data_9HMT
# 
_entry.id   9HMT 
# 
_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   9HMT         pdb_00009hmt 10.2210/pdb9hmt/pdb 
WWPDB D_1292143854 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-05-14 
_pdbx_audit_revision_history.part_number         ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9HMT 
_pdbx_database_status.recvd_initial_deposition_date   2024-12-09 
_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           N 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              mark.montgomery@syngenta.com 
_pdbx_contact_author.name_first         Mark 
_pdbx_contact_author.name_last          Montgomery 
_pdbx_contact_author.name_mi            G 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-9174-8281 
# 
_audit_author.name               'Montgomery, M.G.' 
_audit_author.pdbx_ordinal       1 
_audit_author.identifier_ORCID   ? 
# 
_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                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     
'Crystal structure of Arabidopsis thaliana Acyl-ACP Thioesterase (At-FatA) complexed with methiozolin-fluorine' 
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
_citation_author.citation_id        primary 
_citation_author.name               'Montgomery, M.G.' 
_citation_author.ordinal            1 
_citation_author.identifier_ORCID   ? 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'Oleoyl-acyl carrier protein thioesterase 1, chloroplastic'                                         33615.598 1 
3.1.2.14 ? ? ? 
2 non-polymer syn '(5~{S})-5-[[2,6-bis(fluoranyl)phenyl]methoxymethyl]-3-(2-fluorophenyl)-5-methyl-4~{H}-1,2-oxazole' 335.320   1 
?        ? ? ? 
3 non-polymer syn GLYCEROL                                                                                            92.094    1 
?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                                                                                       96.063    1 
?        ? ? ? 
5 water       nat water                                                                                               18.015    
169 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        '18:0-acyl-carrier protein thioesterase,18:0-ACP thioesterase,Acyl-[acyl-carrier-protein] hydrolase' 
# 
_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       
;MGSLTEDGLSYKEKFVVRSYEVGSNKTATVETIANLLQEVGCNHAQSVGFSTDGFATTTTMRKLHLIWVTARMHIEIYKY
PAWGDVVEIETWCQSEGRIGTRRDWILKDSVTGEVTGRATSKWVMMNQDTRRLQKVSDDVRDEYLVFCPQEPRLAFPEEN
NRSLKKIPKLEDPAQYSMIGLKPRRADLDMNQHVNNVTYIGWVLESIPQEIVDTHELQVITLDYRRECQQDDVVDSLTTT
TSEIGGTNGSATSGTQGHNDSQFLHLLRLSGDGQEINRGTTLWRKKPSSHHHHHH
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MGSLTEDGLSYKEKFVVRSYEVGSNKTATVETIANLLQEVGCNHAQSVGFSTDGFATTTTMRKLHLIWVTARMHIEIYKY
PAWGDVVEIETWCQSEGRIGTRRDWILKDSVTGEVTGRATSKWVMMNQDTRRLQKVSDDVRDEYLVFCPQEPRLAFPEEN
NRSLKKIPKLEDPAQYSMIGLKPRRADLDMNQHVNNVTYIGWVLESIPQEIVDTHELQVITLDYRRECQQDDVVDSLTTT
TSEIGGTNGSATSGTQGHNDSQFLHLLRLSGDGQEINRGTTLWRKKPSSHHHHHH
;
_entity_poly.pdbx_strand_id                 AaA 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 '(5~{S})-5-[[2,6-bis(fluoranyl)phenyl]methoxymethyl]-3-(2-fluorophenyl)-5-methyl-4~{H}-1,2-oxazole' A1IWF 
3 GLYCEROL                                                                                            GOL   
4 'SULFATE ION'                                                                                       SO4   
5 water                                                                                               HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   GLY n 
1 3   SER n 
1 4   LEU n 
1 5   THR n 
1 6   GLU n 
1 7   ASP n 
1 8   GLY n 
1 9   LEU n 
1 10  SER n 
1 11  TYR n 
1 12  LYS n 
1 13  GLU n 
1 14  LYS n 
1 15  PHE n 
1 16  VAL n 
1 17  VAL n 
1 18  ARG n 
1 19  SER n 
1 20  TYR n 
1 21  GLU n 
1 22  VAL n 
1 23  GLY n 
1 24  SER n 
1 25  ASN n 
1 26  LYS n 
1 27  THR n 
1 28  ALA n 
1 29  THR n 
1 30  VAL n 
