 1 99  ? 16.526  -17.880 0.090   1.000 18.277 0 99  TYR A C   1 ? 
ATOM   757  O O   . TYR A 1 99  ? 16.067  -16.802 -0.266  1.000 20.574 0 99  TYR A O   1 ? 
ATOM   758  C CB  . TYR A 1 99  ? 17.410  -17.298 2.337   1.000 21.144 0 99  TYR A CB  1 ? 
ATOM   759  C CG  . TYR A 1 99  ? 18.529  -17.373 3.344   1.000 22.662 0 99  TYR A CG  1 ? 
ATOM   760  C CD1 . TYR A 1 99  ? 18.826  -18.577 3.951   1.000 21.947 0 99  TYR A CD1 1 ? 
ATOM   761  C CD2 . TYR A 1 99  ? 19.399  -16.309 3.512   1.000 27.814 0 99  TYR A CD2 1 ? 
ATOM   762  C CE1 . TYR A 1 99  ? 19.900  -18.708 4.824   1.000 28.321 0 99  TYR A CE1 1 ? 
ATOM   763  C CE2 . TYR A 1 99  ? 20.463  -16.418 4.397   1.000 29.873 0 99  TYR A CE2 1 ? 
ATOM   764  C CZ  . TYR A 1 99  ? 20.721  -17.623 5.025   1.000 27.608 0 99  TYR A CZ  1 ? 
ATOM   765  O OH  . TYR A 1 99  ? 21.783  -17.716 5.898   1.000 32.318 0 99  TYR A OH  1 ? 
ATOM   766  N N   . ILE A 1 100 ? 16.071  -19.067 -0.251  1.000 16.899 0 100 ILE A N   1 ? 
ATOM   767  C CA  . ILE A 1 100 ? 14.877  -19.184 -1.122  1.000 17.513 0 100 ILE A CA  1 ? 
ATOM   768  C C   . ILE A 1 100 ? 13.822  -20.071 -0.464  1.000 17.693 0 100 ILE A C   1 ? 
ATOM   769  O O   . ILE A 1 100 ? 14.093  -21.006 0.296   1.000 17.546 0 100 ILE A O   1 ? 
ATOM   770  C CB  . ILE A 1 100 ? 15.222  -19.700 -2.521  1.000 17.917 0 100 ILE A CB  1 ? 
ATOM   771  C CG1 . ILE A 1 100 ? 15.612  -21.158 -2.504  1.000 19.312 0 100 ILE A CG1 1 ? 
ATOM   772  C CG2 . ILE A 1 100 ? 16.306  -18.808 -3.108  1.000 19.766 0 100 ILE A CG2 1 ? 
ATOM   773  C CD1 . ILE A 1 100 ? 15.777  -21.767 -3.886  1.000 22.115 0 100 ILE A CD1 1 ? 
ATOM   774  N N   . ASP A 1 101 ? 12.554  -19.795 -0.778  1.000 15.746 0 101 ASP A N   1 ? 
ATOM   775  C CA  . ASP A 1 101 ? 11.468  -20.647 -0.324  1.000 16.212 0 101 ASP A CA  1 ? 
ATOM   776  C C   . ASP A 1 101 ? 10.279  -20.422 -1.240  1.000 14.508 0 101 ASP A C   1 ? 
ATOM   777  O O   . ASP A 1 101 ? 10.235  -19.468 -2.001  1.000 14.840 0 101 ASP A O   1 ? 
ATOM   778  C CB  . ASP A 1 101 ? 11.072  -20.388 1.130   1.000 16.181 0 101 ASP A CB  1 ? 
ATOM   779  C CG  . ASP A 1 101 ? 10.484  -19.021 1.370   1.000 17.892 0 101 ASP A CG  1 ? 
ATOM   780  O OD1 . ASP A 1 101 ? 9.293   -18.802 1.070   1.000 16.749 0 101 ASP A OD1 1 ? 
ATOM   781  O OD2 . ASP A 1 101 ? 11.192  -18.123 1.773   1.000 20.161 0 101 ASP A OD2 1 ? 
ATOM   782  N N   . ILE A 1 102 ? 9.355   -21.370 -1.151  1.000 14.741 0 102 ILE A N   1 ? 
ATOM   783  C CA  . ILE A 1 102 ? 8.004   -21.180 -1.654  1.000 14.143 0 102 ILE A CA  1 ? 
ATOM   784  C C   . ILE A 1 102 ? 7.078   -21.102 -0.455  1.000 14.052 0 102 ILE A C   1 ? 
ATOM   785  O O   . ILE A 1 102 ? 7.235   -21.806 0.542   1.000 15.338 0 102 ILE A O   1 ? 
ATOM   786  C CB  . ILE A 1 102 ? 7.570   -22.285 -2.614  1.000 16.138 0 102 ILE A CB  1 ? 
ATOM   787  C CG1 . ILE A 1 102 ? 8.370   -22.200 -3.906  1.000 18.000 0 102 ILE A CG1 1 ? 
ATOM   788  C CG2 . ILE A 1 102 ? 6.067   -22.252 -2.933  1.000 18.535 0 102 ILE A CG2 1 ? 
ATOM   789  C CD1 . ILE A 1 102 ? 8.174   -23.387 -4.819  1.000 21.565 0 102 ILE A CD1 1 ? 
ATOM   790  N N   . SER A 1 103 ? 6.102   -20.207 -0.584  1.000 12.402 0 103 SER A N   1 ? 
ATOM   791  C CA  . SER A 1 103 ? 5.132   -19.971 0.482   1.000 13.447 0 103 SER A CA  1 ? 
ATOM   792  C C   . SER A 1 103 ? 3.718   -20.049 -0.048  1.000 13.213 0 103 SER A C   1 ? 
ATOM   793  O O   . SER A 1 103 ? 3.406   -19.485 -1.086  1.000 14.397 0 103 SER A O   1 ? 
ATOM   794  C CB  . SER A 1 103 ? 5.361   -18.658 1.083   1.000 14.942 0 103 SER A CB  1 ? 
ATOM   795  O OG  . SER A 1 103 ? 4.404   -18.290 2.074   1.000 16.785 0 103 SER A OG  1 ? 
ATOM   796  N N   . ASN A 1 104 ? 2.841   -20.680 0.751   1.000 14.361 0 104 ASN A N   1 ? 
ATOM   797  C CA  . ASN A 1 104 ? 1.403   -20.669 0.636   1.000 13.435 0 104 ASN A CA  1 ? 
ATOM   798  C C   . ASN A 1 104 ? 0.732   -19.828 1.731   1.000 13.114 0 104 ASN A C   1 ? 
ATOM   799  O O   . ASN A 1 104 ? -0.508  -19.896 1.914   1.000 14.868 0 104 ASN A O   1 ? 
ATOM   800  C CB  . ASN A 1 104 ? 0.821   -22.079 0.668   1.000 14.395 0 104 ASN A CB  1 ? 
ATOM   801  C CG  . ASN A 1 104 ? 1.133   -22.885 -0.569  1.000 17.280 0 104 ASN A CG  1 ? 
ATOM   802  O OD1 . ASN A 1 104 ? 1.144   -22.371 -1.682  1.000 17.847 0 104 ASN A OD1 1 ? 
ATOM   803  N ND2 . ASN A 1 104 ? 1.418   -24.148 -0.395  1.000 16.548 0 104 ASN A ND2 1 ? 
ATOM   804  N N   . ILE A 1 105 ? 1.489   -18.951 2.395   1.000 14.153 0 105 ILE A N   1 ? 
ATOM   805  C CA  . ILE A 1 105 ? 0.897   -18.147 3.480   1.000 13.555 0 105 ILE A CA  1 ? 
ATOM   806  C C   . ILE A 1 105 ? -0.121  -17.169 2.935   1.000 14.607 0 105 ILE A C   1 ? 
ATOM   807  O O   . ILE A 1 105 ? -1.019  -16.769 3.677   1.000 15.370 0 105 ILE A O   1 ? 
ATOM   808  C CB  . ILE A 1 105 ? 2.040   -17.486 4.262   1.000 15.576 0 105 ILE A CB  1 ? 
ATOM   809  C CG1 . ILE A 1 105 ? 2.835   -18.496 5.045   1.000 17.447 0 105 ILE A CG1 1 ? 
ATOM   810  C CG2 . ILE A 1 105 ? 1.562   -16.362 5.170   1.000 18.446 0 105 ILE A CG2 1 ? 
ATOM   811  C CD1 . ILE A 1 105 ? 4.132   -17.942 5.616   1.000 19.783 0 105 ILE A CD1 1 ? 
ATOM   812  N N   . LYS A 1 106 ? -0.011  -16.752 1.662   1.000 13.574 0 106 LYS A N   1 ? 
ATOM   813  C CA  . LYS A 1 106 ? -0.961  -15.877 0.992   1.000 13.818 0 106 LYS A CA  1 ? 
ATOM   814  C C   . LYS A 1 106 ? -1.740  -16.671 -0.049  1.000 13.783 0 106 LYS A C   1 ? 
ATOM   815  O O   . LYS A 1 106 ? -2.225  -16.068 -1.000  1.000 15.291 0 106 LYS A O   1 ? 
ATOM   816  C CB  . LYS A 1 106 ? -0.223  -14.687 0.368   1.000 16.538 0 106 LYS A CB  1 ? 
ATOM   817  C CG  . LYS A 1 106 ? 0.522   -13.849 1.367   1.000 20.608 0 106 LYS A CG  1 ? 
ATOM   818  C CD  . LYS A 1 106 ? -0.456  -12.928 2.050   1.000 28.575 0 106 LYS A CD  1 ? 
ATOM   819  C CE  . LYS A 1 106 ? 0.176   -11.837 2.879   1.000 34.930 0 106 LYS A CE  1 ? 
ATOM   820  N NZ  . LYS A 1 106 ? -0.869  -11.373 3.804   1.000 37.786 0 106 LYS A NZ  1 ? 
ATOM   821  N N   . GLY A 1 107 ? -1.899  -17.970 0.214   1.000 13.568 0 107 GLY A N   1 ? 
ATOM   822  C CA  . GLY A 1 107 ? -2.736  -18.791 -0.622  1.000 13.864 0 107 GLY A CA  1 ? 
ATOM   823  C C   . GLY A 1 107 ? -1.963  -19.350 -1.822  1.000 14.375 0 107 GLY A C   1 ? 
ATOM   824  O O   . GLY A 1 107 ? -0.751  -19.207 -1.909  1.000 16.785 0 107 GLY A O   1 ? 
ATOM   825  N N   . PHE A 1 108 ? -2.731  -19.912 -2.716  1.000 13.066 0 108 PHE A N   1 ? 
ATOM   826  C CA  . PHE A 1 108 ? -2.185  -20.618 -3.872  1.000 13.693 0 108 PHE A CA  1 ? 
ATOM   827  C C   . PHE A 1 108 ? -3.025  -20.315 -5.090  1.000 14.867 0 108 PHE A C   1 ? 
ATOM   828  O O   . PHE A 1 108 ? -4.232  -20.302 -5.042  1.000 14.247 0 108 PHE A O   1 ? 
ATOM   829  C CB  . PHE A 1 108 ? -2.204  -22.125 -3.619  1.000 14.702 0 108 PHE A CB  1 ? 
ATOM   830  C CG  . PHE A 1 108 ? -1.714  -22.999 -4.767  1.000 13.881 0 108 PHE A CG  1 ? 
ATOM   831  C CD1 . PHE A 1 108 ? -2.544  -23.261 -5.818  1.000 14.521 0 108 PHE A CD1 1 ? 
ATOM   832  C CD2 . PHE A 1 108 ? -0.451  -23.541 -4.753  1.000 14.280 0 108 PHE A CD2 1 ? 
ATOM   833  C CE1 . PHE A 1 108 ? -2.101  -24.098 -6.842  1.000 15.622 0 108 PHE A CE1 1 ? 
ATOM   834  C CE2 . PHE A 1 108 ? -0.012  -24.371 -5.749  1.000 16.182 0 108 PHE A CE2 1 ? 
ATOM   835  C CZ  . PHE A 1 108 ? -0.850  -24.653 -6.782  1.000 16.159 0 108 PHE A CZ  1 ? 
ATOM   836  N N   . ASN A 1 109 ? -2.372  -19.979 -6.207  1.000 14.049 0 109 ASN A N   1 ? 
ATOM   837  C CA  . ASN A 1 109 ? -3.078  -19.801 -7.453  1.000 13.551 0 109 ASN A CA  1 ? 
ATOM   838  C C   . ASN A 1 109 ? -2.538  -20.686 -8.569  1.000 14.808 0 109 ASN A C   1 ? 
ATOM   839  O O   . ASN A 1 109 ? -3.330  -21.304 -9.291  1.000 16.320 0 109 ASN A O   1 ? 
ATOM   840  C CB  . ASN A 1 109 ? -3.138  -18.353 -7.890  1.000 14.063 0 109 ASN A CB  1 ? 
ATOM   841  C CG  . ASN A 1 109 ? -1.812  -17.637 -8.119  1.000 13.733 0 109 ASN A CG  1 ? 
ATOM   842  O OD1 . ASN A 1 109 ? -0.759  -18.121 -7.703  1.000 14.000 0 109 ASN A OD1 1 ? 
ATOM   843  N ND2 . ASN A 1 109 ? -1.897  -16.582 -8.907  1.000 14.992 0 109 ASN A ND2 1 ? 
ATOM   844  N N   . VAL A 1 110 ? -1.211  -20.756 -8.712  1.000 14.383 0 110 VAL A N   1 ? 
ATOM   845  C CA  A VAL A 1 110 ? -0.576  -21.470 -9.806  0.800 15.107 0 110 VAL A CA  1 ? 
ATOM   846  C CA  B VAL A 1 110 ? -0.609  -21.495 -9.805  0.200 14.492 0 110 VAL A CA  1 ? 
ATOM   847  C C   . VAL A 1 110 ? 0.486   -22.366 -9.217  1.000 14.448 0 110 VAL A C   1 ? 
ATOM   848  O O   . VAL A 1 110 ? 1.256   -21.931 -8.315  1.000 15.779 0 110 VAL A O   1 ? 
ATOM   849  C CB  A VAL A 1 110 ? 0.032   -20.456 -10.793 0.800 17.648 0 110 VAL A CB  1 ? 
ATOM   850  C CB  B VAL A 1 110 ? -0.066  -20.562 -10.905 0.200 14.658 0 110 VAL A CB  1 ? 
ATOM   851  C CG1 A VAL A 1 110 ? 0.958   -21.052 -11.840 0.800 20.051 0 110 VAL A CG1 1 ? 
ATOM   852  C CG1 B VAL A 1 110 ? 1.175   -19.803 -10.466 0.200 14.034 0 110 VAL A CG1 1 ? 
ATOM   853  C CG2 A VAL A 1 110 ? -1.039  -19.613 -11.463 0.800 16.530 0 110 VAL A CG2 1 ? 
ATOM   854  C CG2 B VAL A 1 110 ? 0.263   -21.291 -12.192 0.200 15.303 0 110 VAL A CG2 1 ? 
ATOM   855  N N   . PRO A 1 111 ? 0.683   -23.591 -9.685  1.000 13.799 0 111 PRO A N   1 ? 
ATOM   856  C CA  . PRO A 1 111 ? 1.750   -24.437 -9.185  1.000 14.338 0 111 PRO A CA  1 ? 
ATOM   857  C C   . PRO A 1 111 ? 3.114   -23.923 -9.655  1.000 14.064 0 111 PRO A C   1 ? 
ATOM   858  O O   . PRO A 1 111 ? 3.196   -23.265 -10.699 1.000 14.374 0 111 PRO A O   1 ? 
ATOM   859  C CB  . PRO A 1 111 ? 1.467   -25.812 -9.777  1.000 16.104 0 111 PRO A CB  1 ? 
ATOM   860  C CG  . PRO A 1 111 ? 0.590   -25.510 -10.928 1.000 19.056 0 111 PRO A CG  1 ? 
ATOM   861  C CD  . PRO A 1 111 ? -0.157  -24.259 -10.705 1.000 16.451 0 111 PRO A CD  1 ? 
ATOM   862  N N   . MET A 1 112 ? 4.146   -24.184 -8.874  1.000 14.531 0 112 MET A N   1 ? 
ATOM   863  C CA  . MET A 1 112 ? 5.437   -23.530 -9.079  1.000 14.497 0 112 MET A CA  1 ? 
ATOM   864  C C   . MET A 1 112 ? 6.575   -24.438 -8.676  1.000 15.273 0 112 MET A C   1 ? 
ATOM   865  O O   . MET A 1 112 ? 6.498   -25.155 -7.695  1.000 16.209 0 112 MET A O   1 ? 
ATOM   866  C CB  . MET A 1 112 ? 5.485   -22.255 -8.201  1.000 20.540 0 112 MET A CB  1 ? 
ATOM   867  C CG  . MET A 1 112 ? 6.749   -21.440 -8.209  1.000 24.080 0 112 MET A CG  1 ? 
ATOM   868  S SD  . MET A 1 112 ? 6.507   -20.244 -6.876  1.000 22.749 0 112 MET A SD  1 ? 
ATOM   869  C CE  . MET A 1 112 ? 5.423   -19.088 -7.686  1.000 24.918 0 112 MET A CE  1 ? 
ATOM   870  N N   . ASP A 1 113 ? 7.683   -24.344 -9.404  1.000 15.559 0 113 ASP A N   1 ? 
ATOM   871  C CA  . ASP A 1 113 ? 8.976   -24.861 -9.037  1.000 16.200 0 113 ASP A CA  1 ? 
ATOM   872  C C   . ASP A 1 113 ? 9.937   -23.691 -8.952  1.000 15.063 0 113 ASP A C   1 ? 
ATOM   873  O O   . ASP A 1 113 ? 9.892   -22.799 -9.807  1.000 16.359 0 113 ASP A O   1 ? 
ATOM   874  C CB  . ASP A 1 113 ? 9.476   -25.854 -10.066 1.000 17.445 0 113 ASP A CB  1 ? 
ATOM   875  C CG  . ASP A 1 113 ? 10.825  -26.466 -9.730  1.000 20.827 0 113 ASP A CG  1 ? 
ATOM   876  O OD1 . ASP A 1 113 ? 10.848  -27.517 -9.099  1.000 21.565 0 113 ASP A OD1 1 ? 
ATOM   877  O OD2 . ASP A 1 113 ? 11.836  -25.805 -10.022 1.000 21.299 0 113 ASP A OD2 1 ? 
ATOM   878  N N   . PHE A 1 114 ? 10.767  -23.667 -7.921  1.000 15.753 0 114 PHE A N   1 ? 
ATOM   879  C CA  . PHE A 1 114 ? 11.757  -22.611 -7.764  1.000 14.881 0 114 PHE A CA  1 ? 
ATOM   880  C C   . PHE A 1 114 ? 13.107  -23.270 -7.486  1.000 18.371 0 114 PHE A C   1 ? 
ATOM   881  O O   . PHE A 1 114 ? 13.284  -23.862 -6.418  1.000 18.534 0 114 PHE A O   1 ? 
ATOM   882  C CB  . PHE A 1 114 ? 11.322  -21.750 -6.580  1.000 15.855 0 114 PHE A CB  1 ? 
ATOM   883  C CG  . PHE A 1 114 ? 12.165  -20.548 -6.261  1.000 15.925 0 114 PHE A CG  1 ? 
ATOM   884  C CD1 . PHE A 1 114 ? 13.137  -20.037 -7.133  1.000 17.748 0 114 PHE A CD1 1 ? 
ATOM   885  C CD2 . PHE A 1 114 ? 11.940  -19.854 -5.081  1.000 16.408 0 114 PHE A CD2 1 ? 