1 31  GLU n 
1 32  THR n 
1 33  ILE n 
1 34  ALA n 
1 35  ASN n 
1 36  LEU n 
1 37  LEU n 
1 38  GLN n 
1 39  GLU n 
1 40  VAL n 
1 41  GLY n 
1 42  CYS n 
1 43  ASN n 
1 44  HIS n 
1 45  ALA n 
1 46  GLN n 
1 47  SER n 
1 48  VAL n 
1 49  GLY n 
1 50  PHE n 
1 51  SER n 
1 52  THR n 
1 53  ASP n 
1 54  GLY n 
1 55  PHE n 
1 56  ALA n 
1 57  THR n 
1 58  THR n 
1 59  THR n 
1 60  THR n 
1 61  MET n 
1 62  ARG n 
1 63  LYS n 
1 64  LEU n 
1 65  HIS n 
1 66  LEU n 
1 67  ILE n 
1 68  TRP n 
1 69  VAL n 
1 70  THR n 
1 71  ALA n 
1 72  ARG n 
1 73  MET n 
1 74  HIS n 
1 75  ILE n 
1 76  GLU n 
1 77  ILE n 
1 78  TYR n 
1 79  LYS n 
1 80  TYR n 
1 81  PRO n 
1 82  ALA n 
1 83  TRP n 
1 84  GLY n 
1 85  ASP n 
1 86  VAL n 
1 87  VAL n 
1 88  GLU n 
1 89  ILE n 
1 90  GLU n 
1 91  THR n 
1 92  TRP n 
1 93  CYS n 
1 94  GLN n 
1 95  SER n 
1 96  GLU n 
1 97  GLY n 
1 98  ARG n 
1 99  ILE n 
1 100 GLY n 
1 101 THR n 
1 102 ARG n 
1 103 ARG n 
1 104 ASP n 
1 105 TRP n 
1 106 ILE n 
1 107 LEU n 
1 108 LYS n 
1 109 ASP n 
1 110 SER n 
1 111 VAL n 
1 112 THR n 
1 113 GLY n 
1 114 GLU n 
1 115 VAL n 
1 116 THR n 
1 117 GLY n 
1 118 ARG n 
1 119 ALA n 
1 120 THR n 
1 121 SER n 
1 122 LYS n 
1 123 TRP n 
1 124 VAL n 
1 125 MET n 
1 126 MET n 
1 127 ASN n 
1 128 GLN n 
1 129 ASP n 
1 130 THR n 
1 131 ARG n 
1 132 ARG n 
1 133 LEU n 
1 134 GLN n 
1 135 LYS n 
1 136 VAL n 
1 137 SER n 
1 138 ASP n 
1 139 ASP n 
1 140 VAL n 
1 141 ARG n 
1 142 ASP n 
1 143 GLU n 
1 144 TYR n 
1 145 LEU n 
1 146 VAL n 
1 147 PHE n 
1 148 CYS n 
1 149 PRO n 
1 150 GLN n 
1 151 GLU n 
1 152 PRO n 
1 153 ARG n 
1 154 LEU n 
1 155 ALA n 
1 156 PHE n 
1 157 PRO n 
1 158 GLU n 
1 159 GLU n 
1 160 ASN n 
1 161 ASN n 
1 162 ARG n 
1 163 SER n 
1 164 LEU n 
1 165 LYS n 
1 166 LYS n 
1 167 ILE n 
1 168 PRO n 
1 169 LYS n 
1 170 LEU n 
1 171 GLU n 
1 172 ASP n 
1 173 PRO n 
1 174 ALA n 
1 175 GLN n 
1 176 TYR n 
1 177 SER n 
1 178 MET n 
1 179 ILE n 
1 180 GLY n 
1 181 LEU n 
1 182 LYS n 
1 183 PRO n 
1 184 ARG n 
1 185 ARG n 
1 186 ALA n 
1 187 ASP n 
1 188 LEU n 
1 189 ASP n 
1 190 MET n 
1 191 ASN n 
1 192 GLN n 
1 193 HIS n 
1 194 VAL n 
1 195 ASN n 
1 196 ASN n 
1 197 VAL n 
1 198 THR n 
1 199 TYR n 
1 200 ILE n 
1 201 GLY n 
1 202 TRP n 
1 203 VAL n 
1 204 LEU n 
1 205 GLU n 
1 206 SER n 
1 207 ILE n 
1 208 PRO n 
1 209 GLN n 
1 210 GLU n 
1 211 ILE n 
1 212 VAL n 
1 213 ASP n 
1 214 THR n 
1 215 HIS n 
1 216 GLU n 
1 217 LEU n 
1 218 GLN n 
1 219 VAL n 
1 220 ILE n 
1 221 THR n 
1 222 LEU n 
1 223 ASP n 
1 224 TYR n 
1 225 ARG n 
1 226 ARG n 
1 227 GLU n 
1 228 CYS n 
1 229 GLN n 
1 230 GLN n 
1 231 ASP n 
1 232 ASP n 
1 233 VAL n 
1 234 VAL n 
1 235 ASP n 
1 236 SER n 
1 237 LEU n 
1 238 THR n 
1 239 THR n 
1 240 THR n 
1 241 THR n 
1 242 SER n 
1 243 GLU n 
1 244 ILE n 
1 245 GLY n 
1 246 GLY n 
1 247 THR n 
1 248 ASN n 
1 249 GLY n 
1 250 SER n 
1 251 ALA n 
1 252 THR n 
1 253 SER n 
1 254 GLY n 
1 255 THR n 
1 256 GLN n 
1 257 GLY n 
1 258 HIS n 
1 259 ASN n 
1 260 ASP n 
1 261 SER n 
1 262 GLN n 
1 263 PHE n 
1 264 LEU n 
1 265 HIS n 
1 266 LEU n 
1 267 LEU n 
1 268 ARG n 
1 269 LEU n 
1 270 SER n 
1 271 GLY n 
1 272 ASP n 
1 273 GLY n 
1 274 GLN n 
1 275 GLU n 
1 276 ILE n 
1 277 ASN n 
1 278 ARG n 
1 279 GLY n 
1 280 THR n 
1 281 THR n 
1 282 LEU n 
1 283 TRP n 
1 284 ARG n 
1 285 LYS n 
1 286 LYS n 
1 287 PRO n 
1 288 SER n 
1 289 SER n 
1 290 HIS n 
1 291 HIS n 
1 292 HIS n 
1 293 HIS n 
1 294 HIS n 
1 295 HIS n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   295 
_entity_src_gen.gene_src_common_name               'thale cress' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'FATA, FATA1, At3g25110, MJL12.5' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Arabidopsis thaliana' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     3702 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
A1IWF non-polymer         . '(5~{S})-5-[[2,6-bis(fluoranyl)phenyl]methoxymethyl]-3-(2-fluorophenyl)-5-methyl-4~{H}-1,2-oxazole' ? 