ATOM   886  C CE1 . PHE A 1 114 ? 13.815  -18.868 -6.833  1.000 18.807 0 114 PHE A CE1 1 ? 
ATOM   887  C CE2 . PHE A 1 114 ? 12.643  -18.703 -4.788  1.000 18.557 0 114 PHE A CE2 1 ? 
ATOM   888  C CZ  . PHE A 1 114 ? 13.553  -18.183 -5.659  1.000 18.298 0 114 PHE A CZ  1 ? 
ATOM   889  N N   . SER A 1 115 ? 14.001  -23.222 -8.477  1.000 15.994 0 115 SER A N   1 ? 
ATOM   890  C CA  . SER A 1 115 ? 15.217  -24.033 -8.455  1.000 17.659 0 115 SER A CA  1 ? 
ATOM   891  C C   . SER A 1 115 ? 16.397  -23.143 -8.827  1.000 17.793 0 115 SER A C   1 ? 
ATOM   892  O O   . SER A 1 115 ? 16.298  -22.237 -9.641  1.000 19.350 0 115 SER A O   1 ? 
ATOM   893  C CB  . SER A 1 115 ? 15.157  -25.234 -9.400  1.000 19.876 0 115 SER A CB  1 ? 
ATOM   894  O OG  . SER A 1 115 ? 14.240  -26.230 -8.978  1.000 22.355 0 115 SER A OG  1 ? 
ATOM   895  N N   . PRO A 1 116 ? 17.582  -23.400 -8.246  1.000 19.125 0 116 PRO A N   1 ? 
ATOM   896  C CA  . PRO A 1 116 ? 18.785  -22.755 -8.751  1.000 18.776 0 116 PRO A CA  1 ? 
ATOM   897  C C   . PRO A 1 116 ? 19.168  -23.340 -10.098 1.000 20.921 0 116 PRO A C   1 ? 
ATOM   898  O O   . PRO A 1 116 ? 18.856  -24.503 -10.376 1.000 22.592 0 116 PRO A O   1 ? 
ATOM   899  C CB  . PRO A 1 116 ? 19.773  -23.130 -7.639  1.000 21.851 0 116 PRO A CB  1 ? 
ATOM   900  C CG  . PRO A 1 116 ? 19.366  -24.485 -7.239  1.000 21.646 0 116 PRO A CG  1 ? 
ATOM   901  C CD  . PRO A 1 116 ? 17.820  -24.398 -7.183  1.000 20.656 0 116 PRO A CD  1 ? 
ATOM   902  N N   . THR A 1 117 ? 19.830  -22.491 -10.895 1.000 21.766 0 117 THR A N   1 ? 
ATOM   903  C CA  . THR A 1 117 ? 20.416  -22.907 -12.179 1.000 23.225 0 117 THR A CA  1 ? 
ATOM   904  C C   . THR A 1 117 ? 21.930  -23.010 -12.052 1.000 28.412 0 117 THR A C   1 ? 
ATOM   905  O O   . THR A 1 117 ? 22.571  -23.419 -13.024 1.000 30.504 0 117 THR A O   1 ? 
ATOM   906  C CB  . THR A 1 117 ? 20.050  -21.941 -13.288 1.000 22.881 0 117 THR A CB  1 ? 
ATOM   907  O OG1 . THR A 1 117 ? 20.491  -20.614 -13.012 1.000 24.894 0 117 THR A OG1 1 ? 
ATOM   908  C CG2 . THR A 1 117 ? 18.555  -21.900 -13.567 1.000 24.202 0 117 THR A CG2 1 ? 
ATOM   909  N N   . THR A 1 118 ? 22.449  -22.659 -10.869 1.000 26.522 0 118 THR A N   1 ? 
ATOM   910  C CA  . THR A 1 118 ? 23.872  -22.787 -10.533 1.000 27.215 0 118 THR A CA  1 ? 
ATOM   911  C C   . THR A 1 118 ? 24.002  -23.850 -9.448  1.000 30.592 0 118 THR A C   1 ? 
ATOM   912  O O   . THR A 1 118 ? 22.995  -24.372 -8.957  1.000 30.935 0 118 THR A O   1 ? 
ATOM   913  C CB  . THR A 1 118 ? 24.451  -21.437 -10.114 1.000 28.160 0 118 THR A CB  1 ? 
ATOM   914  O OG1 . THR A 1 118 ? 23.629  -20.914 -9.068  1.000 29.289 0 118 THR A OG1 1 ? 
ATOM   915  C CG2 . THR A 1 118 ? 24.472  -20.421 -11.245 1.000 33.526 0 118 THR A CG2 1 ? 
ATOM   916  N N   . ARG A 1 119 ? 25.242  -24.190 -9.063  1.000 31.996 0 119 ARG A N   1 ? 
ATOM   917  C CA  . ARG A 1 119 ? 25.493  -25.339 -8.208  1.000 33.718 0 119 ARG A CA  1 ? 
ATOM   918  C C   . ARG A 1 119 ? 25.357  -25.013 -6.718  1.000 33.224 0 119 ARG A C   1 ? 
ATOM   919  O O   . ARG A 1 119 ? 25.541  -23.867 -6.286  1.000 36.033 0 119 ARG A O   1 ? 
ATOM   920  C CB  . ARG A 1 119 ? 26.908  -25.871 -8.506  1.000 40.233 0 119 ARG A CB  1 ? 
ATOM   921  C CG  . ARG A 1 119 ? 26.940  -26.788 -9.725  0.300 44.397 0 119 ARG A CG  1 ? 
ATOM   922  C CD  . ARG A 1 119 ? 28.337  -27.025 -10.296 0.600 48.501 0 119 ARG A CD  1 ? 
ATOM   923  N NE  . ARG A 1 119 ? 29.300  -27.451 -9.271  0.580 49.900 0 119 ARG A NE  1 ? 
ATOM   924  C CZ  . ARG A 1 119 ? 30.413  -26.810 -8.915  0.260 52.715 0 119 ARG A CZ  1 ? 
ATOM   925  N NH1 . ARG A 1 119 ? 30.814  -25.723 -9.550  0.700 53.902 0 119 ARG A NH1 1 ? 
ATOM   926  N NH2 . ARG A 1 119 ? 31.142  -27.271 -7.917  0.370 53.317 0 119 ARG A NH2 1 ? 
ATOM   927  N N   . GLY A 1 120 ? 24.996  -26.025 -5.923  1.000 33.169 0 120 GLY A N   1 ? 
ATOM   928  C CA  . GLY A 1 120 ? 25.269  -25.986 -4.494  1.000 35.348 0 120 GLY A CA  1 ? 
ATOM   929  C C   . GLY A 1 120 ? 24.044  -25.954 -3.577  1.000 32.669 0 120 GLY A C   1 ? 
ATOM   930  O O   . GLY A 1 120 ? 24.226  -25.688 -2.404  1.000 32.492 0 120 GLY A O   1 ? 
ATOM   931  N N   . CYS A 1 121 ? 22.821  -26.188 -4.094  1.000 28.794 0 121 CYS A N   1 ? 
ATOM   932  C CA  . CYS A 1 121 ? 21.625  -26.295 -3.276  1.000 28.736 0 121 CYS A CA  1 ? 
ATOM   933  C C   . CYS A 1 121 ? 20.529  -26.949 -4.125  1.000 30.059 0 121 CYS A C   1 ? 
ATOM   934  O O   . CYS A 1 121 ? 20.689  -27.100 -5.338  1.000 32.632 0 121 CYS A O   1 ? 
ATOM   935  C CB  . CYS A 1 121 ? 21.194  -24.943 -2.717  1.000 28.102 0 121 CYS A CB  1 ? 
ATOM   936  S SG  . CYS A 1 121 ? 21.037  -23.695 -4.015  1.000 26.830 0 121 CYS A SG  1 ? 
ATOM   937  N N   . ARG A 1 122 ? 19.417  -27.251 -3.474  1.000 29.583 0 122 ARG A N   1 ? 
ATOM   938  C CA  A ARG A 1 122 ? 18.286  -27.932 -4.080  0.450 29.936 0 122 ARG A CA  1 ? 
ATOM   939  C CA  B ARG A 1 122 ? 18.286  -27.933 -4.078  0.550 31.099 0 122 ARG A CA  1 ? 
ATOM   940  C C   . ARG A 1 122 ? 17.199  -26.902 -4.379  1.000 25.583 0 122 ARG A C   1 ? 
ATOM   941  O O   . ARG A 1 122 ? 17.262  -25.762 -3.909  1.000 26.280 0 122 ARG A O   1 ? 
ATOM   942  C CB  A ARG A 1 122 ? 17.763  -28.994 -3.106  0.450 33.214 0 122 ARG A CB  1 ? 
ATOM   943  C CB  B ARG A 1 122 ? 17.745  -29.009 -3.127  0.550 36.427 0 122 ARG A CB  1 ? 
ATOM   944  C CG  A ARG A 1 122 ? 17.152  -28.427 -1.834  0.450 35.512 0 122 ARG A CG  1 ? 
ATOM   945  C CG  B ARG A 1 122 ? 16.912  -28.531 -1.946  0.550 41.000 0 122 ARG A CG  1 ? 
ATOM   946  C CD  A ARG A 1 122 ? 16.780  -29.488 -0.804  0.450 37.980 0 122 ARG A CD  1 ? 
ATOM   947  C CD  B ARG A 1 122 ? 16.100  -29.669 -1.322  0.550 45.412 0 122 ARG A CD  1 ? 
ATOM   948  N NE  A ARG A 1 122 ? 16.716  -28.894 0.536   0.450 41.017 0 122 ARG A NE  1 ? 
ATOM   949  N NE  B ARG A 1 122 ? 15.266  -29.241 -0.189  0.550 51.178 0 122 ARG A NE  1 ? 
ATOM   950  C CZ  A ARG A 1 122 ? 17.767  -28.740 1.324   0.450 44.207 0 122 ARG A CZ  1 ? 
ATOM   951  C CZ  B ARG A 1 122 ? 13.931  -29.243 -0.138  0.550 47.568 0 122 ARG A CZ  1 ? 
ATOM   952  N NH1 A ARG A 1 122 ? 18.870  -29.416 1.074   0.450 48.140 0 122 ARG A NH1 1 ? 
ATOM   953  N NH1 B ARG A 1 122 ? 13.218  -29.510 -1.220  0.550 43.568 0 122 ARG A NH1 1 ? 
ATOM   954  N NH2 A ARG A 1 122 ? 17.698  -27.968 2.390   0.450 44.247 0 122 ARG A NH2 1 ? 
ATOM   955  N NH2 B ARG A 1 122 ? 13.318  -28.947 0.997   0.550 46.915 0 122 ARG A NH2 1 ? 
ATOM   956  N N   . GLY A 1 123 ? 16.269  -27.281 -5.229  1.000 23.617 0 123 GLY A N   1 ? 
ATOM   957  C CA  . GLY A 1 123 ? 15.098  -26.454 -5.464  1.000 21.170 0 123 GLY A CA  1 ? 
ATOM   958  C C   . GLY A 1 123 ? 13.945  -26.908 -4.573  1.000 24.373 0 123 GLY A C   1 ? 
ATOM   959  O O   . GLY A 1 123 ? 13.996  -27.946 -3.903  1.000 24.917 0 123 GLY A O   1 ? 
ATOM   960  N N   . VAL A 1 124 ? 12.854  -26.156 -4.665  1.000 21.468 0 124 VAL A N   1 ? 
ATOM   961  C CA  . VAL A 1 124 ? 11.626  -26.513 -3.964  1.000 22.008 0 124 VAL A CA  1 ? 
ATOM   962  C C   . VAL A 1 124 ? 10.454  -26.373 -4.929  1.000 19.079 0 124 VAL A C   1 ? 
ATOM   963  O O   . VAL A 1 124 ? 10.508  -25.598 -5.900  1.000 18.684 0 124 VAL A O   1 ? 
ATOM   964  C CB  . VAL A 1 124 ? 11.424  -25.633 -2.730  1.000 25.419 0 124 VAL A CB  1 ? 
ATOM   965  C CG1 . VAL A 1 124 ? 12.380  -26.056 -1.609  1.000 28.927 0 124 VAL A CG1 1 ? 
ATOM   966  C CG2 . VAL A 1 124 ? 11.545  -24.179 -3.057  1.000 27.422 0 124 VAL A CG2 1 ? 
ATOM   967  N N   . ARG A 1 125 ? 9.384   -27.096 -4.641  1.000 18.235 0 125 ARG A N   1 ? 
ATOM   968  C CA  . ARG A 1 125 ? 8.250   -27.158 -5.540  1.000 19.287 0 125 ARG A CA  1 ? 
ATOM   969  C C   . ARG A 1 125 ? 6.952   -27.264 -4.753  1.000 20.129 0 125 ARG A C   1 ? 
ATOM   970  O O   . ARG A 1 125 ? 6.913   -27.900 -3.692  1.000 21.137 0 125 ARG A O   1 ? 
ATOM   971  C CB  . ARG A 1 125 ? 8.422   -28.368 -6.455  1.000 24.193 0 125 ARG A CB  1 ? 
ATOM   972  C CG  . ARG A 1 125 ? 7.312   -28.628 -7.455  1.000 27.920 0 125 ARG A CG  1 ? 
ATOM   973  C CD  . ARG A 1 125 ? 7.713   -29.874 -8.296  1.000 31.696 0 125 ARG A CD  1 ? 
ATOM   974  N NE  . ARG A 1 125 ? 8.854   -29.605 -9.185  1.000 33.588 0 125 ARG A NE  1 ? 
ATOM   975  C CZ  . ARG A 1 125 ? 9.188   -30.347 -10.251 1.000 41.294 0 125 ARG A CZ  1 ? 
ATOM   976  N NH1 . ARG A 1 125 ? 8.557   -31.486 -10.507 1.000 47.828 0 125 ARG A NH1 1 ? 
ATOM   977  N NH2 . ARG A 1 125 ? 10.140  -29.928 -11.064 1.000 37.726 0 125 ARG A NH2 1 ? 
ATOM   978  N N   . CYS A 1 126 ? 5.912   -26.639 -5.275  1.000 16.624 0 126 CYS A N   1 ? 
ATOM   979  C CA  . CYS A 1 126 ? 4.546   -26.934 -4.858  1.000 16.840 0 126 CYS A CA  1 ? 
ATOM   980  C C   . CYS A 1 126 ? 3.726   -27.073 -6.123  1.000 17.529 0 126 CYS A C   1 ? 
ATOM   981  O O   . CYS A 1 126 ? 3.388   -26.050 -6.753  1.000 16.853 0 126 CYS A O   1 ? 
ATOM   982  C CB  . CYS A 1 126 ? 4.008   -25.829 -3.968  1.000 16.774 0 126 CYS A CB  1 ? 
ATOM   983  S SG  . CYS A 1 126 ? 2.275   -26.073 -3.496  1.000 17.726 0 126 CYS A SG  1 ? 
ATOM   984  N N   . ALA A 1 127 ? 3.434   -28.328 -6.486  1.000 18.371 0 127 ALA A N   1 ? 
ATOM   985  C CA  . ALA A 1 127 ? 2.800   -28.594 -7.773  1.000 21.272 0 127 ALA A CA  1 ? 
ATOM   986  C C   . ALA A 1 127 ? 1.542   -29.435 -7.678  1.000 24.768 0 127 ALA A C   1 ? 
ATOM   987  O O   . ALA A 1 127 ? 0.992   -29.826 -8.687  1.000 26.298 0 127 ALA A O   1 ? 
ATOM   988  C CB  . ALA A 1 127 ? 3.768   -29.242 -8.733  1.000 23.215 0 127 ALA A CB  1 ? 
ATOM   989  N N   . ALA A 1 128 ? 0.993   -29.579 -6.494  1.000 21.938 0 128 ALA A N   1 ? 
ATOM   990  C CA  . ALA A 1 128 ? -0.213  -30.346 -6.285  1.000 20.637 0 128 ALA A CA  1 ? 
ATOM   991  C C   . ALA A 1 128 ? -1.407  -29.522 -6.735  1.000 20.423 0 128 ALA A C   1 ? 
ATOM   992  O O   . ALA A 1 128 ? -1.332  -28.302 -6.887  1.000 21.643 0 128 ALA A O   1 ? 
ATOM   993  C CB  . ALA A 1 128 ? -0.289  -30.670 -4.824  1.000 24.477 0 128 ALA A CB  1 ? 
ATOM   994  N N   . ASP A 1 129 ? -2.563  -30.187 -6.904  1.000 21.427 0 129 ASP A N   1 ? 
ATOM   995  C CA  . ASP A 1 129 ? -3.762  -29.512 -7.342  1.000 21.940 0 129 ASP A CA  1 ? 
ATOM   996  C C   . ASP A 1 129 ? -4.517  -28.904 -6.163  1.000 21.274 0 129 ASP A C   1 ? 
ATOM   997  O O   . ASP A 1 129 ? -5.575  -29.350 -5.750  1.000 20.064 0 129 ASP A O   1 ? 
ATOM   998  C CB  . ASP A 1 129 ? -4.745  -30.451 -8.024  1.000 26.279 0 129 ASP A CB  1 ? 
ATOM   999  C CG  . ASP A 1 129 ? -5.920  -29.759 -8.689  1.000 24.381 0 129 ASP A CG  1 ? 
ATOM   1000 O OD1 . ASP A 1 129 ? -5.948  -28.503 -8.829  1.000 27.776 0 129 ASP A OD1 1 ? 
ATOM   1001 O OD2 . ASP A 1 129 ? -6.821  -30.513 -9.088  1.000 37.287 0 129 ASP A OD2 1 ? 
ATOM   1002 N N   . ILE A 1 130 ? -3.902  -27.864 -5.614  1.000 17.157 0 130 ILE A N   1 ? 
ATOM   1003 C CA  . ILE A 1 130 ? -4.463  -27.230 -4.434  1.000 17.229 0 130 ILE A CA  1 ? 
ATOM   1004 C C   . ILE A 1 130 ? -5.787  -26.572 -4.795  1.000 16.410 0 130 ILE A C   1 ? 
ATOM   1005 O O   . ILE A 1 130 ? -6.711  -26.544 -3.965  1.000 19.394 0 130 ILE A O   1 ? 
ATOM   1006 C CB  . ILE A 1 130 ? -3.451  -26.262 -3.829  1.000 17.088 0 130 ILE A CB  1 ? 
ATOM   1007 C CG1 . ILE A 1 130 ? -2.362  -27.077 -3.116  1.000 19.663 0 130 ILE A CG1 1 ? 
ATOM   1008 C CG2 . ILE A 1 130 ? -4.128  -25.213 -2.949  1.000 18.546 0 130 ILE A CG2 1 ? 
ATOM   1009 C CD1 . ILE A 1 130 ? -1.309  -26.270 -2.417  1.000 20.682 0 130 ILE A CD1 1 ? 
ATOM   1010 N N   . VAL A 1 131 ? -5.954  -25.991 -5.998  1.000 16.290 0 131 VAL A N   1 ? 
ATOM   1011 C CA  . VAL A 1 131 ? -7.199  -25.335 -6.328  1.000 17.029 0 131 VAL A CA  1 ? 
ATOM   1012 C C   . VAL A 1 131 ? -8.317  -26.367 -6.404  1.000 18.958 0 131 VAL A C   1 ? 
ATOM   1013 O O   . VAL A 1 131 ? -9.412  -26.100 -5.892  1.000 19.907 0 131 VAL A O   1 ? 
ATOM   1014 C CB  . VAL A 1 131 ? -7.081  -24.501 -7.622  1.000 20.044 0 131 VAL A CB  1 ? 
ATOM   1015 C CG1 . VAL A 1 131 ? -8.386  -23.803 -7.923  1.000 23.285 0 131 VAL A CG1 1 ? 
ATOM   1016 C CG2 . VAL A 1 131 ? -5.996  -23.454 -7.459  1.000 20.284 0 131 VAL A CG2 1 ? 
ATOM   1017 N N   . GLY A 1 132 ? -8.043  -27.485 -7.065  1.000 17.922 0 132 GLY A N   1 ? 
ATOM   1018 C CA  . GLY A 1 132 ? -9.085  -28.513 -7.210  1.000 19.868 0 132 GLY A CA  1 ? 
ATOM   1019 C C   . GLY A 1 132 ? -9.541  -29.056 -5.852  1.000 20.689 0 132 GLY A C   1 ? 
ATOM   1020 O O   . GLY A 1 132 ? -10.731 -29.352 -5.643  1.000 23.941 0 132 GLY A O   1 ? 
ATOM   1021 N N   . GLN A 1 133 ? -8.623  -29.136 -4.897  1.000 17.696 0 133 GLN A N   1 ? 
ATOM   1022 C CA  . GLN A 1 133 ? -8.942  -29.784 -3.629  1.000 18.577 0 133 GLN A CA  1 ? 
ATOM   1023 C C   . GLN A 1 133 ? -9.290  -28.782 -2.521  1.000 18.784 0 133 GLN A C   1 ? 
ATOM   1024 O O   . GLN A 1 133 ? -9.642  -29.183 -1.414  1.000 19.981 0 133 GLN A O   1 ? 
ATOM   1025 C CB  . GLN A 1 133 ? -7.739  -30.598 -3.153  1.000 19.786 0 133 GLN A CB  1 ? 
ATOM   1026 C CG  . GLN A 1 133 ? -7.273  -31.752 -4.033  1.000 22.711 0 133 GLN A CG  1 ? 
ATOM   1027 C CD  . GLN A 1 133 ? -8.300  -32.852 -4.185  1.000 29.018 0 133 GLN A CD  1 ? 
ATOM   1028 O OE1 . GLN A 1 133 ? -9.432  -32.786 -3.697  1.000 26.993 0 133 GLN A OE1 1 ? 
ATOM   1029 N NE2 . GLN A 1 133 ? -7.951  -33.851 -4.973  1.000 40.568 0 133 GLN A NE2 1 ? 
ATOM   1030 N N   . CYS A 1 134 ? -9.203  -27.494 -2.821  1.000 17.570 0 134 CYS A N   1 ? 
ATOM   1031 C CA  . CYS A 1 134 ? -9.374  -26.404 -1.866  1.000 16.210 0 134 CYS A CA  1 ? 
ATOM   1032 C C   . CYS A 1 134 ? -10.648 -26.603 -1.036  1.000 18.257 0 134 CYS A C   1 ? 
ATOM   1033 O O   . CYS A 1 134 ? -11.716 -26.739 -1.611  1.000 19.650 0 134 CYS A O   1 ? 
ATOM   1034 C CB  . CYS A 1 134 ? -9.439  -25.099 -2.639  1.000 16.525 0 134 CYS A CB  1 ? 
ATOM   1035 S SG  . CYS A 1 134 ? -9.366  -23.608 -1.637  1.000 16.168 0 134 CYS A SG  1 ? 
ATOM   1036 N N   . PRO A 1 135 ? -10.557 -26.456 0.306   1.000 17.440 0 135 PRO A N   1 ? 
ATOM   1037 C CA  . PRO A 1 135 ? -11.753 -26.411 1.140   1.000 21.913 0 135 PRO A CA  1 ? 
ATOM   1038 C C   . PRO A 1 135 ? -12.729 -25.368 0.650   1.000 21.495 0 135 PRO A C   1 ? 
ATOM   1039 O O   . PRO A 1 135 ? -12.392 -24.251 0.292   1.000 19.933 0 135 PRO A O   1 ? 
ATOM   1040 C CB  . PRO A 1 135 ? -11.154 -26.032 2.503   1.000 23.285 0 135 PRO A CB  1 ? 
ATOM   1041 C CG  . PRO A 1 135 ? -9.755  -26.491 2.512   1.000 23.328 0 135 PRO A CG  1 ? 
ATOM   1042 C CD  . PRO A 1 135 ? -9.321  -26.312 1.086   1.000 19.239 0 135 PRO A CD  1 ? 
ATOM   1043 N N   . ALA A 1 136 ? -14.028 -25.667 0.756   1.000 22.816 0 136 ALA A N   1 ? 
ATOM   1044 C CA  . ALA A 1 136 ? -15.032 -24.774 0.258   1.000 23.228 0 136 ALA A CA  1 ? 
ATOM   1045 C C   . ALA A 1 136 ? -14.918 -23.343 0.797   1.000 20.346 0 136 ALA A C   1 ? 
ATOM   1046 O O   . ALA A 1 136 ? -15.056 -22.387 0.045   1.000 22.042 0 136 ALA A O   1 ? 
ATOM   1047 C CB  . ALA A 1 136 ? -16.379 -25.389 0.655   1.000 30.383 0 136 ALA A CB  1 ? 
ATOM   1048 N N   . LYS A 1 137 ? -14.638 -23.157 2.089   1.000 20.241 0 137 LYS A N   1 ? 
ATOM   1049 C CA  . LYS A 1 137 ? -14.609 -21.804 2.634   1.000 19.334 0 137 LYS A CA  1 ? 
ATOM   1050 C C   . LYS A 1 137 ? -13.383 -21.009 2.180   1.000 19.824 0 137 LYS A C   1 ? 
ATOM   1051 O O   . LYS A 1 137 ? -13.398 -19.782 2.282   1.000 22.188 0 137 LYS A O   1 ? 
ATOM   1052 C CB  . LYS A 1 137 ? -14.648 -21.872 4.167   1.000 24.110 0 137 LYS A CB  1 ? 
ATOM   1053 C CG  . LYS A 1 137 ? -16.055 -22.311 4.667   1.000 25.384 0 137 LYS A CG  1 ? 
ATOM   1054 C CD  . LYS A 1 137 ? -16.151 -22.165 6.178   1.000 33.992 0 137 LYS A CD  1 ? 
ATOM   1055 C CE  . LYS A 1 137 ? -17.556 -22.472 6.651   1.000 42.209 0 137 LYS A CE  1 ? 
ATOM   1056 N NZ  . LYS A 1 137 ? -17.536 -22.801 8.079   1.000 48.084 0 137 LYS A NZ  1 ? 
ATOM   1057 N N   . LEU A 1 138 ? -12.375 -21.669 1.612   1.000 17.347 0 138 LEU A N   1 ? 
ATOM   1058 C CA  . LEU A 1 138 ? -11.160 -20.968 1.148   1.000 16.293 0 138 LEU A CA  1 ? 
ATOM   1059 C C   . LEU A 1 138 ? -11.166 -20.744 -0.360  1.000 16.526 0 138 LEU A C   1 ? 
ATOM   1060 O O   . LEU A 1 138 ? -10.270 -20.073 -0.858  1.000 17.694 0 138 LEU A O   1 ? 
ATOM   1061 C CB  . LEU A 1 138 ? -9.904  -21.747 1.511   1.000 15.060 0 138 LEU A CB  1 ? 
ATOM   1062 C CG  . LEU A 1 138 ? -9.631  -22.022 2.987   1.000 16.304 0 138 LEU A CG  1 ? 
ATOM   1063 C CD1 . LEU A 1 138 ? -8.304  -22.805 3.118   1.000 18.014 0 138 LEU A CD1 1 ? 
ATOM   1064 C CD2 . LEU A 1 138 ? -9.687  -20.765 3.800   1.000 18.366 0 138 LEU A CD2 1 ? 
ATOM   1065 N N   . LYS A 1 139 ? -12.102 -21.317 -1.100  1.000 17.051 0 139 LYS A N   1 ? 
ATOM   1066 C CA  . LYS A 1 139 ? -12.080 -21.126 -2.533  1.000 19.777 0 139 LYS A CA  1 ? 
ATOM   1067 C C   . LYS A 1 139 ? -12.349 -19.668 -2.907  1.000 20.355 0 139 LYS A C   1 ? 
ATOM   1068 O O   . LYS A 1 139 ? -13.255 -19.036 -2.391  1.000 23.339 0 139 LYS A O   1 ? 
ATOM   1069 C CB  . LYS A 1 139 ? -13.144 -21.981 -3.214  1.000 24.654 0 139 LYS A CB  1 ? 
ATOM   1070 C CG  . LYS A 1 139 ? -12.996 -23.449 -3.034  1.000 29.690 0 139 LYS A CG  1 ? 
ATOM   1071 C CD  . LYS A 1 139 ? -14.045 -24.257 -3.805  1.000 42.076 0 139 LYS A CD  1 ? 
ATOM   1072 C CE  . LYS A 1 139 ? -13.678 -24.402 -5.256  1.000 52.380 0 139 LYS A CE  1 ? 
ATOM   1073 N NZ  . LYS A 1 139 ? -12.372 -25.048 -5.492  1.000 57.149 0 139 LYS A NZ  1 ? 
ATOM   1074 N N   . ALA A 1 140 ? -11.508 -19.098 -3.759  1.000 19.681 0 140 ALA A N   1 ? 
ATOM   1075 C CA  . ALA A 1 140 ? -11.694 -17.752 -4.278  1.000 21.389 0 140 ALA A CA  1 ? 
ATOM   1076 C C   . ALA A 1 140 ? -12.506 -17.815 -5.576  1.000 24.383 0 140 ALA A C   1 ? 
ATOM   1077 O O   . ALA A 1 140 ? -12.146 -18.546 -6.478  1.000 25.872 0 140 ALA A O   1 ? 
ATOM   1078 C CB  . ALA A 1 140 ? -10.351 -17.134 -4.519  1.000 24.898 0 140 ALA A CB  1 ? 
ATOM   1079 N N   . PRO A 1 141 ? -13.564 -16.997 -5.717  1.000 30.088 0 141 PRO A N   1 ? 
ATOM   1080 C CA  . PRO A 1 141 ? -14.404 -17.040 -6.918  1.000 33.346 0 141 PRO A CA  1 ? 
ATOM   1081 C C   . PRO A 1 141 ? -13.647 -16.757 -8.205  1.000 35.079 0 141 PRO A C   1 ? 
ATOM   1082 O O   . PRO A 1 141 ? -13.923 -17.372 -9.245  1.000 37.817 0 141 PRO A O   1 ? 
ATOM   1083 C CB  . PRO A 1 141 ? -15.410 -15.936 -6.608  1.000 33.834 0 141 PRO A CB  1 ? 
ATOM   1084 C CG  . PRO A 1 141 ? -15.512 -15.915 -5.121  1.000 36.544 0 141 PRO A CG  1 ? 
ATOM   1085 C CD  . PRO A 1 141 ? -14.065 -16.099 -4.685  1.000 32.303 0 141 PRO A CD  1 ? 
ATOM   1086 N N   . GLY A 1 142 ? -12.683 -15.829 -8.101  1.000 34.794 0 142 GLY A N   1 ? 
ATOM   1087 C CA  . GLY A 1 142 ? -11.857 -15.428 -9.229  1.000 34.634 0 142 GLY A CA  1 ? 
ATOM   1088 C C   . GLY A 1 142 ? -10.861 -16.500 -9.654  1.000 33.361 0 142 GLY A C   1 ? 
ATOM   1089 O O   . GLY A 1 142 ? -10.264 -16.448 -10.727 1.000 37.061 0 142 GLY A O   1 ? 
ATOM   1090 N N   . GLY A 1 143 ? -10.693 -17.500 -8.796  1.000 32.282 0 143 GLY A N   1 ? 
ATOM   1091 C CA  . GLY A 1 143 ? -9.732  -18.541 -9.035  1.000 28.903 0 143 GLY A CA  1 ? 
ATOM   1092 C C   . GLY A 1 143 ? -8.819  -18.581 -7.803  1.000 23.661 0 143 GLY A C   1 ? 
ATOM   1093 O O   . GLY A 1 143 ? -8.650  -17.596 -7.088  1.000 27.048 0 143 GLY A O   1 ? 
ATOM   1094 N N   . GLY A 1 144 ? -8.330  -19.761 -7.531  1.000 22.289 0 144 GLY A N   1 ? 
ATOM   1095 C CA  . GLY A 1 144 ? -7.324  -19.933 -6.514  1.000 17.953 0 144 GLY A CA  1 ? 
ATOM   1096 C C   . GLY A 1 144 ? -7.918  -20.378 -5.184  1.000 16.250 0 144 GLY A C   1 ? 
ATOM   1097 O O   . GLY A 1 144 ? -9.119  -20.591 -5.031  1.000 18.493 0 144 GLY A O   1 ? 
ATOM   1098 N N   . CYS A 1 145 ? -7.020  -20.562 -4.256  1.000 14.743 0 145 CYS A N   1 ? 
ATOM   1099 C CA  . CYS A 1 145 ? -7.348  -21.094 -2.921  1.000 13.654 0 145 CYS A CA  1 ? 
ATOM   1100 C C   . CYS A 1 145 ? -6.735  -20.159 -1.901  1.000 14.009 0 145 CYS A C   1 ? 
ATOM   1101 O O   . CYS A 1 145 ? -5.525  -20.031 -1.791  1.000 14.512 0 145 CYS A O   1 ? 
ATOM   1102 C CB  . CYS A 1 145 ? -6.806  -22.504 -2.754  1.000 13.839 0 145 CYS A CB  1 ? 
ATOM   1103 S SG  . CYS A 1 145 ? -7.389  -23.328 -1.268  1.000 15.972 0 145 CYS A SG  1 ? 
ATOM   1104 N N   . ASN A 1 146 ? -7.559  -19.376 -1.200  1.000 13.584 0 146 ASN A N   1 ? 
ATOM   1105 C CA  . ASN A 1 146 ? -7.081  -18.419 -0.247  1.000 13.866 0 146 ASN A CA  1 ? 
ATOM   1106 C C   . ASN A 1 146 ? -6.516  -19.071 0.989   1.000 14.841 0 146 ASN A C   1 ? 
ATOM   1107 O O   . ASN A 1 146 ? -6.951  -20.129 1.370   1.000 15.464 0 146 ASN A O   1 ? 
ATOM   1108 C CB  . ASN A 1 146 ? -8.222  -17.542 0.236   1.000 15.729 0 146 ASN A CB  1 ? 
ATOM   1109 C CG  . ASN A 1 146 ? -8.683  -16.531 -0.766  1.000 20.021 0 146 ASN A CG  1 ? 
ATOM   1110 O OD1 . ASN A 1 146 ? -7.844  -15.795 -1.286  1.000 22.271 0 146 ASN A OD1 1 ? 
ATOM   1111 N ND2 . ASN A 1 146 ? -10.002 -16.442 -0.949  1.000 24.089 0 146 ASN A ND2 1 ? 
ATOM   1112 N N   . ASP A 1 147 ? -5.599  -18.389 1.646   1.000 13.326 0 147 ASP A N   1 ? 
ATOM   1113 C CA  . ASP A 1 147 ? -5.223  -18.767 3.002   1.000 13.127 0 147 ASP A CA  1 ? 
ATOM   1114 C C   . ASP A 1 147 ? -6.302  -18.306 3.992   1.000 12.692 0 147 ASP A C   1 ? 
ATOM   1115 O O   . ASP A 1 147 ? -7.092  -17.388 3.724   1.000 13.896 0 147 ASP A O   1 ? 
ATOM   1116 C CB  . ASP A 1 147 ? -3.904  -18.116 3.340   1.000 13.864 0 147 ASP A CB  1 ? 
ATOM   1117 C CG  . ASP A 1 147 ? -3.979  -16.614 3.381   1.000 14.895 0 147 ASP A CG  1 ? 
ATOM   1118 O OD1 . ASP A 1 147 ? -4.083  -15.983 2.318   1.000 14.548 0 147 ASP A OD1 1 ? 
ATOM   1119 O OD2 . ASP A 1 147 ? -4.126  -16.082 4.539   1.000 14.915 0 147 ASP A OD2 1 ? 
ATOM   1120 N N   . ALA A 1 148 ? -6.273  -18.918 5.158   1.000 13.015 0 148 ALA A N   1 ? 
ATOM   1121 C CA  . ALA A 1 148 ? -7.283  -18.657 6.160   1.000 13.165 0 148 ALA A CA  1 ? 
ATOM   1122 C C   . ALA A 1 148 ? -7.155  -17.256 6.750   1.000 13.115 0 148 ALA A C   1 ? 
ATOM   1123 O O   . ALA A 1 148 ? -8.139  -16.756 7.276   1.000 14.210 0 148 ALA A O   1 ? 
ATOM   1124 C CB  . ALA A 1 148 ? -7.151  -19.686 7.234   1.000 13.741 0 148 ALA A CB  1 ? 
ATOM   1125 N N   . CYS A 1 149 ? -5.959  -16.687 6.856   1.000 13.571 0 149 CYS A N   1 ? 
ATOM   1126 C CA  . CYS A 1 149 ? -5.814  -15.336 7.370   1.000 12.735 0 149 CYS A CA  1 ? 
ATOM   1127 C C   . CYS A 1 149 ? -6.542  -14.339 6.474   1.000 14.515 0 149 CYS A C   1 ? 
ATOM   1128 O O   . CYS A 1 149 ? -7.346  -13.526 6.945   1.000 15.182 0 149 CYS A O   1 ? 
ATOM   1129 C CB  . CYS A 1 149 ? -4.351  -14.983 7.524   1.000 13.630 0 149 CYS A CB  1 ? 
ATOM   1130 S SG  . CYS A 1 149 ? -4.041  -13.241 7.887   1.000 16.062 0 149 CYS A SG  1 ? 
ATOM   1131 N N   . THR A 1 150 ? -6.326  -14.402 5.173   1.000 12.995 0 150 THR A N   1 ? 
ATOM   1132 C CA  . THR A 1 150 ? -7.028  -13.575 4.220   1.000 13.933 0 150 THR A CA  1 ? 
ATOM   1133 C C   . THR A 1 150 ? -8.523  -13.678 4.411   1.000 14.949 0 150 THR A C   1 ? 
ATOM   1134 O O   . THR A 1 150 ? -9.215  -12.668 4.390   1.000 19.105 0 150 THR A O   1 ? 
ATOM   1135 C CB  . THR A 1 150 ? -6.624  -14.013 2.801   1.000 15.370 0 150 THR A CB  1 ? 
ATOM   1136 O OG1 . THR A 1 150 ? -5.238  -13.673 2.685   1.000 15.844 0 150 THR A OG1 1 ? 
ATOM   1137 C CG2 . THR A 1 150 ? -7.480  -13.328 1.758   1.000 18.034 0 150 THR A CG2 1 ? 
ATOM   1138 N N   . VAL A 1 151 ? -9.048  -14.901 4.543   1.000 13.339 0 151 VAL A N   1 ? 
ATOM   1139 C CA  . VAL A 1 151 ? -10.484 -15.106 4.582   1.000 14.551 0 151 VAL A CA  1 ? 
ATOM   1140 C C   . VAL A 1 151 ? -11.109 -14.665 5.921   1.000 15.113 0 151 VAL A C   1 ? 
ATOM   1141 O O   . VAL A 1 151 ? -12.101 -13.924 5.929   1.000 18.034 0 151 VAL A O   1 ? 
ATOM   1142 C CB  . VAL A 1 151 ? -10.839 -16.572 4.302   1.000 16.444 0 151 VAL A CB  1 ? 
ATOM   1143 C CG1 . VAL A 1 151 ? -12.329 -16.849 4.462   1.000 18.289 0 151 VAL A CG1 1 ? 