'C18 H16 F3 N O2' 335.320 
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  
GOL   non-polymer         . GLYCEROL                                                                                            
'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3'        92.094  
HIS   'L-peptide linking' y HISTIDINE                                                                                           ? 
'C6 H10 N3 O2 1'  156.162 
HOH   non-polymer         . WATER                                                                                               ? 
'H2 O'            18.015  
ILE   'L-peptide linking' y ISOLEUCINE                                                                                          ? 
'C6 H13 N O2'     131.173 
LEU   'L-peptide linking' y LEUCINE                                                                                             ? 
'C6 H13 N O2'     131.173 
LYS   'L-peptide linking' y LYSINE                                                                                              ? 
'C6 H15 N2 O2 1'  147.195 
MET   'L-peptide linking' y METHIONINE                                                                                          ? 
'C5 H11 N O2 S'   149.211 
PHE   'L-peptide linking' y PHENYLALANINE                                                                                       ? 
'C9 H11 N O2'     165.189 
PRO   'L-peptide linking' y PROLINE                                                                                             ? 
'C5 H9 N O2'      115.130 
SER   'L-peptide linking' y SERINE                                                                                              ? 
'C3 H7 N O3'      105.093 
SO4   non-polymer         . 'SULFATE ION'                                                                                       ? 
'O4 S -2'         96.063  
THR   'L-peptide linking' y THREONINE                                                                                           ? 
'C4 H9 N O3'      119.119 
TRP   'L-peptide linking' y TRYPTOPHAN                                                                                          ? 
'C11 H12 N2 O2'   204.225 
TYR   'L-peptide linking' y TYROSINE                                                                                            ? 
'C9 H11 N O3'     181.189 
VAL   'L-peptide linking' y VALINE                                                                                              ? 
'C5 H11 N O2'     117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   MET 1   74  ?   ?   ?   AaA . n 
A 1 2   GLY 2   75  75  GLY GLY AaA . n 
A 1 3   SER 3   76  76  SER SER AaA . n 
A 1 4   LEU 4   77  77  LEU LEU AaA . n 
A 1 5   THR 5   78  78  THR THR AaA . n 
A 1 6   GLU 6   79  79  GLU GLU AaA . n 
A 1 7   ASP 7   80  80  ASP ASP AaA . n 
A 1 8   GLY 8   81  81  GLY GLY AaA . n 
A 1 9   LEU 9   82  82  LEU LEU AaA . n 
A 1 10  SER 10  83  83  SER SER AaA . n 
A 1 11  TYR 11  84  84  TYR TYR AaA . n 
A 1 12  LYS 12  85  85  LYS LYS AaA . n 
A 1 13  GLU 13  86  86  GLU GLU AaA . n 