ATOM   1144 C CG2 . VAL A 1 151 ? -10.426 -16.954 2.875   1.000 17.179 0 151 VAL A CG2 1 ? 
ATOM   1145 N N   . PHE A 1 152 ? -10.535 -15.076 7.038   1.000 14.357 0 152 PHE A N   1 ? 
ATOM   1146 C CA  . PHE A 1 152 ? -11.200 -14.952 8.342   1.000 14.303 0 152 PHE A CA  1 ? 
ATOM   1147 C C   . PHE A 1 152 ? -10.638 -13.829 9.184   1.000 15.325 0 152 PHE A C   1 ? 
ATOM   1148 O O   . PHE A 1 152 ? -11.300 -13.402 10.139  1.000 16.012 0 152 PHE A O   1 ? 
ATOM   1149 C CB  . PHE A 1 152 ? -11.123 -16.268 9.091   1.000 14.139 0 152 PHE A CB  1 ? 
ATOM   1150 C CG  . PHE A 1 152 ? -11.916 -17.374 8.448   1.000 13.707 0 152 PHE A CG  1 ? 
ATOM   1151 C CD1 . PHE A 1 152 ? -13.305 -17.353 8.448   1.000 17.078 0 152 PHE A CD1 1 ? 
ATOM   1152 C CD2 . PHE A 1 152 ? -11.258 -18.386 7.768   1.000 15.741 0 152 PHE A CD2 1 ? 
ATOM   1153 C CE1 . PHE A 1 152 ? -14.007 -18.393 7.873   1.000 19.462 0 152 PHE A CE1 1 ? 
ATOM   1154 C CE2 . PHE A 1 152 ? -11.991 -19.408 7.164   1.000 18.256 0 152 PHE A CE2 1 ? 
ATOM   1155 C CZ  . PHE A 1 152 ? -13.363 -19.380 7.184   1.000 18.097 0 152 PHE A CZ  1 ? 
ATOM   1156 N N   . GLN A 1 153 ? -9.389  -13.399 8.995   1.000 14.791 0 153 GLN A N   1 ? 
ATOM   1157 C CA  A GLN A 1 153 ? -8.838  -12.232 9.681   0.740 14.609 0 153 GLN A CA  1 ? 
ATOM   1158 C CA  B GLN A 1 153 ? -8.806  -12.242 9.678   0.260 14.528 0 153 GLN A CA  1 ? 
ATOM   1159 C C   . GLN A 1 153 ? -8.851  -12.411 11.200  1.000 14.272 0 153 GLN A C   1 ? 
ATOM   1160 O O   . GLN A 1 153 ? -9.284  -11.501 11.917  1.000 16.967 0 153 GLN A O   1 ? 
ATOM   1161 C CB  A GLN A 1 153 ? -9.608  -10.968 9.293   0.740 16.361 0 153 GLN A CB  1 ? 
ATOM   1162 C CB  B GLN A 1 153 ? -9.452  -10.909 9.282   0.260 14.839 0 153 GLN A CB  1 ? 
ATOM   1163 C CG  A GLN A 1 153 ? -9.537  -10.672 7.798   0.740 20.609 0 153 GLN A CG  1 ? 
ATOM   1164 C CG  B GLN A 1 153 ? -9.214  -10.496 7.830   0.260 15.491 0 153 GLN A CG  1 ? 
ATOM   1165 C CD  A GLN A 1 153 ? -8.355  -9.805  7.479   0.740 26.179 0 153 GLN A CD  1 ? 
ATOM   1166 C CD  B GLN A 1 153 ? -7.849  -9.898  7.568   0.260 17.215 0 153 GLN A CD  1 ? 
ATOM   1167 O OE1 A GLN A 1 153 ? -8.485  -8.584  7.526   0.740 25.367 0 153 GLN A OE1 1 ? 
ATOM   1168 O OE1 B GLN A 1 153 ? -7.574  -8.718  7.837   0.260 15.810 0 153 GLN A OE1 1 ? 
ATOM   1169 N NE2 A GLN A 1 153 ? -7.192  -10.408 7.270   0.740 32.714 0 153 GLN A NE2 1 ? 
ATOM   1170 N NE2 B GLN A 1 153 ? -6.981  -10.704 6.978   0.260 19.567 0 153 GLN A NE2 1 ? 
ATOM   1171 N N   . THR A 1 154 ? -8.432  -13.580 11.691  1.000 13.592 0 154 THR A N   1 ? 
ATOM   1172 C CA  . THR A 1 154 ? -8.285  -13.812 13.119  1.000 13.710 0 154 THR A CA  1 ? 
ATOM   1173 C C   . THR A 1 154 ? -6.820  -13.729 13.519  1.000 14.449 0 154 THR A C   1 ? 
ATOM   1174 O O   . THR A 1 154 ? -5.903  -13.985 12.738  1.000 15.295 0 154 THR A O   1 ? 
ATOM   1175 C CB  . THR A 1 154 ? -8.869  -15.136 13.569  1.000 14.898 0 154 THR A CB  1 ? 
ATOM   1176 O OG1 . THR A 1 154 ? -8.055  -16.186 13.048  1.000 16.290 0 154 THR A OG1 1 ? 
ATOM   1177 C CG2 . THR A 1 154 ? -10.294 -15.331 13.125  1.000 17.925 0 154 THR A CG2 1 ? 
ATOM   1178 N N   . SER A 1 155 ? -6.591  -13.487 14.821  1.000 14.184 0 155 SER A N   1 ? 
ATOM   1179 C CA  A SER A 1 155 ? -5.252  -13.520 15.377  0.710 14.290 0 155 SER A CA  1 ? 
ATOM   1180 C CA  B SER A 1 155 ? -5.257  -13.524 15.397  0.290 14.489 0 155 SER A CA  1 ? 
ATOM   1181 C C   . SER A 1 155 ? -4.576  -14.873 15.154  1.000 14.749 0 155 SER A C   1 ? 
ATOM   1182 O O   . SER A 1 155 ? -3.385  -14.941 14.903  1.000 17.020 0 155 SER A O   1 ? 
ATOM   1183 C CB  A SER A 1 155 ? -5.239  -13.142 16.831  0.710 17.420 0 155 SER A CB  1 ? 
ATOM   1184 C CB  B SER A 1 155 ? -5.292  -13.185 16.871  0.290 15.715 0 155 SER A CB  1 ? 
ATOM   1185 O OG  A SER A 1 155 ? -5.741  -11.829 17.055  0.710 20.502 0 155 SER A OG  1 ? 
ATOM   1186 O OG  B SER A 1 155 ? -6.016  -14.140 17.642  0.290 16.812 0 155 SER A OG  1 ? 
ATOM   1187 N N   . GLU A 1 156 ? -5.338  -15.952 15.263  1.000 14.647 0 156 GLU A N   1 ? 
ATOM   1188 C CA  . GLU A 1 156 ? -4.790  -17.280 15.167  1.000 13.287 0 156 GLU A CA  1 ? 
ATOM   1189 C C   . GLU A 1 156 ? -4.313  -17.556 13.741  1.000 15.047 0 156 GLU A C   1 ? 
ATOM   1190 O O   . GLU A 1 156 ? -3.198  -18.030 13.561  1.000 16.010 0 156 GLU A O   1 ? 
ATOM   1191 C CB  . GLU A 1 156 ? -5.773  -18.340 15.648  1.000 14.636 0 156 GLU A CB  1 ? 
ATOM   1192 C CG  . GLU A 1 156 ? -5.140  -19.719 15.805  1.000 15.450 0 156 GLU A CG  1 ? 
ATOM   1193 C CD  . GLU A 1 156 ? -4.113  -19.809 16.893  1.000 15.394 0 156 GLU A CD  1 ? 
ATOM   1194 O OE1 . GLU A 1 156 ? -4.009  -18.876 17.709  1.000 17.241 0 156 GLU A OE1 1 ? 
ATOM   1195 O OE2 . GLU A 1 156 ? -3.322  -20.779 16.913  1.000 18.290 0 156 GLU A OE2 1 ? 
ATOM   1196 N N   . TYR A 1 157 ? -5.120  -17.247 12.726  1.000 14.188 0 157 TYR A N   1 ? 
ATOM   1197 C CA  . TYR A 1 157 ? -4.686  -17.579 11.367  1.000 14.488 0 157 TYR A CA  1 ? 
ATOM   1198 C C   . TYR A 1 157 ? -3.589  -16.637 10.901  1.000 15.224 0 157 TYR A C   1 ? 
ATOM   1199 O O   . TYR A 1 157 ? -2.761  -17.023 10.082  1.000 15.820 0 157 TYR A O   1 ? 
ATOM   1200 C CB  . TYR A 1 157 ? -5.865  -17.469 10.411  1.000 13.403 0 157 TYR A CB  1 ? 
ATOM   1201 C CG  . TYR A 1 157 ? -6.955  -18.498 10.645  1.000 14.264 0 157 TYR A CG  1 ? 
ATOM   1202 C CD1 . TYR A 1 157 ? -6.656  -19.821 10.924  1.000 16.062 0 157 TYR A CD1 1 ? 
ATOM   1203 C CD2 . TYR A 1 157 ? -8.274  -18.154 10.613  1.000 14.079 0 157 TYR A CD2 1 ? 
ATOM   1204 C CE1 . TYR A 1 157 ? -7.657  -20.749 11.133  1.000 14.687 0 157 TYR A CE1 1 ? 
ATOM   1205 C CE2 . TYR A 1 157 ? -9.287  -19.084 10.789  1.000 14.896 0 157 TYR A CE2 1 ? 
ATOM   1206 C CZ  . TYR A 1 157 ? -8.972  -20.381 11.081  1.000 13.633 0 157 TYR A CZ  1 ? 
ATOM   1207 O OH  . TYR A 1 157 ? -9.963  -21.295 11.348  1.000 15.603 0 157 TYR A OH  1 ? 
ATOM   1208 N N   . CYS A 1 158 ? -3.659  -15.386 11.315  1.000 14.586 0 158 CYS A N   1 ? 
ATOM   1209 C CA  . CYS A 1 158 ? -2.704  -14.384 10.865  1.000 15.505 0 158 CYS A CA  1 ? 
ATOM   1210 C C   . CYS A 1 158 ? -1.483  -14.277 11.761  1.000 17.904 0 158 CYS A C   1 ? 
ATOM   1211 O O   . CYS A 1 158 ? -0.526  -13.610 11.383  1.000 19.068 0 158 CYS A O   1 ? 
ATOM   1212 C CB  . CYS A 1 158 ? -3.418  -13.040 10.798  1.000 15.227 0 158 CYS A CB  1 ? 
ATOM   1213 S SG  . CYS A 1 158 ? -4.854  -12.981 9.714   1.000 15.515 0 158 CYS A SG  1 ? 
ATOM   1214 N N   . CYS A 1 159 ? -1.475  -15.013 12.888  1.000 16.600 0 159 CYS A N   1 ? 
ATOM   1215 C CA  A CYS A 1 159 ? -0.369  -15.073 13.810  0.590 17.737 0 159 CYS A CA  1 ? 
ATOM   1216 C CA  B CYS A 1 159 ? -0.339  -15.082 13.793  0.410 17.812 0 159 CYS A CA  1 ? 
ATOM   1217 C C   . CYS A 1 159 ? 0.054   -13.692 14.292  1.000 18.838 0 159 CYS A C   1 ? 
ATOM   1218 O O   . CYS A 1 159 ? 1.219   -13.401 14.491  1.000 19.725 0 159 CYS A O   1 ? 
ATOM   1219 C CB  A CYS A 1 159 ? 0.772   -15.814 13.168  0.590 19.019 0 159 CYS A CB  1 ? 
ATOM   1220 C CB  B CYS A 1 159 ? 0.839   -15.785 13.136  0.410 18.814 0 159 CYS A CB  1 ? 
ATOM   1221 S SG  A CYS A 1 159 ? 1.692   -16.726 14.417  0.590 18.621 0 159 CYS A SG  1 ? 
ATOM   1222 S SG  B CYS A 1 159 ? 0.551   -17.545 12.790  0.410 18.224 0 159 CYS A SG  1 ? 
ATOM   1223 N N   . THR A 1 160 ? -0.949  -12.891 14.609  1.000 19.246 0 160 THR A N   1 ? 
ATOM   1224 C CA  . THR A 1 160 ? -0.766  -11.496 14.919  1.000 20.706 0 160 THR A CA  1 ? 
ATOM   1225 C C   . THR A 1 160 ? 0.028   -11.293 16.207  1.000 25.001 0 160 THR A C   1 ? 
ATOM   1226 O O   . THR A 1 160 ? 0.706   -10.267 16.305  1.000 31.112 0 160 THR A O   1 ? 
ATOM   1227 C CB  . THR A 1 160 ? -2.170  -10.878 15.057  1.000 24.701 0 160 THR A CB  1 ? 
ATOM   1228 O OG1 . THR A 1 160 ? -2.880  -11.189 13.870  1.000 26.289 0 160 THR A OG1 1 ? 
ATOM   1229 C CG2 . THR A 1 160 ? -2.134  -9.370  15.171  1.000 30.024 0 160 THR A CG2 1 ? 
ATOM   1230 N N   . THR A 1 161 ? -0.166  -12.173 17.193  1.000 24.432 0 161 THR A N   1 ? 
ATOM   1231 C CA  . THR A 1 161 ? 0.470   -12.001 18.504  1.000 29.113 0 161 THR A CA  1 ? 
ATOM   1232 C C   . THR A 1 161 ? 1.847   -12.647 18.473  1.000 33.154 0 161 THR A C   1 ? 
ATOM   1233 O O   . THR A 1 161 ? 2.597   -12.531 19.432  1.000 36.119 0 161 THR A O   1 ? 
ATOM   1234 C CB  . THR A 1 161 ? -0.346  -12.603 19.639  1.000 31.012 0 161 THR A CB  1 ? 
ATOM   1235 O OG1 . THR A 1 161 ? -0.226  -14.008 19.494  1.000 30.920 0 161 THR A OG1 1 ? 
ATOM   1236 C CG2 . THR A 1 161 ? -1.821  -12.239 19.620  1.000 35.180 0 161 THR A CG2 1 ? 
ATOM   1237 N N   . GLY A 1 162 ? 2.169   -13.345 17.392  1.000 29.069 0 162 GLY A N   1 ? 
ATOM   1238 C CA  . GLY A 1 162 ? 3.454   -13.997 17.242  1.000 30.915 0 162 GLY A CA  1 ? 
ATOM   1239 C C   . GLY A 1 162 ? 3.458   -15.361 17.911  1.000 29.100 0 162 GLY A C   1 ? 
ATOM   1240 O O   . GLY A 1 162 ? 4.462   -16.065 17.882  1.000 34.254 0 162 GLY A O   1 ? 
ATOM   1241 N N   . LYS A 1 163 ? 2.292   -15.735 18.434  1.000 26.709 0 163 LYS A N   1 ? 
ATOM   1242 C CA  . LYS A 1 163 ? 2.026   -17.067 18.911  1.000 30.022 0 163 LYS A CA  1 ? 
ATOM   1243 C C   . LYS A 1 163 ? 0.793   -17.529 18.160  1.000 29.693 0 163 LYS A C   1 ? 
ATOM   1244 O O   . LYS A 1 163 ? -0.252  -16.893 18.144  1.000 33.398 0 163 LYS A O   1 ? 
ATOM   1245 C CB  . LYS A 1 163 ? 1.810   -17.170 20.423  1.000 37.616 0 163 LYS A CB  1 ? 
ATOM   1246 C CG  . LYS A 1 163 ? 2.915   -16.556 21.294  0.750 43.458 0 163 LYS A CG  1 ? 
ATOM   1247 C CD  . LYS A 1 163 ? 4.334   -17.039 20.992  0.600 46.684 0 163 LYS A CD  1 ? 
ATOM   1248 C CE  . LYS A 1 163 ? 4.558   -18.526 21.125  0.830 52.987 0 163 LYS A CE  1 ? 
ATOM   1249 N NZ  . LYS A 1 163 ? 5.687   -18.994 20.306  0.680 49.963 0 163 LYS A NZ  1 ? 
ATOM   1250 N N   . CYS A 1 164 ? 0.980   -18.639 17.491  1.000 21.606 0 164 CYS A N   1 ? 
ATOM   1251 C CA  . CYS A 1 164 ? -0.118  -19.291 16.807  1.000 17.874 0 164 CYS A CA  1 ? 
ATOM   1252 C C   . CYS A 1 164 ? 0.306   -20.725 16.570  1.000 20.324 0 164 CYS A C   1 ? 
ATOM   1253 O O   . CYS A 1 164 ? 1.510   -21.009 16.601  1.000 22.797 0 164 CYS A O   1 ? 
ATOM   1254 C CB  . CYS A 1 164 ? -0.441  -18.617 15.485  1.000 18.990 0 164 CYS A CB  1 ? 
ATOM   1255 S SG  . CYS A 1 164 ? 0.942   -18.575 14.311  1.000 20.910 0 164 CYS A SG  1 ? 
ATOM   1256 N N   . GLY A 1 165 ? -0.656  -21.602 16.265  1.000 18.013 0 165 GLY A N   1 ? 
ATOM   1257 C CA  . GLY A 1 165 ? -0.336  -22.971 15.920  1.000 16.993 0 165 GLY A CA  1 ? 
ATOM   1258 C C   . GLY A 1 165 ? -0.829  -23.291 14.523  1.000 17.870 0 165 GLY A C   1 ? 
ATOM   1259 O O   . GLY A 1 165 ? -1.514  -22.473 13.901  1.000 16.932 0 165 GLY A O   1 ? 
ATOM   1260 N N   . PRO A 1 166 ? -0.544  -24.495 14.034  1.000 16.048 0 166 PRO A N   1 ? 
ATOM   1261 C CA  . PRO A 1 166 ? -1.142  -24.970 12.802  1.000 15.551 0 166 PRO A CA  1 ? 
ATOM   1262 C C   . PRO A 1 166 ? -2.651  -25.084 13.006  1.000 17.025 0 166 PRO A C   1 ? 
ATOM   1263 O O   . PRO A 1 166 ? -3.142  -25.237 14.145  1.000 17.149 0 166 PRO A O   1 ? 
ATOM   1264 C CB  . PRO A 1 166 ? -0.470  -26.323 12.583  1.000 19.523 0 166 PRO A CB  1 ? 
ATOM   1265 C CG  . PRO A 1 166 ? 0.104   -26.724 13.919  1.000 21.854 0 166 PRO A CG  1 ? 
ATOM   1266 C CD  . PRO A 1 166 ? 0.235   -25.507 14.773  1.000 18.155 0 166 PRO A CD  1 ? 
ATOM   1267 N N   . THR A 1 167 ? -3.385  -25.077 11.905  1.000 15.308 0 167 THR A N   1 ? 
ATOM   1268 C CA  . THR A 1 167 ? -4.835  -25.083 11.910  1.000 13.860 0 167 THR A CA  1 ? 
ATOM   1269 C C   . THR A 1 167 ? -5.344  -26.082 10.907  1.000 14.686 0 167 THR A C   1 ? 
ATOM   1270 O O   . THR A 1 167 ? -4.544  -26.596 10.117  1.000 15.917 0 167 THR A O   1 ? 
ATOM   1271 C CB  . THR A 1 167 ? -5.377  -23.691 11.583  1.000 14.429 0 167 THR A CB  1 ? 
ATOM   1272 O OG1 . THR A 1 167 ? -5.049  -23.394 10.196  1.000 15.047 0 167 THR A OG1 1 ? 
ATOM   1273 C CG2 . THR A 1 167 ? -4.864  -22.607 12.522  1.000 15.788 0 167 THR A CG2 1 ? 
ATOM   1274 N N   . GLU A 1 168 ? -6.640  -26.381 10.883  1.000 14.630 0 168 GLU A N   1 ? 