A 1 14  LYS 14  87  87  LYS LYS AaA . n 
A 1 15  PHE 15  88  88  PHE PHE AaA . n 
A 1 16  VAL 16  89  89  VAL VAL AaA . n 
A 1 17  VAL 17  90  90  VAL VAL AaA . n 
A 1 18  ARG 18  91  91  ARG ARG AaA . n 
A 1 19  SER 19  92  92  SER SER AaA . n 
A 1 20  TYR 20  93  93  TYR TYR AaA . n 
A 1 21  GLU 21  94  94  GLU GLU AaA . n 
A 1 22  VAL 22  95  95  VAL VAL AaA . n 
A 1 23  GLY 23  96  96  GLY GLY AaA . n 
A 1 24  SER 24  97  97  SER SER AaA . n 
A 1 25  ASN 25  98  98  ASN ASN AaA . n 
A 1 26  LYS 26  99  99  LYS LYS AaA . n 
A 1 27  THR 27  100 100 THR THR AaA . n 
A 1 28  ALA 28  101 101 ALA ALA AaA . n 
A 1 29  THR 29  102 102 THR THR AaA . n 
A 1 30  VAL 30  103 103 VAL VAL AaA . n 
A 1 31  GLU 31  104 104 GLU GLU AaA . n 
A 1 32  THR 32  105 105 THR THR AaA . n 
A 1 33  ILE 33  106 106 ILE ILE AaA . n 
A 1 34  ALA 34  107 107 ALA ALA AaA . n 
A 1 35  ASN 35  108 108 ASN ASN AaA . n 
A 1 36  LEU 36  109 109 LEU LEU AaA . n 
A 1 37  LEU 37  110 110 LEU LEU AaA . n 
A 1 38  GLN 38  111 111 GLN GLN AaA . n 
A 1 39  GLU 39  112 112 GLU GLU AaA . n 
A 1 40  VAL 40  113 113 VAL VAL AaA . n 
A 1 41  GLY 41  114 114 GLY GLY AaA . n 
A 1 42  CYS 42  115 115 CYS CYS AaA . n 
A 1 43  ASN 43  116 116 ASN ASN AaA . n 
A 1 44  HIS 44  117 117 HIS HIS AaA . n 
A 1 45  ALA 45  118 118 ALA ALA AaA . n 
A 1 46  GLN 46  119 119 GLN GLN AaA . n 
A 1 47  SER 47  120 120 SER SER AaA . n 
A 1 48  VAL 48  121 121 VAL VAL AaA . n 
A 1 49  GLY 49  122 122 GLY GLY AaA . n 
A 1 50  PHE 50  123 123 PHE PHE AaA . n 
A 1 51  SER 51  124 124 SER SER AaA . n 
A 1 52  THR 52  125 125 THR THR AaA . n 
A 1 53  ASP 53  126 126 ASP ASP AaA . n 
A 1 54  GLY 54  127 127 GLY GLY AaA . n 
A 1 55  PHE 55  128 128 PHE PHE AaA . n 
A 1 56  ALA 56  129 129 ALA ALA AaA . n 
A 1 57  THR 57  130 130 THR THR AaA . n 
A 1 58  THR 58  131 131 THR THR AaA . n 
A 1 59  THR 59  132 132 THR THR AaA . n 
A 1 60  THR 60  133 133 THR THR AaA . n 
A 1 61  MET 61  134 134 MET MET AaA . n 
A 1 62  ARG 62  135 135 ARG ARG AaA . n 
A 1 63  LYS 63  136 136 LYS LYS AaA . n 
A 1 64  LEU 64  137 137 LEU LEU AaA . n 
A 1 65  HIS 65  138 138 HIS HIS AaA . n 
A 1 66  LEU 66  139 139 LEU LEU AaA . n 
A 1 67  ILE 67  140 140 ILE ILE AaA . n 
A 1 68  TRP 68  141 141 TRP TRP AaA . n 
A 1 69  VAL 69  142 142 VAL VAL AaA . n 
A 1 70  THR 70  143 143 THR THR AaA . n 
A 1 71  ALA 71  144 144 ALA ALA AaA . n 
A 1 72  ARG 72  145 145 ARG ARG AaA . n 
A 1 73  MET 73  146 146 MET MET AaA . n 
A 1 74  HIS 74  147 147 HIS HIS AaA . n 
A 1 75  ILE 75  148 148 ILE ILE AaA . n 
A 1 76  GLU 76  149 149 GLU GLU AaA . n 
A 1 77  ILE 77  150 150 ILE ILE AaA . n 
A 1 78  TYR 78  151 151 TYR TYR AaA . n 
A 1 79  LYS 79  152 152 LYS LYS AaA . n 
A 1 80  TYR 80  153 153 TYR TYR AaA . n 
A 1 81  PRO 81  154 154 PRO PRO AaA . n 
A 1 82  ALA 82  155 155 ALA ALA AaA . n 
A 1 83  TRP 83  156 156 TRP TRP AaA . n 
A 1 84  GLY 84  157 157 GLY GLY AaA . n 
A 1 85  ASP 85  158 158 ASP ASP AaA . n 
A 1 86  VAL 86  159 159 VAL VAL AaA . n 
A 1 87  VAL 87  160 160 VAL VAL AaA . n 
A 1 88  GLU 88  161 161 GLU GLU AaA . n 