ATOM   1275 C CA  A GLU A 1 168 ? -7.174  -27.287 9.887   0.420 15.904 0 168 GLU A CA  1 ? 
ATOM   1276 C CA  B GLU A 1 168 ? -7.151  -27.295 9.891   0.580 15.566 0 168 GLU A CA  1 ? 
ATOM   1277 C C   . GLU A 1 168 ? -6.822  -26.770 8.488   1.000 15.050 0 168 GLU A C   1 ? 
ATOM   1278 O O   . GLU A 1 168 ? -6.520  -27.550 7.590   1.000 16.640 0 168 GLU A O   1 ? 
ATOM   1279 C CB  A GLU A 1 168 ? -8.689  -27.396 10.020  0.420 19.301 0 168 GLU A CB  1 ? 
ATOM   1280 C CB  B GLU A 1 168 ? -8.650  -27.488 10.062  0.580 18.825 0 168 GLU A CB  1 ? 
ATOM   1281 C CG  A GLU A 1 168 ? -9.312  -28.510 9.175   0.420 24.173 0 168 GLU A CG  1 ? 
ATOM   1282 C CG  B GLU A 1 168 ? -9.021  -28.595 11.047  0.580 24.712 0 168 GLU A CG  1 ? 
ATOM   1283 C CD  A GLU A 1 168 ? -10.823 -28.383 9.060   0.420 30.886 0 168 GLU A CD  1 ? 
ATOM   1284 C CD  B GLU A 1 168 ? -8.207  -29.883 10.874  0.580 27.401 0 168 GLU A CD  1 ? 
ATOM   1285 O OE1 A GLU A 1 168 ? -11.478 -28.579 10.098  0.420 36.760 0 168 GLU A OE1 1 ? 
ATOM   1286 O OE1 B GLU A 1 168 ? -8.533  -30.575 9.880   0.580 32.214 0 168 GLU A OE1 1 ? 
ATOM   1287 O OE2 A GLU A 1 168 ? -11.349 -28.024 7.978   0.420 37.390 0 168 GLU A OE2 1 ? 
ATOM   1288 O OE2 B GLU A 1 168 ? -7.188  -30.112 11.580  0.580 26.681 0 168 GLU A OE2 1 ? 
ATOM   1289 N N   . TYR A 1 169 ? -6.876  -25.452 8.323   1.000 13.805 0 169 TYR A N   1 ? 
ATOM   1290 C CA  . TYR A 1 169 ? -6.616  -24.890 7.005   1.000 13.147 0 169 TYR A CA  1 ? 
ATOM   1291 C C   . TYR A 1 169 ? -5.139  -24.944 6.660   1.000 14.438 0 169 TYR A C   1 ? 
ATOM   1292 O O   . TYR A 1 169 ? -4.818  -25.247 5.500   1.000 15.836 0 169 TYR A O   1 ? 
ATOM   1293 C CB  . TYR A 1 169 ? -7.144  -23.461 6.976   1.000 14.119 0 169 TYR A CB  1 ? 
ATOM   1294 C CG  . TYR A 1 169 ? -8.643  -23.381 7.120   1.000 13.520 0 169 TYR A CG  1 ? 
ATOM   1295 C CD1 . TYR A 1 169 ? -9.525  -24.024 6.260   1.000 14.817 0 169 TYR A CD1 1 ? 
ATOM   1296 C CD2 . TYR A 1 169 ? -9.207  -22.621 8.136   1.000 15.374 0 169 TYR A CD2 1 ? 
ATOM   1297 C CE1 . TYR A 1 169 ? -10.890 -23.910 6.390   1.000 16.031 0 169 TYR A CE1 1 ? 
ATOM   1298 C CE2 . TYR A 1 169 ? -10.574 -22.494 8.281   1.000 14.975 0 169 TYR A CE2 1 ? 
ATOM   1299 C CZ  . TYR A 1 169 ? -11.408 -23.173 7.423   1.000 16.708 0 169 TYR A CZ  1 ? 
ATOM   1300 O OH  . TYR A 1 169 ? -12.781 -23.059 7.559   1.000 18.962 0 169 TYR A OH  1 ? 
ATOM   1301 N N   . SER A 1 170 ? -4.223  -24.607 7.555   1.000 13.720 0 170 SER A N   1 ? 
ATOM   1302 C CA  . SER A 1 170 ? -2.803  -24.639 7.249   1.000 14.902 0 170 SER A CA  1 ? 
ATOM   1303 C C   . SER A 1 170 ? -2.408  -26.079 6.940   1.000 14.667 0 170 SER A C   1 ? 
ATOM   1304 O O   . SER A 1 170 ? -1.608  -26.327 6.019   1.000 15.088 0 170 SER A O   1 ? 
ATOM   1305 C CB  . SER A 1 170 ? -1.969  -24.051 8.319   1.000 15.824 0 170 SER A CB  1 ? 
ATOM   1306 O OG  . SER A 1 170 ? -1.820  -24.916 9.463   1.000 15.742 0 170 SER A OG  1 ? 
ATOM   1307 N N   . ARG A 1 171 ? -2.997  -27.067 7.617   1.000 15.126 0 171 ARG A N   1 ? 
ATOM   1308 C CA  . ARG A 1 171 ? -2.611  -28.455 7.428   1.000 16.198 0 171 ARG A CA  1 ? 
ATOM   1309 C C   . ARG A 1 171 ? -3.041  -28.939 6.057   1.000 15.577 0 171 ARG A C   1 ? 
ATOM   1310 O O   . ARG A 1 171 ? -2.424  -29.870 5.550   1.000 17.170 0 171 ARG A O   1 ? 
ATOM   1311 C CB  . ARG A 1 171 ? -3.225  -29.335 8.537   1.000 17.729 0 171 ARG A CB  1 ? 
ATOM   1312 C CG  . ARG A 1 171 ? -2.552  -29.190 9.880   1.000 18.281 0 171 ARG A CG  1 ? 
ATOM   1313 C CD  . ARG A 1 171 ? -3.278  -30.172 10.863  1.000 21.008 0 171 ARG A CD  1 ? 
ATOM   1314 N NE  . ARG A 1 171 ? -2.714  -29.955 12.187  1.000 23.253 0 171 ARG A NE  1 ? 
ATOM   1315 C CZ  . ARG A 1 171 ? -3.310  -29.229 13.133  1.000 20.616 0 171 ARG A CZ  1 ? 
ATOM   1316 N NH1 . ARG A 1 171 ? -4.478  -28.689 12.921  1.000 24.459 0 171 ARG A NH1 1 ? 
ATOM   1317 N NH2 . ARG A 1 171 ? -2.706  -29.127 14.309  1.000 25.881 0 171 ARG A NH2 1 ? 
ATOM   1318 N N   . PHE A 1 172 ? -4.065  -28.353 5.467   1.000 14.760 0 172 PHE A N   1 ? 
ATOM   1319 C CA  . PHE A 1 172 ? -4.487  -28.680 4.117   1.000 15.393 0 172 PHE A CA  1 ? 
ATOM   1320 C C   . PHE A 1 172 ? -3.340  -28.345 3.160   1.000 16.349 0 172 PHE A C   1 ? 
ATOM   1321 O O   . PHE A 1 172 ? -2.944  -29.153 2.337   1.000 16.225 0 172 PHE A O   1 ? 
ATOM   1322 C CB  . PHE A 1 172 ? -5.788  -27.974 3.803   1.000 18.758 0 172 PHE A CB  1 ? 
ATOM   1323 C CG  . PHE A 1 172 ? -6.001  -27.855 2.316   1.000 17.904 0 172 PHE A CG  1 ? 
ATOM   1324 C CD1 . PHE A 1 172 ? -6.379  -28.963 1.578   1.000 17.394 0 172 PHE A CD1 1 ? 
ATOM   1325 C CD2 . PHE A 1 172 ? -5.739  -26.663 1.657   1.000 17.432 0 172 PHE A CD2 1 ? 
ATOM   1326 C CE1 . PHE A 1 172 ? -6.511  -28.876 0.188   1.000 19.133 0 172 PHE A CE1 1 ? 
ATOM   1327 C CE2 . PHE A 1 172 ? -5.883  -26.602 0.278   1.000 18.985 0 172 PHE A CE2 1 ? 
ATOM   1328 C CZ  . PHE A 1 172 ? -6.257  -27.701 -0.443  1.000 18.652 0 172 PHE A CZ  1 ? 
ATOM   1329 N N   . PHE A 1 173 ? -2.863  -27.109 3.214   1.000 14.596 0 173 PHE A N   1 ? 
ATOM   1330 C CA  . PHE A 1 173 ? -1.795  -26.686 2.330   1.000 14.491 0 173 PHE A CA  1 ? 
ATOM   1331 C C   . PHE A 1 173 ? -0.566  -27.535 2.602   1.000 15.134 0 173 PHE A C   1 ? 
ATOM   1332 O O   . PHE A 1 173 ? 0.129   -27.870 1.665   1.000 16.163 0 173 PHE A O   1 ? 
ATOM   1333 C CB  . PHE A 1 173 ? -1.494  -25.213 2.542   1.000 14.658 0 173 PHE A CB  1 ? 
ATOM   1334 C CG  . PHE A 1 173 ? -2.535  -24.278 2.019   1.000 13.630 0 173 PHE A CG  1 ? 
ATOM   1335 C CD1 . PHE A 1 173 ? -2.509  -23.871 0.707   1.000 14.949 0 173 PHE A CD1 1 ? 
ATOM   1336 C CD2 . PHE A 1 173 ? -3.523  -23.758 2.839   1.000 15.087 0 173 PHE A CD2 1 ? 
ATOM   1337 C CE1 . PHE A 1 173 ? -3.462  -23.005 0.210   1.000 16.935 0 173 PHE A CE1 1 ? 
ATOM   1338 C CE2 . PHE A 1 173 ? -4.485  -22.951 2.327   1.000 17.026 0 173 PHE A CE2 1 ? 
ATOM   1339 C CZ  . PHE A 1 173 ? -4.445  -22.569 1.003   1.000 17.075 0 173 PHE A CZ  1 ? 
ATOM   1340 N N   . LYS A 1 174 ? -0.251  -27.873 3.837   1.000 14.141 0 174 LYS A N   1 ? 
ATOM   1341 C CA  . LYS A 1 174 ? 0.959   -28.576 4.196   1.000 14.674 0 174 LYS A CA  1 ? 
ATOM   1342 C C   . LYS A 1 174 ? 0.905   -30.027 3.742   1.000 16.497 0 174 LYS A C   1 ? 
ATOM   1343 O O   . LYS A 1 174 ? 1.930   -30.559 3.318   1.000 19.103 0 174 LYS A O   1 ? 
ATOM   1344 C CB  . LYS A 1 174 ? 1.194   -28.490 5.695   1.000 16.000 0 174 LYS A CB  1 ? 
ATOM   1345 C CG  . LYS A 1 174 ? 2.608   -28.870 6.094   1.000 17.603 0 174 LYS A CG  1 ? 
ATOM   1346 C CD  . LYS A 1 174 ? 3.658   -27.886 5.580   1.000 19.991 0 174 LYS A CD  1 ? 
ATOM   1347 C CE  . LYS A 1 174 ? 4.971   -27.984 6.246   1.000 20.968 0 174 LYS A CE  1 ? 
ATOM   1348 N NZ  . LYS A 1 174 ? 5.826   -26.939 5.705   1.000 22.657 0 174 LYS A NZ  1 ? 
ATOM   1349 N N   . ARG A 1 175 ? -0.279  -30.637 3.753   1.000 15.730 0 175 ARG A N   1 ? 
ATOM   1350 C CA  . ARG A 1 175 ? -0.426  -32.014 3.293   1.000 16.969 0 175 ARG A CA  1 ? 
ATOM   1351 C C   . ARG A 1 175 ? -0.158  -32.110 1.794   1.000 19.065 0 175 ARG A C   1 ? 
ATOM   1352 O O   . ARG A 1 175 ? 0.501   -33.048 1.355   1.000 21.904 0 175 ARG A O   1 ? 
ATOM   1353 C CB  . ARG A 1 175 ? -1.856  -32.453 3.614   1.000 19.677 0 175 ARG A CB  1 ? 
ATOM   1354 C CG  . ARG A 1 175 ? -2.269  -33.770 3.003   1.000 24.683 0 175 ARG A CG  1 ? 
ATOM   1355 C CD  . ARG A 1 175 ? -3.567  -34.193 3.638   1.000 26.817 0 175 ARG A CD  1 ? 
ATOM   1356 N NE  . ARG A 1 175 ? -4.745  -33.435 3.195   1.000 30.862 0 175 ARG A NE  1 ? 
ATOM   1357 C CZ  . ARG A 1 175 ? -5.431  -33.646 2.069   1.000 31.564 0 175 ARG A CZ  1 ? 
ATOM   1358 N NH1 . ARG A 1 175 ? -4.954  -34.454 1.150   1.000 35.061 0 175 ARG A NH1 1 ? 
ATOM   1359 N NH2 . ARG A 1 175 ? -6.568  -33.032 1.873   1.000 34.356 0 175 ARG A NH2 1 ? 
ATOM   1360 N N   . LEU A 1 176 ? -0.609  -31.126 1.028   1.000 16.470 0 176 LEU A N   1 ? 
ATOM   1361 C CA  . LEU A 1 176 ? -0.440  -31.166 -0.415  1.000 17.264 0 176 LEU A CA  1 ? 
ATOM   1362 C C   . LEU A 1 176 ? 0.941   -30.667 -0.830  1.000 19.700 0 176 LEU A C   1 ? 
ATOM   1363 O O   . LEU A 1 176 ? 1.443   -31.145 -1.870  1.000 19.297 0 176 LEU A O   1 ? 
ATOM   1364 C CB  . LEU A 1 176 ? -1.547  -30.394 -1.104  1.000 20.129 0 176 LEU A CB  1 ? 
ATOM   1365 C CG  . LEU A 1 176 ? -2.924  -31.070 -1.050  1.000 27.147 0 176 LEU A CG  1 ? 
ATOM   1366 C CD1 . LEU A 1 176 ? -3.862  -30.411 -2.003  1.000 27.494 0 176 LEU A CD1 1 ? 
ATOM   1367 C CD2 . LEU A 1 176 ? -2.784  -32.552 -1.398  1.000 32.643 0 176 LEU A CD2 1 ? 
ATOM   1368 N N   . CYS A 1 177 ? 1.529   -29.730 -0.068  1.000 16.557 0 177 CYS A N   1 ? 
ATOM   1369 C CA  . CYS A 1 177 ? 2.824   -29.155 -0.413  1.000 16.891 0 177 CYS A CA  1 ? 
ATOM   1370 C C   . CYS A 1 177 ? 3.675   -29.017 0.827   1.000 16.998 0 177 CYS A C   1 ? 
ATOM   1371 O O   . CYS A 1 177 ? 3.794   -27.956 1.428   1.000 17.084 0 177 CYS A O   1 ? 
ATOM   1372 C CB  . CYS A 1 177 ? 2.697   -27.786 -1.062  1.000 16.773 0 177 CYS A CB  1 ? 
ATOM   1373 S SG  . CYS A 1 177 ? 2.175   -27.970 -2.790  1.000 17.440 0 177 CYS A SG  1 ? 
ATOM   1374 N N   . PRO A 1 178 ? 4.285   -30.115 1.265   1.000 17.681 0 178 PRO A N   1 ? 
ATOM   1375 C CA  . PRO A 1 178 ? 5.119   -30.069 2.452   1.000 18.955 0 178 PRO A CA  1 ? 
ATOM   1376 C C   . PRO A 1 178 ? 6.309   -29.141 2.420   1.000 19.616 0 178 PRO A C   1 ? 
ATOM   1377 O O   . PRO A 1 178 ? 6.747   -28.691 3.471   1.000 21.136 0 178 PRO A O   1 ? 
ATOM   1378 C CB  . PRO A 1 178 ? 5.597   -31.516 2.635   1.000 24.887 0 178 PRO A CB  1 ? 
ATOM   1379 C CG  . PRO A 1 178 ? 4.870   -32.315 1.601   1.000 25.624 0 178 PRO A CG  1 ? 
ATOM   1380 C CD  . PRO A 1 178 ? 4.169   -31.443 0.632   1.000 20.365 0 178 PRO A CD  1 ? 
ATOM   1381 N N   . ASP A 1 179 ? 6.803   -28.835 1.221   1.000 19.265 0 179 ASP A N   1 ? 
ATOM   1382 C CA  A ASP A 1 179 ? 8.018   -28.051 1.099   0.880 21.578 0 179 ASP A CA  1 ? 
ATOM   1383 C CA  B ASP A 1 179 ? 8.026   -28.062 1.111   0.120 19.407 0 179 ASP A CA  1 ? 
ATOM   1384 C C   . ASP A 1 179 ? 7.726   -26.564 0.967   1.000 20.937 0 179 ASP A C   1 ? 
ATOM   1385 O O   . ASP A 1 179 ? 8.625   -25.799 0.689   1.000 24.241 0 179 ASP A O   1 ? 
ATOM   1386 C CB  A ASP A 1 179 ? 8.843   -28.484 -0.098  0.880 25.157 0 179 ASP A CB  1 ? 
ATOM   1387 C CB  B ASP A 1 179 ? 8.924   -28.697 0.059   0.120 18.741 0 179 ASP A CB  1 ? 
ATOM   1388 C CG  A ASP A 1 179 ? 9.644   -29.752 0.147   0.880 33.181 0 179 ASP A CG  1 ? 
ATOM   1389 C CG  B ASP A 1 179 ? 9.195   -30.183 0.280   0.120 18.310 0 179 ASP A CG  1 ? 
ATOM   1390 O OD1 A ASP A 1 179 ? 10.064  -29.960 1.325   0.880 43.427 0 179 ASP A OD1 1 ? 
ATOM   1391 O OD1 B ASP A 1 179 ? 9.535   -30.560 1.428   0.120 17.075 0 179 ASP A OD1 1 ? 
ATOM   1392 O OD2 A ASP A 1 179 ? 9.821   -30.509 -0.830  0.880 36.250 0 179 ASP A OD2 1 ? 
ATOM   1393 O OD2 B ASP A 1 179 ? 9.053   -30.960 -0.685  0.120 18.295 0 179 ASP A OD2 1 ? 
ATOM   1394 N N   . ALA A 1 180 ? 6.479   -26.122 1.198   1.000 17.391 0 180 ALA A N   1 ? 
ATOM   1395 C CA  . ALA A 1 180 ? 6.109   -24.717 1.210   1.000 16.085 0 180 ALA A CA  1 ? 
ATOM   1396 C C   . ALA A 1 180 ? 5.632   -24.297 2.599   1.000 15.370 0 180 ALA A C   1 ? 
ATOM   1397 O O   . ALA A 1 180 ? 5.001   -25.104 3.301   1.000 17.377 0 180 ALA A O   1 ? 
ATOM   1398 C CB  . ALA A 1 180 ? 5.020   -24.448 0.205   1.000 16.488 0 180 ALA A CB  1 ? 
ATOM   1399 N N   . PHE A 1 181 ? 5.885   -23.044 2.963   1.000 14.580 0 181 PHE A N   1 ? 
ATOM   1400 C CA  . PHE A 1 181 ? 5.325   -22.484 4.196   1.000 14.771 0 181 PHE A CA  1 ? 
ATOM   1401 C C   . PHE A 1 181 ? 3.805   -22.535 4.136   1.000 15.793 0 181 PHE A C   1 ? 
ATOM   1402 O O   . PHE A 1 181 ? 3.172   -22.097 3.187   1.000 15.695 0 181 PHE A O   1 ? 