A 1 89  ILE 89  162 162 ILE ILE AaA . n 
A 1 90  GLU 90  163 163 GLU GLU AaA . n 
A 1 91  THR 91  164 164 THR THR AaA . n 
A 1 92  TRP 92  165 165 TRP TRP AaA . n 
A 1 93  CYS 93  166 166 CYS CYS AaA . n 
A 1 94  GLN 94  167 167 GLN GLN AaA . n 
A 1 95  SER 95  168 168 SER SER AaA . n 
A 1 96  GLU 96  169 169 GLU GLU AaA . n 
A 1 97  GLY 97  170 170 GLY GLY AaA . n 
A 1 98  ARG 98  171 171 ARG ARG AaA . n 
A 1 99  ILE 99  172 172 ILE ILE AaA . n 
A 1 100 GLY 100 173 173 GLY GLY AaA . n 
A 1 101 THR 101 174 174 THR THR AaA . n 
A 1 102 ARG 102 175 175 ARG ARG AaA . n 
A 1 103 ARG 103 176 176 ARG ARG AaA . n 
A 1 104 ASP 104 177 177 ASP ASP AaA . n 
A 1 105 TRP 105 178 178 TRP TRP AaA . n 
A 1 106 ILE 106 179 179 ILE ILE AaA . n 
A 1 107 LEU 107 180 180 LEU LEU AaA . n 
A 1 108 LYS 108 181 181 LYS LYS AaA . n 
A 1 109 ASP 109 182 182 ASP ASP AaA . n 
A 1 110 SER 110 183 183 SER SER AaA . n 
A 1 111 VAL 111 184 184 VAL VAL AaA . n 
A 1 112 THR 112 185 185 THR THR AaA . n 
A 1 113 GLY 113 186 186 GLY GLY AaA . n 
A 1 114 GLU 114 187 187 GLU GLU AaA . n 
A 1 115 VAL 115 188 188 VAL VAL AaA . n 
A 1 116 THR 116 189 189 THR THR AaA . n 
A 1 117 GLY 117 190 190 GLY GLY AaA . n 
A 1 118 ARG 118 191 191 ARG ARG AaA . n 
A 1 119 ALA 119 192 192 ALA ALA AaA . n 
A 1 120 THR 120 193 193 THR THR AaA . n 
A 1 121 SER 121 194 194 SER SER AaA . n 
A 1 122 LYS 122 195 195 LYS LYS AaA . n 
A 1 123 TRP 123 196 196 TRP TRP AaA . n 
A 1 124 VAL 124 197 197 VAL VAL AaA . n 
A 1 125 MET 125 198 198 MET MET AaA . n 
A 1 126 MET 126 199 199 MET MET AaA . n 
A 1 127 ASN 127 200 200 ASN ASN AaA . n 
A 1 128 GLN 128 201 201 GLN GLN AaA . n 
A 1 129 ASP 129 202 202 ASP ASP AaA . n 
A 1 130 THR 130 203 203 THR THR AaA . n 
A 1 131 ARG 131 204 204 ARG ARG AaA . n 
A 1 132 ARG 132 205 205 ARG ARG AaA . n 
A 1 133 LEU 133 206 206 LEU LEU AaA . n 
A 1 134 GLN 134 207 207 GLN GLN AaA . n 
A 1 135 LYS 135 208 208 LYS LYS AaA . n 
A 1 136 VAL 136 209 209 VAL VAL AaA . n 
A 1 137 SER 137 210 210 SER SER AaA . n 
A 1 138 ASP 138 211 211 ASP ASP AaA . n 
A 1 139 ASP 139 212 212 ASP ASP AaA . n 
A 1 140 VAL 140 213 213 VAL VAL AaA . n 
A 1 141 ARG 141 214 214 ARG ARG AaA . n 
A 1 142 ASP 142 215 215 ASP ASP AaA . n 
A 1 143 GLU 143 216 216 GLU GLU AaA . n 
A 1 144 TYR 144 217 217 TYR TYR AaA . n 
A 1 145 LEU 145 218 218 LEU LEU AaA . n 
A 1 146 VAL 146 219 219 VAL VAL AaA . n 
A 1 147 PHE 147 220 220 PHE PHE AaA . n 
A 1 148 CYS 148 221 221 CYS CYS AaA . n 
A 1 149 PRO 149 222 222 PRO PRO AaA . n 
A 1 150 GLN 150 223 223 GLN GLN AaA . n 
A 1 151 GLU 151 224 224 GLU GLU AaA . n 
A 1 152 PRO 152 225 225 PRO PRO AaA . n 
A 1 153 ARG 153 226 226 ARG ARG AaA . n 
A 1 154 LEU 154 227 227 LEU LEU AaA . n 
A 1 155 ALA 155 228 228 ALA ALA AaA . n 
A 1 156 PHE 156 229 229 PHE PHE AaA . n 
A 1 157 PRO 157 230 ?   ?   ?   AaA . n 
A 1 158 GLU 158 231 ?   ?   ?   AaA . n 
A 1 159 GLU 159 232 ?   ?   ?   AaA . n 
A 1 160 ASN 160 233 ?   ?   ?   AaA . n 
A 1 161 ASN 161 234 ?   ?   ?   AaA . n 
A 1 162 ARG 162 235 ?   ?   ?   AaA . n 
A 1 163 SER 163 236 ?   ?   ?   AaA . n 