ATOM   1403 C CB  . PHE A 1 181 ? 5.753   -21.055 4.420   1.000 16.604 0 181 PHE A CB  1 ? 
ATOM   1404 C CG  . PHE A 1 181 ? 7.160   -20.901 4.939   1.000 18.670 0 181 PHE A CG  1 ? 
ATOM   1405 C CD1 . PHE A 1 181 ? 8.233   -20.875 4.065   1.000 20.770 0 181 PHE A CD1 1 ? 
ATOM   1406 C CD2 . PHE A 1 181 ? 7.379   -20.772 6.296   1.000 20.374 0 181 PHE A CD2 1 ? 
ATOM   1407 C CE1 . PHE A 1 181 ? 9.513   -20.723 4.578   1.000 24.286 0 181 PHE A CE1 1 ? 
ATOM   1408 C CE2 . PHE A 1 181 ? 8.658   -20.634 6.794   1.000 22.576 0 181 PHE A CE2 1 ? 
ATOM   1409 C CZ  . PHE A 1 181 ? 9.713   -20.592 5.944   1.000 25.091 0 181 PHE A CZ  1 ? 
ATOM   1410 N N   . SER A 1 182 ? 3.176   -23.022 5.223   1.000 14.400 0 182 SER A N   1 ? 
ATOM   1411 C CA  . SER A 1 182 ? 1.710   -23.150 5.290   1.000 14.530 0 182 SER A CA  1 ? 
ATOM   1412 C C   . SER A 1 182 ? 1.083   -22.160 6.263   1.000 15.936 0 182 SER A C   1 ? 
ATOM   1413 O O   . SER A 1 182 ? -0.107  -21.929 6.155   1.000 17.038 0 182 SER A O   1 ? 
ATOM   1414 C CB  . SER A 1 182 ? 1.285   -24.525 5.604   1.000 15.852 0 182 SER A CB  1 ? 
ATOM   1415 O OG  . SER A 1 182 ? 1.662   -24.952 6.918   1.000 16.736 0 182 SER A OG  1 ? 
ATOM   1416 N N   . TYR A 1 183 ? 1.863   -21.629 7.200   1.000 15.567 0 183 TYR A N   1 ? 
ATOM   1417 C CA  . TYR A 1 183 ? 1.410   -20.584 8.108   1.000 16.259 0 183 TYR A CA  1 ? 
ATOM   1418 C C   . TYR A 1 183 ? 2.668   -19.879 8.616   1.000 18.446 0 183 TYR A C   1 ? 
ATOM   1419 O O   . TYR A 1 183 ? 3.788   -20.339 8.350   1.000 18.969 0 183 TYR A O   1 ? 
ATOM   1420 C CB  . TYR A 1 183 ? 0.519   -21.136 9.227   1.000 17.568 0 183 TYR A CB  1 ? 
ATOM   1421 C CG  . TYR A 1 183 ? 1.230   -21.956 10.294  1.000 16.305 0 183 TYR A CG  1 ? 
ATOM   1422 C CD1 . TYR A 1 183 ? 1.674   -23.264 10.073  1.000 17.630 0 183 TYR A CD1 1 ? 
ATOM   1423 C CD2 . TYR A 1 183 ? 1.425   -21.421 11.595  1.000 17.628 0 183 TYR A CD2 1 ? 
ATOM   1424 C CE1 . TYR A 1 183 ? 2.311   -23.988 11.073  1.000 18.915 0 183 TYR A CE1 1 ? 
ATOM   1425 C CE2 . TYR A 1 183 ? 2.006   -22.158 12.617  1.000 18.204 0 183 TYR A CE2 1 ? 
ATOM   1426 C CZ  . TYR A 1 183 ? 2.484   -23.418 12.335  1.000 21.757 0 183 TYR A CZ  1 ? 
ATOM   1427 O OH  . TYR A 1 183 ? 3.103   -24.151 13.316  1.000 25.330 0 183 TYR A OH  1 ? 
ATOM   1428 N N   . VAL A 1 184 ? 2.478   -18.768 9.325   1.000 20.053 0 184 VAL A N   1 ? 
ATOM   1429 C CA  . VAL A 1 184 ? 3.604   -17.880 9.614   1.000 21.590 0 184 VAL A CA  1 ? 
ATOM   1430 C C   . VAL A 1 184 ? 4.676   -18.589 10.434  1.000 23.004 0 184 VAL A C   1 ? 
ATOM   1431 O O   . VAL A 1 184 ? 5.845   -18.382 10.136  1.000 24.825 0 184 VAL A O   1 ? 
ATOM   1432 C CB  . VAL A 1 184 ? 3.109   -16.583 10.303  1.000 25.578 0 184 VAL A CB  1 ? 
ATOM   1433 C CG1 . VAL A 1 184 ? 4.254   -15.807 10.922  1.000 27.220 0 184 VAL A CG1 1 ? 
ATOM   1434 C CG2 . VAL A 1 184 ? 2.315   -15.753 9.327   1.000 29.048 0 184 VAL A CG2 1 ? 
ATOM   1435 N N   . LEU A 1 185 ? 4.339   -19.455 11.392  1.000 21.234 0 185 LEU A N   1 ? 
ATOM   1436 C CA  . LEU A 1 185 ? 5.314   -20.076 12.287  1.000 22.544 0 185 LEU A CA  1 ? 
ATOM   1437 C C   . LEU A 1 185 ? 5.582   -21.521 11.918  1.000 23.895 0 185 LEU A C   1 ? 
ATOM   1438 O O   . LEU A 1 185 ? 6.032   -22.321 12.726  1.000 25.006 0 185 LEU A O   1 ? 
ATOM   1439 C CB  . LEU A 1 185 ? 4.862   -19.944 13.746  1.000 24.739 0 185 LEU A CB  1 ? 
ATOM   1440 C CG  . LEU A 1 185 ? 5.031   -18.568 14.373  1.000 31.905 0 185 LEU A CG  1 ? 
ATOM   1441 C CD1 . LEU A 1 185 ? 4.594   -18.736 15.820  1.000 32.484 0 185 LEU A CD1 1 ? 
ATOM   1442 C CD2 . LEU A 1 185 ? 6.419   -17.954 14.252  1.000 37.060 0 185 LEU A CD2 1 ? 
ATOM   1443 N N   . ASP A 1 186 ? 5.296   -21.899 10.660  1.000 19.914 0 186 ASP A N   1 ? 
ATOM   1444 C CA  . ASP A 1 186 ? 5.594   -23.211 10.183  1.000 19.153 0 186 ASP A CA  1 ? 
ATOM   1445 C C   . ASP A 1 186 ? 7.093   -23.482 10.342  1.000 21.004 0 186 ASP A C   1 ? 
ATOM   1446 O O   . ASP A 1 186 ? 7.878   -22.545 10.271  1.000 23.593 0 186 ASP A O   1 ? 
ATOM   1447 C CB  . ASP A 1 186 ? 5.161   -23.285 8.725   1.000 18.775 0 186 ASP A CB  1 ? 
ATOM   1448 C CG  . ASP A 1 186 ? 4.824   -24.679 8.237   1.000 19.792 0 186 ASP A CG  1 ? 
ATOM   1449 O OD1 . ASP A 1 186 ? 5.063   -25.682 8.982   1.000 21.960 0 186 ASP A OD1 1 ? 
ATOM   1450 O OD2 . ASP A 1 186 ? 4.359   -24.809 7.090   1.000 19.126 0 186 ASP A OD2 1 ? 
ATOM   1451 N N   . LYS A 1 187 ? 7.442   -24.735 10.536  1.000 24.240 0 187 LYS A N   1 ? 
ATOM   1452 C CA  . LYS A 1 187 ? 8.836   -25.114 10.579  1.000 25.283 0 187 LYS A CA  1 ? 
ATOM   1453 C C   . LYS A 1 187 ? 9.419   -24.685 9.224   1.000 23.883 0 187 LYS A C   1 ? 
ATOM   1454 O O   . LYS A 1 187 ? 8.883   -25.049 8.188   1.000 25.510 0 187 LYS A O   1 ? 
ATOM   1455 C CB  . LYS A 1 187 ? 9.024   -26.620 10.751  1.000 29.376 0 187 LYS A CB  1 ? 
ATOM   1456 C CG  . LYS A 1 187 ? 10.480  -27.049 10.914  1.000 39.726 0 187 LYS A CG  1 ? 
ATOM   1457 C CD  . LYS A 1 187 ? 10.687  -28.561 10.889  1.000 52.921 0 187 LYS A CD  1 ? 
ATOM   1458 C CE  . LYS A 1 187 ? 10.650  -29.119 9.490   1.000 58.323 0 187 LYS A CE  1 ? 
ATOM   1459 N NZ  . LYS A 1 187 ? 11.508  -30.304 9.431   0.900 58.246 0 187 LYS A NZ  1 ? 
ATOM   1460 N N   . PRO A 1 188 ? 10.508  -23.885 9.183   1.000 26.613 0 188 PRO A N   1 ? 
ATOM   1461 C CA  . PRO A 1 188 ? 10.976  -23.332 7.912   1.000 26.835 0 188 PRO A CA  1 ? 
ATOM   1462 C C   . PRO A 1 188 ? 11.344  -24.376 6.873   1.000 25.384 0 188 PRO A C   1 ? 
ATOM   1463 O O   . PRO A 1 188 ? 11.966  -25.388 7.153   1.000 26.644 0 188 PRO A O   1 ? 
ATOM   1464 C CB  . PRO A 1 188 ? 12.132  -22.404 8.284   1.000 28.517 0 188 PRO A CB  1 ? 
ATOM   1465 C CG  . PRO A 1 188 ? 11.953  -22.157 9.766   1.000 33.546 0 188 PRO A CG  1 ? 
ATOM   1466 C CD  . PRO A 1 188 ? 11.268  -23.379 10.341  1.000 31.614 0 188 PRO A CD  1 ? 
ATOM   1467 N N   . THR A 1 189 ? 10.919  -24.105 5.642   1.000 23.971 0 189 THR A N   1 ? 
ATOM   1468 C CA  . THR A 1 189 ? 11.361  -24.884 4.494   1.000 23.163 0 189 THR A CA  1 ? 
ATOM   1469 C C   . THR A 1 189 ? 12.274  -24.059 3.591   1.000 23.136 0 189 THR A C   1 ? 
ATOM   1470 O O   . THR A 1 189 ? 12.415  -24.398 2.429   1.000 25.404 0 189 THR A O   1 ? 
ATOM   1471 C CB  . THR A 1 189 ? 10.149  -25.387 3.736   1.000 26.546 0 189 THR A CB  1 ? 
ATOM   1472 O OG1 . THR A 1 189 ? 9.323   -24.253 3.545   1.000 27.949 0 189 THR A OG1 1 ? 
ATOM   1473 C CG2 . THR A 1 189 ? 9.511   -26.509 4.544   1.000 30.295 0 189 THR A CG2 1 ? 
ATOM   1474 N N   . THR A 1 190 ? 12.929  -23.066 4.169   1.000 21.596 0 190 THR A N   1 ? 
ATOM   1475 C CA  . THR A 1 190 ? 13.904  -22.257 3.457   1.000 21.664 0 190 THR A CA  1 ? 
ATOM   1476 C C   . THR A 1 190 ? 15.085  -23.123 3.047   1.000 23.991 0 190 THR A C   1 ? 
ATOM   1477 O O   . THR A 1 190 ? 15.542  -23.968 3.824   1.000 24.295 0 190 THR A O   1 ? 
ATOM   1478 C CB  . THR A 1 190 ? 14.311  -21.095 4.363   1.000 25.124 0 190 THR A CB  1 ? 
ATOM   1479 O OG1 . THR A 1 190 ? 13.107  -20.436 4.785   1.000 27.948 0 190 THR A OG1 1 ? 
ATOM   1480 C CG2 . THR A 1 190 ? 15.124  -20.061 3.606   1.000 26.792 0 190 THR A CG2 1 ? 
ATOM   1481 N N   . VAL A 1 191 ? 15.586  -22.881 1.835   1.000 20.229 0 191 VAL A N   1 ? 
ATOM   1482 C CA  . VAL A 1 191 ? 16.822  -23.471 1.338   1.000 21.874 0 191 VAL A CA  1 ? 
ATOM   1483 C C   . VAL A 1 191 ? 17.908  -22.405 1.335   1.000 20.568 0 191 VAL A C   1 ? 
ATOM   1484 O O   . VAL A 1 191 ? 17.716  -21.244 0.916   1.000 21.447 0 191 VAL A O   1 ? 
ATOM   1485 C CB  . VAL A 1 191 ? 16.582  -24.027 -0.073  1.000 24.228 0 191 VAL A CB  1 ? 
ATOM   1486 C CG1 . VAL A 1 191 ? 17.886  -24.491 -0.720  1.000 25.788 0 191 VAL A CG1 1 ? 
ATOM   1487 C CG2 . VAL A 1 191 ? 15.536  -25.133 -0.034  1.000 27.289 0 191 VAL A CG2 1 ? 
ATOM   1488 N N   . THR A 1 192 ? 19.105  -22.833 1.800   1.000 22.070 0 192 THR A N   1 ? 
ATOM   1489 C CA  . THR A 1 192 ? 20.269  -21.982 1.802   1.000 22.244 0 192 THR A CA  1 ? 
ATOM   1490 C C   . THR A 1 192 ? 21.077  -22.348 0.567   1.000 20.705 0 192 THR A C   1 ? 
ATOM   1491 O O   . THR A 1 192 ? 21.437  -23.507 0.384   1.000 25.482 0 192 THR A O   1 ? 
ATOM   1492 C CB  . THR A 1 192 ? 21.109  -22.202 3.067   1.000 24.468 0 192 THR A CB  1 ? 
ATOM   1493 O OG1 . THR A 1 192 ? 20.263  -21.926 4.180   1.000 28.229 0 192 THR A OG1 1 ? 
ATOM   1494 C CG2 . THR A 1 192 ? 22.307  -21.283 3.052   1.000 25.052 0 192 THR A CG2 1 ? 
ATOM   1495 N N   . CYS A 1 193 ? 21.318  -21.354 -0.271  1.000 19.925 0 193 CYS A N   1 ? 
ATOM   1496 C CA  . CYS A 1 193 ? 22.140  -21.513 -1.460  1.000 21.797 0 193 CYS A CA  1 ? 
ATOM   1497 C C   . CYS A 1 193 ? 23.361  -20.612 -1.332  1.000 23.086 0 193 CYS A C   1 ? 
ATOM   1498 O O   . CYS A 1 193 ? 23.379  -19.618 -0.592  1.000 22.143 0 193 CYS A O   1 ? 
ATOM   1499 C CB  . CYS A 1 193 ? 21.406  -21.068 -2.719  1.000 22.254 0 193 CYS A CB  1 ? 
ATOM   1500 S SG  . CYS A 1 193 ? 20.017  -22.137 -3.129  1.000 23.791 0 193 CYS A SG  1 ? 
ATOM   1501 N N   . PRO A 1 194 ? 24.424  -20.885 -2.131  1.000 24.496 0 194 PRO A N   1 ? 
ATOM   1502 C CA  . PRO A 1 194 ? 25.565  -19.974 -2.186  1.000 25.704 0 194 PRO A CA  1 ? 
ATOM   1503 C C   . PRO A 1 194 ? 25.146  -18.567 -2.558  1.000 25.871 0 194 PRO A C   1 ? 
ATOM   1504 O O   . PRO A 1 194 ? 24.265  -18.370 -3.394  1.000 23.749 0 194 PRO A O   1 ? 
ATOM   1505 C CB  . PRO A 1 194 ? 26.437  -20.640 -3.271  1.000 26.967 0 194 PRO A CB  1 ? 
ATOM   1506 C CG  . PRO A 1 194 ? 26.144  -22.094 -3.137  1.000 28.409 0 194 PRO A CG  1 ? 
ATOM   1507 C CD  . PRO A 1 194 ? 24.608  -22.100 -2.933  1.000 27.622 0 194 PRO A CD  1 ? 
ATOM   1508 N N   . GLY A 1 195 ? 25.788  -17.563 -1.965  1.000 23.381 0 195 GLY A N   1 ? 
ATOM   1509 C CA  . GLY A 1 195 ? 25.565  -16.190 -2.359  1.000 22.964 0 195 GLY A CA  1 ? 
ATOM   1510 C C   . GLY A 1 195 ? 25.784  -16.041 -3.860  1.000 24.648 0 195 GLY A C   1 ? 
ATOM   1511 O O   . GLY A 1 195 ? 26.704  -16.649 -4.407  1.000 27.025 0 195 GLY A O   1 ? 
ATOM   1512 N N   . SER A 1 196 ? 24.942  -15.231 -4.494  1.000 21.451 0 196 SER A N   1 ? 
ATOM   1513 C CA  . SER A 1 196 ? 25.042  -14.916 -5.900  1.000 22.427 0 196 SER A CA  1 ? 
ATOM   1514 C C   . SER A 1 196 ? 24.722  -16.087 -6.809  1.000 24.919 0 196 SER A C   1 ? 
ATOM   1515 O O   . SER A 1 196 ? 25.247  -16.141 -7.928  1.000 24.544 0 196 SER A O   1 ? 
ATOM   1516 C CB  . SER A 1 196 ? 26.424  -14.374 -6.231  1.000 26.304 0 196 SER A CB  1 ? 
ATOM   1517 O OG  . SER A 1 196 ? 26.560  -13.083 -5.656  1.000 28.675 0 196 SER A OG  1 ? 
ATOM   1518 N N   . SER A 1 197 ? 23.839  -16.993 -6.373  1.000 22.279 0 197 SER A N   1 ? 
ATOM   1519 C CA  . SER A 1 197 ? 23.302  -18.024 -7.238  1.000 20.120 0 197 SER A CA  1 ? 
ATOM   1520 C C   . SER A 1 197 ? 22.346  -17.410 -8.250  1.000 18.776 0 197 SER A C   1 ? 
ATOM   1521 O O   . SER A 1 197 ? 21.903  -16.306 -8.086  1.000 20.297 0 197 SER A O   1 ? 
ATOM   1522 C CB  . SER A 1 197 ? 22.626  -19.100 -6.436  1.000 23.139 0 197 SER A CB  1 ? 
ATOM   1523 O OG  . SER A 1 197 ? 23.540  -19.814 -5.576  1.000 23.436 0 197 SER A OG  1 ? 
ATOM   1524 N N   . ASN A 1 198 ? 22.044  -18.167 -9.310  1.000 19.278 0 198 ASN A N   1 ? 
ATOM   1525 C CA  . ASN A 1 198 ? 21.012  -17.792 -10.274 1.000 18.535 0 198 ASN A CA  1 ? 
ATOM   1526 C C   . ASN A 1 198 ? 19.907  -18.848 -10.188 1.000 17.674 0 198 ASN A C   1 ? 
ATOM   1527 O O   . ASN A 1 198 ? 20.097  -19.947 -9.718  1.000 17.906 0 198 ASN A O   1 ? 
ATOM   1528 C CB  . ASN A 1 198 ? 21.564  -17.707 -11.696 1.000 19.322 0 198 ASN A CB  1 ? 
ATOM   1529 C CG  . ASN A 1 198 ? 22.618  -16.633 -11.805 1.000 21.656 0 198 ASN A CG  1 ? 
ATOM   1530 O OD1 . ASN A 1 198 ? 22.475  -15.505 -11.323 1.000 23.428 0 198 ASN A OD1 1 ? 
ATOM   1531 N ND2 . ASN A 1 198 ? 23.674  -16.981 -12.527 1.000 30.244 0 198 ASN A ND2 1 ? 
ATOM   1532 N N   . TYR A 1 199 ? 18.721  -18.476 -10.694 1.000 18.306 0 199 TYR A N   1 ? 