A 1 164 LEU 164 237 ?   ?   ?   AaA . n 
A 1 165 LYS 165 238 ?   ?   ?   AaA . n 
A 1 166 LYS 166 239 239 LYS LYS AaA . n 
A 1 167 ILE 167 240 240 ILE ILE AaA . n 
A 1 168 PRO 168 241 241 PRO PRO AaA . n 
A 1 169 LYS 169 242 242 LYS LYS AaA . n 
A 1 170 LEU 170 243 243 LEU LEU AaA . n 
A 1 171 GLU 171 244 244 GLU GLU AaA . n 
A 1 172 ASP 172 245 245 ASP ASP AaA . n 
A 1 173 PRO 173 246 246 PRO PRO AaA . n 
A 1 174 ALA 174 247 247 ALA ALA AaA . n 
A 1 175 GLN 175 248 248 GLN GLN AaA . n 
A 1 176 TYR 176 249 249 TYR TYR AaA . n 
A 1 177 SER 177 250 250 SER SER AaA . n 
A 1 178 MET 178 251 251 MET MET AaA . n 
A 1 179 ILE 179 252 252 ILE ILE AaA . n 
A 1 180 GLY 180 253 253 GLY GLY AaA . n 
A 1 181 LEU 181 254 254 LEU LEU AaA . n 
A 1 182 LYS 182 255 255 LYS LYS AaA . n 
A 1 183 PRO 183 256 256 PRO PRO AaA . n 
A 1 184 ARG 184 257 257 ARG ARG AaA . n 
A 1 185 ARG 185 258 258 ARG ARG AaA . n 
A 1 186 ALA 186 259 259 ALA ALA AaA . n 
A 1 187 ASP 187 260 260 ASP ASP AaA . n 
A 1 188 LEU 188 261 261 LEU LEU AaA . n 
A 1 189 ASP 189 262 262 ASP ASP AaA . n 
A 1 190 MET 190 263 263 MET MET AaA . n 
A 1 191 ASN 191 264 264 ASN ASN AaA . n 
A 1 192 GLN 192 265 265 GLN GLN AaA . n 
A 1 193 HIS 193 266 266 HIS HIS AaA . n 
A 1 194 VAL 194 267 267 VAL VAL AaA . n 
A 1 195 ASN 195 268 268 ASN ASN AaA . n 
A 1 196 ASN 196 269 269 ASN ASN AaA . n 
A 1 197 VAL 197 270 270 VAL VAL AaA . n 
A 1 198 THR 198 271 271 THR THR AaA . n 
A 1 199 TYR 199 272 272 TYR TYR AaA . n 
A 1 200 ILE 200 273 273 ILE ILE AaA . n 
A 1 201 GLY 201 274 274 GLY GLY AaA . n 
A 1 202 TRP 202 275 275 TRP TRP AaA . n 
A 1 203 VAL 203 276 276 VAL VAL AaA . n 
A 1 204 LEU 204 277 277 LEU LEU AaA . n 
A 1 205 GLU 205 278 278 GLU GLU AaA . n 
A 1 206 SER 206 279 279 SER SER AaA . n 
A 1 207 ILE 207 280 280 ILE ILE AaA . n 
A 1 208 PRO 208 281 281 PRO PRO AaA . n 
A 1 209 GLN 209 282 282 GLN GLN AaA . n 
A 1 210 GLU 210 283 283 GLU GLU AaA . n 
A 1 211 ILE 211 284 284 ILE ILE AaA . n 
A 1 212 VAL 212 285 285 VAL VAL AaA . n 
A 1 213 ASP 213 286 286 ASP ASP AaA . n 
A 1 214 THR 214 287 287 THR THR AaA . n 
A 1 215 HIS 215 288 288 HIS HIS AaA . n 
A 1 216 GLU 216 289 289 GLU GLU AaA . n 
A 1 217 LEU 217 290 290 LEU LEU AaA . n 
A 1 218 GLN 218 291 291 GLN GLN AaA . n 
A 1 219 VAL 219 292 292 VAL VAL AaA . n 
A 1 220 ILE 220 293 293 ILE ILE AaA . n 
A 1 221 THR 221 294 294 THR THR AaA . n 
A 1 222 LEU 222 295 295 LEU LEU AaA . n 
A 1 223 ASP 223 296 296 ASP ASP AaA . n 
A 1 224 TYR 224 297 297 TYR TYR AaA . n 
A 1 225 ARG 225 298 298 ARG ARG AaA . n 
A 1 226 ARG 226 299 299 ARG ARG AaA . n 
A 1 227 GLU 227 300 300 GLU GLU AaA . n 
A 1 228 CYS 228 301 301 CYS CYS AaA . n 
A 1 229 GLN 229 302 302 GLN GLN AaA . n 
A 1 230 GLN 230 303 303 GLN GLN AaA . n 
A 1 231 ASP 231 304 304 ASP ASP AaA . n 
A 1 232 ASP 232 305 305 ASP ASP AaA . n 
A 1 233 VAL 233 306 306 VAL VAL AaA . n 
A 1 234 VAL 234 307 307 VAL VAL AaA . n 
A 1 235 ASP 235 308 308 ASP ASP AaA . n 
A 1 236 SER 236 309 309 SER SER AaA . n 
A 1 237 LEU 237 310 310 LEU LEU AaA . n 
A 1 238 THR 238 311 311 THR THR AaA . n 
A 1 239 THR 239 312 312 THR THR AaA . n 
A 1 240 THR 240 313 313 THR THR AaA . n 
A 1 241 THR 241 314 314 THR THR AaA . n 
A 1 242 SER 242 315 315 SER SER AaA . n 
A 1 243 GLU 243 316 ?   ?   ?   AaA . n 
A 1 244 ILE 244 317 ?   ?   ?   AaA . n 
A 1 245 GLY 245 318 ?   ?   ?   AaA . n 
A 1 246 GLY 246 319 ?   ?   ?   AaA . n 
A 1 247 THR 247 320 ?   ?   ?   AaA . n 
A 1 248 ASN 248 321 ?   ?   ?   AaA . n 
A 1 249 GLY 249 322 ?   ?   ?   AaA . n 
A 1 250 SER 250 323 ?   ?   ?   AaA . n 
A 1 251 ALA 251 324 ?   ?   ?   AaA . n 
A 1 252 THR 252 325 ?   ?   ?   AaA . n 
A 1 253 SER 253 326 ?   ?   ?   AaA . n 
A 1 254 GLY 254 327 ?   ?   ?   AaA . n 
A 1 255 THR 255 328 ?   ?   ?   AaA . n 
A 1 256 GLN 256 329 ?   ?   ?   AaA . n 
A 1 257 GLY 257 330 ?   ?   ?   AaA . n 
A 1 258 HIS 258 331 ?   ?   ?   AaA . n 
A 1 259 ASN 259 332 ?   ?   ?   AaA . n 
A 1 260 ASP 260 333 333 ASP ASP AaA . n 
A 1 261 SER 261 334 334 SER SER AaA . n 
A 1 262 GLN 262 335 335 GLN GLN AaA . n 
A 1 263 PHE 263 336 336 PHE PHE AaA . n 
A 1 264 LEU 264 337 337 LEU LEU AaA . n 
A 1 265 HIS 265 338 338 HIS HIS AaA . n 
A 1 266 LEU 266 339 339 LEU LEU AaA . n 
A 1 267 LEU 267 340 340 LEU LEU AaA . n 
A 1 268 ARG 268 341 341 ARG ARG AaA . n 
A 1 269 LEU 269 342 342 LEU LEU AaA . n 
A 1 270 SER 270 343 343 SER SER AaA . n 
A 1 271 GLY 271 344 344 GLY GLY AaA . n 
A 1 272 ASP 272 345 345 ASP ASP AaA . n 
A 1 273 GLY 273 346 346 GLY GLY AaA . n 
A 1 274 GLN 274 347 347 GLN GLN AaA . n 
A 1 275 GLU 275 348 348 GLU GLU AaA . n 
A 1 276 ILE 276 349 349 ILE ILE AaA . n 
A 1 277 ASN 277 350 350 ASN ASN AaA . n 
A 1 278 ARG 278 351 351 ARG ARG AaA . n 
A 1 279 GLY 279 352 352 GLY GLY AaA . n 
A 1 280 THR 280 353 353 THR THR AaA . n 
A 1 281 THR 281 354 354 THR THR AaA . n 
A 1 282 LEU 282 355 355 LEU LEU AaA . n 
A 1 283 TRP 283 356 356 TRP TRP AaA . n 
A 1 284 ARG 284 357 357 ARG ARG AaA . n 
A 1 285 LYS 285 358 358 LYS LYS AaA . n 
A 1 286 LYS 286 359 359 LYS LYS AaA . n 
A 1 287 PRO 287 360 360 PRO PRO AaA . n 
A 1 288 SER 288 361 ?   ?   ?   AaA . n 
A 1 289 SER 289 362 ?   ?   ?   AaA . n 
A 1 290 HIS 290 363 ?   ?   ?   AaA . n 
A 1 291 HIS 291 364 ?   ?   ?   AaA . n 
A 1 292 HIS 292 365 ?   ?   ?   AaA . n 
A 1 293 HIS 293 366 ?   ?   ?   AaA . n 
A 1 294 HIS 294 367 ?   ?   ?   AaA . n 
A 1 295 HIS 295 368 ?   ?   ?   AaA . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1IWF 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1IWF 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 A1IWF 1   401 1   A1IWF 058 AaA . 
C 3 GOL   1   402 401 GOL   GOL AaA . 
D 4 SO4   1   403 1   SO4   SO4 AaA . 
E 5 HOH   1   501 137 HOH   HOH AaA . 
E 5 HOH   2   502 36  HOH   HOH AaA . 
E 5 HOH   3   503 135 HOH   HOH AaA . 
E 5 HOH   4   504 117 HOH   HOH AaA . 
E 5 HOH   5   505 156 HOH   HOH AaA . 
E 5 HOH   6   506 9   HOH   HOH AaA . 
E 5 HOH   7   507 40  HOH   HOH AaA . 
E 5 HOH   8   508 133 HOH   HOH AaA . 
E 5 HOH   9   509 55  HOH   HOH AaA . 
E 5 HOH   10  510 105 HOH   HOH AaA . 
E 5 HOH   11  511 91  HOH   HOH AaA . 
E 5 HOH   12  512 82  HOH   HOH AaA . 