ATOM   1533 C CA  . TYR A 1 199 ? 17.543  -19.282 -10.433 1.000 17.727 0 199 TYR A CA  1 ? 
ATOM   1534 C C   . TYR A 1 199 ? 16.597  -19.321 -11.624 1.000 15.891 0 199 TYR A C   1 ? 
ATOM   1535 O O   . TYR A 1 199 ? 16.625  -18.485 -12.492 1.000 16.983 0 199 TYR A O   1 ? 
ATOM   1536 C CB  . TYR A 1 199 ? 16.760  -18.655 -9.261  1.000 17.789 0 199 TYR A CB  1 ? 
ATOM   1537 C CG  . TYR A 1 199 ? 17.585  -18.551 -7.982  1.000 17.983 0 199 TYR A CG  1 ? 
ATOM   1538 C CD1 . TYR A 1 199 ? 17.733  -19.632 -7.132  1.000 16.625 0 199 TYR A CD1 1 ? 
ATOM   1539 C CD2 . TYR A 1 199 ? 18.262  -17.372 -7.695  1.000 18.047 0 199 TYR A CD2 1 ? 
ATOM   1540 C CE1 . TYR A 1 199 ? 18.487  -19.553 -5.971  1.000 17.166 0 199 TYR A CE1 1 ? 
ATOM   1541 C CE2 . TYR A 1 199 ? 19.038  -17.294 -6.550  1.000 17.905 0 199 TYR A CE2 1 ? 
ATOM   1542 C CZ  . TYR A 1 199 ? 19.149  -18.378 -5.720  1.000 17.365 0 199 TYR A CZ  1 ? 
ATOM   1543 O OH  . TYR A 1 199 ? 19.892  -18.389 -4.540  1.000 21.591 0 199 TYR A OH  1 ? 
ATOM   1544 N N   . ARG A 1 200 ? 15.687  -20.302 -11.576 1.000 16.600 0 200 ARG A N   1 ? 
ATOM   1545 C CA  . ARG A 1 200 ? 14.588  -20.410 -12.525 1.000 14.693 0 200 ARG A CA  1 ? 
ATOM   1546 C C   . ARG A 1 200 ? 13.311  -20.644 -11.715 1.000 15.630 0 200 ARG A C   1 ? 
ATOM   1547 O O   . ARG A 1 200 ? 13.316  -21.529 -10.855 1.000 17.485 0 200 ARG A O   1 ? 
ATOM   1548 C CB  . ARG A 1 200 ? 14.820  -21.574 -13.481 1.000 16.357 0 200 ARG A CB  1 ? 
ATOM   1549 C CG  . ARG A 1 200 ? 13.701  -21.794 -14.493 1.000 17.580 0 200 ARG A CG  1 ? 
ATOM   1550 C CD  . ARG A 1 200 ? 13.932  -22.905 -15.482 1.000 20.778 0 200 ARG A CD  1 ? 
ATOM   1551 N NE  . ARG A 1 200 ? 14.997  -22.489 -16.388 1.000 22.754 0 200 ARG A NE  1 ? 
ATOM   1552 C CZ  . ARG A 1 200 ? 16.137  -23.108 -16.525 1.000 26.206 0 200 ARG A CZ  1 ? 
ATOM   1553 N NH1 . ARG A 1 200 ? 16.448  -24.165 -15.826 1.000 27.769 0 200 ARG A NH1 1 ? 
ATOM   1554 N NH2 . ARG A 1 200 ? 16.980  -22.683 -17.451 1.000 26.348 0 200 ARG A NH2 1 ? 
ATOM   1555 N N   . VAL A 1 201 ? 12.291  -19.861 -12.041 1.000 15.394 0 201 VAL A N   1 ? 
ATOM   1556 C CA  . VAL A 1 201 ? 10.952  -20.102 -11.518 1.000 14.900 0 201 VAL A CA  1 ? 
ATOM   1557 C C   . VAL A 1 201 ? 10.088  -20.616 -12.666 1.000 14.238 0 201 VAL A C   1 ? 
ATOM   1558 O O   . VAL A 1 201 ? 10.003  -19.936 -13.697 1.000 16.497 0 201 VAL A O   1 ? 
ATOM   1559 C CB  . VAL A 1 201 ? 10.346  -18.820 -10.935 1.000 16.009 0 201 VAL A CB  1 ? 
ATOM   1560 C CG1 . VAL A 1 201 ? 8.909   -19.044 -10.483 1.000 19.116 0 201 VAL A CG1 1 ? 
ATOM   1561 C CG2 . VAL A 1 201 ? 11.206  -18.286 -9.800  1.000 16.548 0 201 VAL A CG2 1 ? 
ATOM   1562 N N   . THR A 1 202 ? 9.536   -21.816 -12.503 1.000 14.476 0 202 THR A N   1 ? 
ATOM   1563 C CA  . THR A 1 202 ? 8.705   -22.422 -13.535 1.000 14.345 0 202 THR A CA  1 ? 
ATOM   1564 C C   . THR A 1 202 ? 7.270   -22.507 -13.013 1.000 14.202 0 202 THR A C   1 ? 
ATOM   1565 O O   . THR A 1 202 ? 7.060   -23.205 -11.995 1.000 16.423 0 202 THR A O   1 ? 
ATOM   1566 C CB  . THR A 1 202 ? 9.205   -23.810 -13.881 1.000 15.459 0 202 THR A CB  1 ? 
ATOM   1567 O OG1 . THR A 1 202 ? 10.602  -23.757 -14.204 1.000 18.091 0 202 THR A OG1 1 ? 
ATOM   1568 C CG2 . THR A 1 202 ? 8.424   -24.472 -15.011 1.000 16.825 0 202 THR A CG2 1 ? 
ATOM   1569 N N   . PHE A 1 203 ? 6.354   -21.902 -13.722 1.000 13.695 0 203 PHE A N   1 ? 
ATOM   1570 C CA  . PHE A 1 203 ? 4.933   -22.066 -13.449 1.000 13.127 0 203 PHE A CA  1 ? 
ATOM   1571 C C   . PHE A 1 203 ? 4.469   -23.342 -14.114 1.000 14.856 0 203 PHE A C   1 ? 
ATOM   1572 O O   . PHE A 1 203 ? 4.834   -23.625 -15.251 1.000 15.154 0 203 PHE A O   1 ? 
ATOM   1573 C CB  . PHE A 1 203 ? 4.141   -20.865 -13.902 1.000 14.364 0 203 PHE A CB  1 ? 
ATOM   1574 C CG  . PHE A 1 203 ? 4.630   -19.553 -13.328 1.000 15.517 0 203 PHE A CG  1 ? 
ATOM   1575 C CD1 . PHE A 1 203 ? 4.623   -19.340 -11.968 1.000 17.243 0 203 PHE A CD1 1 ? 
ATOM   1576 C CD2 . PHE A 1 203 ? 5.044   -18.519 -14.147 1.000 16.214 0 203 PHE A CD2 1 ? 
ATOM   1577 C CE1 . PHE A 1 203 ? 5.098   -18.120 -11.468 1.000 18.367 0 203 PHE A CE1 1 ? 
ATOM   1578 C CE2 . PHE A 1 203 ? 5.418   -17.278 -13.634 1.000 18.216 0 203 PHE A CE2 1 ? 
ATOM   1579 C CZ  . PHE A 1 203 ? 5.506   -17.131 -12.299 1.000 17.703 0 203 PHE A CZ  1 ? 
ATOM   1580 N N   . CYS A 1 204 ? 3.634   -24.115 -13.435 1.000 14.366 0 204 CYS A N   1 ? 
ATOM   1581 C CA  . CYS A 1 204 ? 3.092   -25.394 -13.917 1.000 15.076 0 204 CYS A CA  1 ? 
ATOM   1582 C C   . CYS A 1 204 ? 4.199   -26.344 -14.305 1.000 16.007 0 204 CYS A C   1 ? 
ATOM   1583 O O   . CYS A 1 204 ? 4.306   -26.772 -15.462 1.000 16.164 0 204 CYS A O   1 ? 
ATOM   1584 C CB  . CYS A 1 204 ? 2.104   -25.220 -15.060 1.000 15.923 0 204 CYS A CB  1 ? 
ATOM   1585 S SG  . CYS A 1 204 ? 0.683   -24.181 -14.662 1.000 16.414 0 204 CYS A SG  1 ? 
ATOM   1586 N N   . PRO A 1 205 ? 5.090   -26.690 -13.374 1.000 15.592 0 205 PRO A N   1 ? 
ATOM   1587 C CA  . PRO A 1 205 ? 6.258   -27.497 -13.686 1.000 16.592 0 205 PRO A CA  1 ? 
ATOM   1588 C C   . PRO A 1 205 ? 5.960   -28.883 -14.202 1.000 22.969 0 205 PRO A C   1 ? 
ATOM   1589 O O   . PRO A 1 205 ? 6.784   -29.420 -14.958 1.000 23.036 0 205 PRO A O   1 ? 
ATOM   1590 C CB  . PRO A 1 205 ? 7.065   -27.512 -12.421 1.000 18.448 0 205 PRO A CB  1 ? 
ATOM   1591 C CG  . PRO A 1 205 ? 6.089   -27.246 -11.334 1.000 18.009 0 205 PRO A CG  1 ? 
ATOM   1592 C CD  . PRO A 1 205 ? 5.081   -26.283 -11.945 1.000 15.435 0 205 PRO A CD  1 ? 
ATOM   1593 N N   . THR A 1 206 ? 4.839   -29.446 -13.773 1.000 21.722 0 206 THR A N   1 ? 
ATOM   1594 C CA  . THR A 1 206 ? 4.477   -30.816 -14.160 1.000 32.012 0 206 THR A CA  1 ? 
ATOM   1595 C C   . THR A 1 206 ? 3.413   -30.781 -15.238 1.000 42.026 0 206 THR A C   1 ? 
ATOM   1596 O O   . THR A 1 206 ? 3.809   -31.090 -16.384 1.000 55.156 0 206 THR A O   1 ? 
ATOM   1597 C CB  . THR A 1 206 ? 4.029   -31.624 -12.942 1.000 36.594 0 206 THR A CB  1 ? 
ATOM   1598 O OG1 . THR A 1 206 ? 2.863   -31.002 -12.417 1.000 45.590 0 206 THR A OG1 1 ? 
ATOM   1599 C CG2 . THR A 1 206 ? 5.090   -31.662 -11.862 1.000 40.009 0 206 THR A CG2 1 ? 
HETATM 1600 O O1  . TLA B 2 .   ? 10.634  -12.544 -26.609 1.000 24.259 0 301 TLA A O1  1 ? 
HETATM 1601 O O11 . TLA B 2 .   ? 10.860  -12.294 -24.413 1.000 25.949 0 301 TLA A O11 1 ? 
HETATM 1602 C C1  . TLA B 2 .   ? 10.479  -12.900 -25.428 1.000 25.114 0 301 TLA A C1  1 ? 
HETATM 1603 C C2  . TLA B 2 .   ? 9.808   -14.263 -25.233 1.000 20.140 0 301 TLA A C2  1 ? 
HETATM 1604 O O2  . TLA B 2 .   ? 9.473   -14.519 -23.866 1.000 19.411 0 301 TLA A O2  1 ? 
HETATM 1605 C C3  . TLA B 2 .   ? 10.726  -15.376 -25.730 1.000 19.565 0 301 TLA A C3  1 ? 
HETATM 1606 O O3  . TLA B 2 .   ? 11.930  -15.375 -25.001 1.000 20.738 0 301 TLA A O3  1 ? 
HETATM 1607 C C4  . TLA B 2 .   ? 10.028  -16.728 -25.596 1.000 17.172 0 301 TLA A C4  1 ? 
HETATM 1608 O O4  . TLA B 2 .   ? 10.465  -17.462 -24.670 1.000 16.646 0 301 TLA A O4  1 ? 
HETATM 1609 O O41 . TLA B 2 .   ? 9.091   -16.940 -26.338 1.000 17.468 0 301 TLA A O41 1 ? 
HETATM 1610 O O   . HOH C 3 .   ? -11.497 -27.808 5.835   1.000 42.961 0 401 HOH A O   1 ? 
HETATM 1611 O O   . HOH C 3 .   ? -6.459  -31.505 9.397   1.000 45.890 0 402 HOH A O   1 ? 
HETATM 1612 O O   . HOH C 3 .   ? -2.681  -1.897  -4.015  1.000 63.583 0 403 HOH A O   1 ? 
HETATM 1613 O O   . HOH C 3 .   ? -8.020  -16.632 -12.485 1.000 31.797 0 404 HOH A O   1 ? 
HETATM 1614 O O   . HOH C 3 .   ? 9.950   -29.547 -3.035  1.000 34.541 0 405 HOH A O   1 ? 
HETATM 1615 O O   . HOH C 3 .   ? 11.962  -10.102 -24.367 1.000 50.665 0 406 HOH A O   1 ? 
HETATM 1616 O O   . HOH C 3 .   ? 22.337  -26.474 -7.851  1.000 51.779 0 407 HOH A O   1 ? 
HETATM 1617 O O   . HOH C 3 .   ? -1.861  -9.889  11.974  1.000 39.315 0 408 HOH A O   1 ? 
HETATM 1618 O O   . HOH C 3 .   ? -5.697  -7.225  7.040   1.000 42.912 0 409 HOH A O   1 ? 
HETATM 1619 O O   . HOH C 3 .   ? -7.825  -15.850 17.107  1.000 19.813 0 410 HOH A O   1 ? 
HETATM 1620 O O   . HOH C 3 .   ? 20.560  -6.577  1.854   1.000 42.742 0 411 HOH A O   1 ? 
HETATM 1621 O O   . HOH C 3 .   ? 1.808   -34.975 2.464   1.000 45.596 0 412 HOH A O   1 ? 
HETATM 1622 O O   . HOH C 3 .   ? 6.938   -16.801 8.404   1.000 46.994 0 413 HOH A O   1 ? 
HETATM 1623 O O   . HOH C 3 .   ? 19.908  -27.697 -0.572  1.000 38.900 0 414 HOH A O   1 ? 
HETATM 1624 O O   . HOH C 3 .   ? -3.989  -4.975  -5.626  1.000 37.886 0 415 HOH A O   1 ? 
HETATM 1625 O O   . HOH C 3 .   ? 17.225  -7.254  -17.208 1.000 48.585 0 416 HOH A O   1 ? 
HETATM 1626 O O   . HOH C 3 .   ? -9.205  -18.981 -15.317 1.000 51.460 0 417 HOH A O   1 ? 
HETATM 1627 O O   . HOH C 3 .   ? 25.224  -21.322 -6.883  1.000 33.449 0 418 HOH A O   1 ? 
HETATM 1628 O O   . HOH C 3 .   ? -16.265 -20.861 9.280   1.000 28.749 0 419 HOH A O   1 ? 
HETATM 1629 O O   . HOH C 3 .   ? 23.275  -15.559 6.231   1.000 39.513 0 420 HOH A O   1 ? 
HETATM 1630 O O   . HOH C 3 .   ? 20.418  -4.477  -3.325  1.000 42.921 0 421 HOH A O   1 ? 
HETATM 1631 O O   . HOH C 3 .   ? 13.246  -1.872  -11.613 1.000 44.540 0 422 HOH A O   1 ? 
HETATM 1632 O O   . HOH C 3 .   ? -5.468  -9.925  -21.405 1.000 50.457 0 423 HOH A O   1 ? 
HETATM 1633 O O   . HOH C 3 .   ? 7.004   -32.209 -1.750  1.000 52.568 0 424 HOH A O   1 ? 
HETATM 1634 O O   . HOH C 3 .   ? -2.994  -24.835 -13.004 1.000 31.923 0 425 HOH A O   1 ? 
HETATM 1635 O O   . HOH C 3 .   ? -2.853  -23.468 -24.633 1.000 45.632 0 426 HOH A O   1 ? 
HETATM 1636 O O   . HOH C 3 .   ? -7.407  -27.471 -10.759 1.000 53.680 0 427 HOH A O   1 ? 
HETATM 1637 O O   . HOH C 3 .   ? -0.061  -12.356 9.104   1.000 40.415 0 428 HOH A O   1 ? 
HETATM 1638 O O   . HOH C 3 .   ? 3.305   -0.535  -18.324 1.000 52.340 0 429 HOH A O   1 ? 
HETATM 1639 O O   . HOH C 3 .   ? -1.478  -14.857 16.977  1.000 28.303 0 430 HOH A O   1 ? 
HETATM 1640 O O   . HOH C 3 .   ? 17.911  -22.861 4.982   1.000 45.849 0 431 HOH A O   1 ? 
HETATM 1641 O O   . HOH C 3 .   ? 12.693  -7.386  -18.419 1.000 45.250 0 432 HOH A O   1 ? 
HETATM 1642 O O   . HOH C 3 .   ? 5.123   -19.872 -26.668 1.000 19.975 0 433 HOH A O   1 ? 
HETATM 1643 O O   . HOH C 3 .   ? 8.011   -27.454 7.447   1.000 31.449 0 434 HOH A O   1 ? 
HETATM 1644 O O   . HOH C 3 .   ? -15.452 -14.625 -15.432 1.000 54.807 0 435 HOH A O   1 ? 
HETATM 1645 O O   . HOH C 3 .   ? -5.000  -21.952 -22.932 1.000 58.373 0 436 HOH A O   1 ? 
HETATM 1646 O O   . HOH C 3 .   ? 7.377   -15.539 -27.961 1.000 19.080 0 437 HOH A O   1 ? 
HETATM 1647 O O   . HOH C 3 .   ? 3.882   -26.669 12.813  1.000 45.797 0 438 HOH A O   1 ? 
HETATM 1648 O O   . HOH C 3 .   ? 21.781  -14.450 -6.043  1.000 23.498 0 439 HOH A O   1 ? 
HETATM 1649 O O   . HOH C 3 .   ? 0.227   -26.543 8.857   1.000 20.356 0 440 HOH A O   1 ? 
HETATM 1650 O O   . HOH C 3 .   ? -4.381  -26.324 -8.666  1.000 26.974 0 441 HOH A O   1 ? 
HETATM 1651 O O   . HOH C 3 .   ? 17.204  -4.477  -4.404  1.000 51.346 0 442 HOH A O   1 ? 
HETATM 1652 O O   . HOH C 3 .   ? 4.929   -15.639 2.728   1.000 25.546 0 443 HOH A O   1 ? 
HETATM 1653 O O   . HOH C 3 .   ? 12.275  -23.999 -11.971 1.000 18.924 0 444 HOH A O   1 ? 
HETATM 1654 O O   . HOH C 3 .   ? -1.802  -20.919 4.321   1.000 22.930 0 445 HOH A O   1 ? 
HETATM 1655 O O   . HOH C 3 .   ? 12.225  -5.566  0.553   1.000 42.940 0 446 HOH A O   1 ? 
HETATM 1656 O O   . HOH C 3 .   ? 7.553   -24.379 5.939   1.000 36.670 0 447 HOH A O   1 ? 
HETATM 1657 O O   . HOH C 3 .   ? -7.504  0.874   -15.471 1.000 43.033 0 448 HOH A O   1 ? 
HETATM 1658 O O   . HOH C 3 .   ? 10.237  -23.633 0.640   1.000 21.210 0 449 HOH A O   1 ? 
HETATM 1659 O O   . HOH C 3 .   ? 16.944  -5.470  -8.232  1.000 41.673 0 450 HOH A O   1 ? 
HETATM 1660 O O   . HOH C 3 .   ? 3.420   -23.032 15.754  1.000 32.926 0 451 HOH A O   1 ? 
HETATM 1661 O O   . HOH C 3 .   ? 8.338   -19.880 10.288  1.000 30.459 0 452 HOH A O   1 ? 
HETATM 1662 O O   . HOH C 3 .   ? 12.523  -28.752 -7.369  1.000 37.780 0 453 HOH A O   1 ? 
HETATM 1663 O O   . HOH C 3 .   ? 22.853  -11.845 -6.120  1.000 24.960 0 454 HOH A O   1 ? 
HETATM 1664 O O   . HOH C 3 .   ? 10.745  -20.026 -23.741 1.000 15.395 0 455 HOH A O   1 ? 
HETATM 1665 O O   . HOH C 3 .   ? -7.210  -12.368 -19.658 1.000 31.063 0 456 HOH A O   1 ? 
HETATM 1666 O O   . HOH C 3 .   ? -4.767  -16.458 -17.101 1.000 22.026 0 457 HOH A O   1 ? 
HETATM 1667 O O   . HOH C 3 .   ? -8.482  -31.699 13.373  1.000 43.332 0 458 HOH A O   1 ? 
HETATM 1668 O O   . HOH C 3 .   ? 11.784  -25.998 -15.216 1.000 38.470 0 459 HOH A O   1 ? 
HETATM 1669 O O   . HOH C 3 .   ? 6.939   -5.371  -19.035 1.000 31.661 0 460 HOH A O   1 ? 
HETATM 1670 O O   . HOH C 3 .   ? 0.933   -11.816 -2.500  1.000 23.878 0 461 HOH A O   1 ? 
HETATM 1671 O O   . HOH C 3 .   ? 1.906   -17.322 -8.209  1.000 15.758 0 462 HOH A O   1 ? 
HETATM 1672 O O   . HOH C 3 .   ? -1.755  -27.371 -9.435  1.000 32.970 0 463 HOH A O   1 ? 
HETATM 1673 O O   . HOH C 3 .   ? -3.451  -21.177 9.878   1.000 17.412 0 464 HOH A O   1 ? 
HETATM 1674 O O   . HOH C 3 .   ? 24.572  -7.803  0.765   1.000 38.782 0 465 HOH A O   1 ? 
HETATM 1675 O O   . HOH C 3 .   ? 3.939   -12.227 -24.160 1.000 30.520 0 466 HOH A O   1 ? 
HETATM 1676 O O   . HOH C 3 .   ? -5.191  -16.524 18.757  1.000 24.726 0 467 HOH A O   1 ? 
HETATM 1677 O O   . HOH C 3 .   ? 5.809   -29.339 -1.614  1.000 22.608 0 468 HOH A O   1 ? 
HETATM 1678 O O   . HOH C 3 .   ? -1.459  1.234   -8.296  1.000 44.015 0 469 HOH A O   1 ? 
HETATM 1679 O O   . HOH C 3 .   ? -3.254  -27.153 16.159  1.000 22.650 0 470 HOH A O   1 ? 
HETATM 1680 O O   . HOH C 3 .   ? -1.002  -7.987  -21.293 1.000 35.284 0 471 HOH A O   1 ? 
HETATM 1681 O O   . HOH C 3 .   ? -6.738  -0.425  -12.866 1.000 34.882 0 472 HOH A O   1 ? 
HETATM 1682 O O   . HOH C 3 .   ? 21.478  -21.913 6.669   1.000 49.803 0 473 HOH A O   1 ? 
HETATM 1683 O O   . HOH C 3 .   ? 16.933  -20.643 -21.402 1.000 21.220 0 474 HOH A O   1 ? 
HETATM 1684 O O   . HOH C 3 .   ? 1.478   -17.540 -0.578  1.000 15.448 0 475 HOH A O   1 ? 
HETATM 1685 O O   . HOH C 3 .   ? 17.377  -25.800 -12.346 1.000 43.952 0 476 HOH A O   1 ? 
HETATM 1686 O O   . HOH C 3 .   ? -7.249  -11.829 -5.893  1.000 23.174 0 477 HOH A O   1 ? 
HETATM 1687 O O   . HOH C 3 .   ? 10.793  -1.063  -13.505 1.000 52.876 0 478 HOH A O   1 ? 
HETATM 1688 O O   . HOH C 3 .   ? 14.838  -16.491 -21.297 1.000 40.026 0 479 HOH A O   1 ? 
HETATM 1689 O O   . HOH C 3 .   ? -15.709 -18.378 3.011   1.000 36.445 0 480 HOH A O   1 ? 
HETATM 1690 O O   . HOH C 3 .   ? 10.540  -12.449 0.204   1.000 24.199 0 481 HOH A O   1 ? 
HETATM 1691 O O   . HOH C 3 .   ? -6.780  -30.300 7.120   1.000 25.810 0 482 HOH A O   1 ? 
HETATM 1692 O O   . HOH C 3 .   ? 14.224  -2.520  -7.041  1.000 55.500 0 483 HOH A O   1 ? 
HETATM 1693 O O   . HOH C 3 .   ? -14.105 -25.415 6.769   1.000 39.405 0 484 HOH A O   1 ? 
HETATM 1694 O O   . HOH C 3 .   ? 3.037   -32.546 4.978   1.000 35.529 0 485 HOH A O   1 ? 
HETATM 1695 O O   . HOH C 3 .   ? -0.376  -17.341 8.613   1.000 38.808 0 486 HOH A O   1 ? 
HETATM 1696 O O   . HOH C 3 .   ? 2.289   -28.250 -12.689 1.000 27.442 0 487 HOH A O   1 ? 
HETATM 1697 O O   . HOH C 3 .   ? 24.573  -14.180 -9.848  1.000 37.119 0 488 HOH A O   1 ? 
HETATM 1698 O O   . HOH C 3 .   ? 2.043   -2.169  -8.155  1.000 25.864 0 489 HOH A O   1 ? 
HETATM 1699 O O   . HOH C 3 .   ? -0.467  -8.619  -0.528  1.000 45.434 0 490 HOH A O   1 ? 
HETATM 1700 O O   . HOH C 3 .   ? -1.793  -6.208  -11.457 1.000 19.194 0 491 HOH A O   1 ? 
HETATM 1701 O O   . HOH C 3 .   ? -0.232  -18.189 10.613  1.000 32.612 0 492 HOH A O   1 ? 
HETATM 1702 O O   . HOH C 3 .   ? -8.619  -13.150 -1.959  1.000 33.513 0 493 HOH A O   1 ? 
HETATM 1703 O O   . HOH C 3 .   ? -9.317  -14.710 -6.883  1.000 30.760 0 494 HOH A O   1 ? 
HETATM 1704 O O   . HOH C 3 .   ? 29.092  -12.915 -4.370  1.000 43.622 0 495 HOH A O   1 ? 
HETATM 1705 O O   . HOH C 3 .   ? 0.895   -33.788 -2.781  1.000 41.143 0 496 HOH A O   1 ? 
HETATM 1706 O O   . HOH C 3 .   ? -9.981  -30.158 1.251   1.000 37.532 0 497 HOH A O   1 ? 
HETATM 1707 O O   . HOH C 3 .   ? 24.254  -11.691 -8.460  1.000 31.998 0 498 HOH A O   1 ? 
HETATM 1708 O O   . HOH C 3 .   ? 29.106  -17.075 -2.903  1.000 46.363 0 499 HOH A O   1 ? 
HETATM 1709 O O   . HOH C 3 .   ? -0.817  -18.765 -23.755 1.000 26.567 0 500 HOH A O   1 ? 
HETATM 1710 O O   . HOH C 3 .   ? -4.317  -23.314 16.003  1.000 19.227 0 501 HOH A O   1 ? 
HETATM 1711 O O   . HOH C 3 .   ? 4.928   -30.448 -5.252  1.000 32.221 0 502 HOH A O   1 ? 
HETATM 1712 O O   . HOH C 3 .   ? -1.908  -20.244 12.133  1.000 17.087 0 503 HOH A O   1 ? 
HETATM 1713 O O   . HOH C 3 .   ? 7.044   -11.821 3.695   1.000 47.427 0 504 HOH A O   1 ? 
HETATM 1714 O O   . HOH C 3 .   ? 12.875  -13.616 1.695   1.000 33.056 0 505 HOH A O   1 ? 
HETATM 1715 O O   . HOH C 3 .   ? -11.141 -21.454 -6.899  1.000 37.880 0 506 HOH A O   1 ? 
HETATM 1716 O O   . HOH C 3 .   ? -12.626 -28.650 -3.579  1.000 35.152 0 507 HOH A O   1 ? 
HETATM 1717 O O   . HOH C 3 .   ? -13.633 -14.477 11.478  1.000 32.619 0 508 HOH A O   1 ? 
HETATM 1718 O O   . HOH C 3 .   ? -7.146  -3.211  -10.498 1.000 36.764 0 509 HOH A O   1 ? 
HETATM 1719 O O   . HOH C 3 .   ? -12.747 -17.765 0.292   1.000 28.780 0 510 HOH A O   1 ? 
HETATM 1720 O O   . HOH C 3 .   ? -2.561  -33.064 -6.441  1.000 37.123 0 511 HOH A O   1 ? 
HETATM 1721 O O   . HOH C 3 .   ? -10.167 -6.225  7.859   1.000 19.986 0 512 HOH A O   1 ? 
HETATM 1722 O O   . HOH C 3 .   ? -1.879  -14.293 5.049   1.000 28.834 0 513 HOH A O   1 ? 
HETATM 1723 O O   . HOH C 3 .   ? 13.644  -16.567 1.491   1.000 28.817 0 514 HOH A O   1 ? 
HETATM 1724 O O   . HOH C 3 .   ? 2.484   -28.112 -17.306 1.000 37.674 0 515 HOH A O   1 ? 
HETATM 1725 O O   . HOH C 3 .   ? -3.409  -18.915 7.954   1.000 29.622 0 516 HOH A O   1 ? 
HETATM 1726 O O   . HOH C 3 .   ? 2.987   -10.698 -3.990  1.000 24.647 0 517 HOH A O   1 ? 
HETATM 1727 O O   . HOH C 3 .   ? -0.767  -31.663 7.156   1.000 30.815 0 518 HOH A O   1 ? 
HETATM 1728 O O   . HOH C 3 .   ? -1.608  -18.236 6.138   1.000 28.815 0 519 HOH A O   1 ? 
HETATM 1729 O O   . HOH C 3 .   ? 19.018  -18.246 -14.159 1.000 28.379 0 520 HOH A O   1 ? 
HETATM 1730 O O   . HOH C 3 .   ? 19.367  -25.625 2.968   1.000 43.142 0 521 HOH A O   1 ? 
HETATM 1731 O O   . HOH C 3 .   ? -7.691  -11.150 -1.532  1.000 43.115 0 522 HOH A O   1 ? 
HETATM 1732 O O   . HOH C 3 .   ? 11.027  -9.218  -21.862 1.000 37.571 0 523 HOH A O   1 ? 
HETATM 1733 O O   . HOH C 3 .   ? -2.450  -20.607 7.337   1.000 33.899 0 524 HOH A O   1 ? 
HETATM 1734 O O   . HOH C 3 .   ? 13.813  -12.032 -21.320 1.000 35.134 0 525 HOH A O   1 ? 
HETATM 1735 O O   . HOH C 3 .   ? -11.154 -31.707 -1.428  1.000 26.427 0 526 HOH A O   1 ? 
HETATM 1736 O O   . HOH C 3 .   ? 0.223   -30.168 12.125  1.000 47.971 0 527 HOH A O   1 ? 
HETATM 1737 O O   . HOH C 3 .   ? -14.593 -25.385 4.017   1.000 29.319 0 528 HOH A O   1 ? 
HETATM 1738 O O   . HOH C 3 .   ? -5.066  -31.971 5.751   1.000 34.417 0 529 HOH A O   1 ? 
HETATM 1739 O O   . HOH C 3 .   ? 3.780   -7.797  -21.270 1.000 24.707 0 530 HOH A O   1 ? 
HETATM 1740 O O   . HOH C 3 .   ? 9.676   0.514   -8.851  1.000 34.588 0 531 HOH A O   1 ? 
HETATM 1741 O O   . HOH C 3 .   ? -12.040 -16.213 -15.618 1.000 46.961 0 532 HOH A O   1 ? 
HETATM 1742 O O   . HOH C 3 .   ? 2.219   -25.559 2.220   1.000 17.584 0 533 HOH A O   1 ? 
HETATM 1743 O O   . HOH C 3 .   ? -9.761  -10.319 14.610  1.000 26.099 0 534 HOH A O   1 ? 
HETATM 1744 O O   . HOH C 3 .   ? -4.325  -21.127 5.633   1.000 19.138 0 535 HOH A O   1 ? 
HETATM 1745 O O   . HOH C 3 .   ? 9.247   -9.064  1.666   1.000 40.325 0 536 HOH A O   1 ? 
HETATM 1746 O O   . HOH C 3 .   ? -4.701  -3.271  -24.527 1.000 64.965 0 537 HOH A O   1 ? 
HETATM 1747 O O   . HOH C 3 .   ? 7.771   -30.514 5.622   1.000 57.567 0 538 HOH A O   1 ? 
HETATM 1748 O O   . HOH C 3 .   ? 26.767  -10.764 -7.548  1.000 48.554 0 539 HOH A O   1 ? 
HETATM 1749 O O   . HOH C 3 .   ? -4.021  -23.980 -10.467 1.000 35.871 0 540 HOH A O   1 ? 
HETATM 1750 O O   . HOH C 3 .   ? -1.520  -25.877 -17.337 1.000 28.286 0 541 HOH A O   1 ? 
HETATM 1751 O O   . HOH C 3 .   ? 27.117  -12.931 -0.999  1.000 38.756 0 542 HOH A O   1 ? 
HETATM 1752 O O   . HOH C 3 .   ? 3.554   -4.241  -1.136  1.000 32.276 0 543 HOH A O   1 ? 
HETATM 1753 O O   . HOH C 3 .   ? 2.309   -0.862  -15.499 1.000 29.424 0 544 HOH A O   1 ? 
HETATM 1754 O O   . HOH C 3 .   ? 4.113   -3.063  -22.083 1.000 72.064 0 545 HOH A O   1 ? 
HETATM 1755 O O   . HOH C 3 .   ? 8.033   -31.999 -15.930 1.000 59.232 0 546 HOH A O   1 ? 
HETATM 1756 O O   . HOH C 3 .   ? -4.167  -10.171 5.983   1.000 45.838 0 547 HOH A O   1 ? 
HETATM 1757 O O   . HOH C 3 .   ? -5.880  -34.836 -1.718  1.000 59.722 0 548 HOH A O   1 ? 
HETATM 1758 O O   . HOH C 3 .   ? 3.781   -29.905 -19.222 1.000 54.715 0 549 HOH A O   1 ? 
HETATM 1759 O O   . HOH C 3 .   ? 16.622  -4.925  -0.558  1.000 38.733 0 550 HOH A O   1 ? 
HETATM 1760 O O   . HOH C 3 .   ? -4.861  -18.125 -21.579 1.000 31.672 0 551 HOH A O   1 ? 
HETATM 1761 O O   . HOH C 3 .   ? -3.476  -10.501 -23.346 1.000 48.541 0 552 HOH A O   1 ? 
HETATM 1762 O O   . HOH C 3 .   ? -14.558 -28.692 1.272   1.000 40.652 0 553 HOH A O   1 ? 
HETATM 1763 O O   . HOH C 3 .   ? -11.124 -14.134 -2.802  1.000 40.030 0 554 HOH A O   1 ? 
HETATM 1764 O O   . HOH C 3 .   ? -9.115  -27.635 5.606   1.000 38.237 0 555 HOH A O   1 ? 
HETATM 1765 O O   . HOH C 3 .   ? 6.594   -11.902 -26.374 1.000 45.016 0 556 HOH A O   1 ? 
HETATM 1766 O O   . HOH C 3 .   ? -11.879 -25.323 10.244  1.000 23.339 0 557 HOH A O   1 ? 
HETATM 1767 O O   . HOH C 3 .   ? -6.432  -18.486 -16.328 1.000 35.263 0 558 HOH A O   1 ? 
HETATM 1768 O O   . HOH C 3 .   ? -3.243  -15.308 20.163  1.000 46.133 0 559 HOH A O   1 ? 
HETATM 1769 O O   . HOH C 3 .   ? 25.488  -3.699  -7.414  1.000 45.640 0 560 HOH A O   1 ? 
HETATM 1770 O O   . HOH C 3 .   ? 7.479   -31.213 -4.288  1.000 46.748 0 561 HOH A O   1 ? 
HETATM 1771 O O   . HOH C 3 .   ? 14.504  -25.385 -13.262 1.000 33.216 0 562 HOH A O   1 ? 
HETATM 1772 O O   . HOH C 3 .   ? 8.200   -13.869 4.097   1.000 56.256 0 563 HOH A O   1 ? 
HETATM 1773 O O   . HOH C 3 .   ? 4.762   -9.793  -23.674 1.000 43.048 0 564 HOH A O   1 ? 
HETATM 1774 O O   . HOH C 3 .   ? 7.597   -8.860  -24.153 1.000 56.606 0 565 HOH A O   1 ? 
HETATM 1775 O O   . HOH C 3 .   ? 5.872   -23.048 16.381  1.000 57.784 0 566 HOH A O   1 ? 
HETATM 1776 O O   . HOH C 3 .   ? 9.855   -6.638  -20.005 1.000 49.915 0 567 HOH A O   1 ? 
HETATM 1777 O O   . HOH C 3 .   ? -5.920  -15.763 -19.674 1.000 39.983 0 568 HOH A O   1 ? 
HETATM 1778 O O   . HOH C 3 .   ? 22.828  -6.958  -16.597 1.000 58.707 0 569 HOH A O   1 ? 
HETATM 1779 O O   . HOH C 3 .   ? -0.584  -14.711 7.627   1.000 48.005 0 570 HOH A O   1 ? 
HETATM 1780 O O   . HOH C 3 .   ? 3.800   -13.298 2.778   1.000 52.382 0 571 HOH A O   1 ? 
HETATM 1781 O O   . HOH C 3 .   ? 1.082   0.272   -7.082  1.000 37.359 0 572 HOH A O   1 ? 
HETATM 1782 O O   . HOH C 3 .   ? 5.463   -5.556  -21.296 1.000 43.182 0 573 HOH A O   1 ? 
HETATM 1783 O O   . HOH C 3 .   ? 18.012  -3.545  -2.184  1.000 52.289 0 574 HOH A O   1 ? 
HETATM 1784 O O   . HOH C 3 .   ? -7.341  -0.980  -9.057  1.000 56.635 0 575 HOH A O   1 ? 
HETATM 1785 O O   . HOH C 3 .   ? -16.200 -15.877 -2.033  1.000 55.343 0 576 HOH A O   1 ? 
HETATM 1786 O O   . HOH C 3 .   ? -3.214  -36.030 -2.503  1.000 51.941 0 577 HOH A O   1 ? 
HETATM 1787 O O   . HOH C 3 .   ? -6.705  -23.182 -11.342 1.000 49.472 0 578 HOH A O   1 ? 
HETATM 1788 O O   . HOH C 3 .   ? 3.409   -11.058 1.645   1.000 50.280 0 579 HOH A O   1 ? 
HETATM 1789 O O   . HOH C 3 .   ? 2.644   -10.813 -0.546  1.000 44.049 0 580 HOH A O   1 ? 
HETATM 1790 O O   . HOH C 3 .   ? -17.663 -25.888 4.334   1.000 53.674 0 581 HOH A O   1 ? 
HETATM 1791 O O   . HOH C 3 .   ? 1.342   -28.647 10.130  1.000 32.794 0 582 HOH A O   1 ? 
HETATM 1792 O O   . HOH C 3 .   ? 1.039   -30.920 8.929   1.000 47.758 0 583 HOH A O   1 ? 
# 