E 5 HOH   13  513 8   HOH   HOH AaA . 
E 5 HOH   14  514 15  HOH   HOH AaA . 
E 5 HOH   15  515 30  HOH   HOH AaA . 
E 5 HOH   16  516 146 HOH   HOH AaA . 
E 5 HOH   17  517 96  HOH   HOH AaA . 
E 5 HOH   18  518 31  HOH   HOH AaA . 
E 5 HOH   19  519 73  HOH   HOH AaA . 
E 5 HOH   20  520 129 HOH   HOH AaA . 
E 5 HOH   21  521 28  HOH   HOH AaA . 
E 5 HOH   22  522 107 HOH   HOH AaA . 
E 5 HOH   23  523 27  HOH   HOH AaA . 
E 5 HOH   24  524 32  HOH   HOH AaA . 
E 5 HOH   25  525 138 HOH   HOH AaA . 
E 5 HOH   26  526 34  HOH   HOH AaA . 
E 5 HOH   27  527 153 HOH   HOH AaA . 
E 5 HOH   28  528 124 HOH   HOH AaA . 
E 5 HOH   29  529 143 HOH   HOH AaA . 
E 5 HOH   30  530 111 HOH   HOH AaA . 
E 5 HOH   31  531 87  HOH   HOH AaA . 
E 5 HOH   32  532 78  HOH   HOH AaA . 
E 5 HOH   33  533 23  HOH   HOH AaA . 
E 5 HOH   34  534 48  HOH   HOH AaA . 
E 5 HOH   35  535 161 HOH   HOH AaA . 
E 5 HOH   36  536 109 HOH   HOH AaA . 
E 5 HOH   37  537 45  HOH   HOH AaA . 
E 5 HOH   38  538 80  HOH   HOH AaA . 
E 5 HOH   39  539 100 HOH   HOH AaA . 
E 5 HOH   40  540 51  HOH   HOH AaA . 
E 5 HOH   41  541 154 HOH   HOH AaA . 
E 5 HOH   42  542 141 HOH   HOH AaA . 
E 5 HOH   43  543 24  HOH   HOH AaA . 
E 5 HOH   44  544 7   HOH   HOH AaA . 
E 5 HOH   45  545 77  HOH   HOH AaA . 
E 5 HOH   46  546 21  HOH   HOH AaA . 
E 5 HOH   47  547 84  HOH   HOH AaA . 
E 5 HOH   48  548 162 HOH   HOH AaA . 
E 5 HOH   49  549 22  HOH   HOH AaA . 
E 5 HOH   50  550 61  HOH   HOH AaA . 
E 5 HOH   51  551 44  HOH   HOH AaA . 
E 5 HOH   52  552 71  HOH   HOH AaA . 
E 5 HOH   53  553 131 HOH   HOH AaA . 
E 5 HOH   54  554 46  HOH   HOH AaA . 
E 5 HOH   55  555 167 HOH   HOH AaA . 
E 5 HOH   56  556 14  HOH   HOH AaA . 
E 5 HOH   57  557 60  HOH   HOH AaA . 
E 5 HOH   58  558 115 HOH   HOH AaA . 
E 5 HOH   59  559 152 HOH   HOH AaA . 
E 5 HOH   60  560 29  HOH   HOH AaA . 
E 5 HOH   61  561 90  HOH   HOH AaA . 
E 5 HOH   62  562 68  HOH   HOH AaA . 
E 5 HOH   63  563 35  HOH   HOH AaA . 
E 5 HOH   64  564 56  HOH   HOH AaA . 
E 5 HOH   65  565 92  HOH   HOH AaA . 
E 5 HOH   66  566 65  HOH   HOH AaA . 
E 5 HOH   67  567 136 HOH   HOH AaA . 
E 5 HOH   68  568 19  HOH   HOH AaA . 
E 5 HOH   69  569 112 HOH   HOH AaA . 
E 5 HOH   70  570 1   HOH   HOH AaA . 
E 5 HOH   71  571 64  HOH   HOH AaA . 
E 5 HOH   72  572 43  HOH   HOH AaA . 
E 5 HOH   73  573 95  HOH   HOH AaA . 
E 5 HOH   74  574 58  HOH   HOH AaA . 
E 5 HOH   75  575 122 HOH   HOH AaA . 
E 5 HOH   76  576 89  HOH   HOH AaA . 
E 5 HOH   77  577 166 HOH   HOH AaA . 
E 5 HOH   78  578 11  HOH   HOH AaA . 
E 5 HOH   79  579 5   HOH   HOH AaA . 
E 5 HOH   80  580 13  HOH   HOH AaA . 
E 5 HOH   81  581 130 HOH   HOH AaA . 
E 5 HOH   82  582 134 HOH   HOH AaA . 
E 5 HOH   83  583 106 HOH   HOH AaA . 
E 5 HOH   84  584 99  HOH   HOH AaA . 
E 5 HOH   85  585 94  HOH   HOH AaA . 
E 5 HOH   86  586 53  HOH   HOH AaA . 
E 5 HOH   87  587 66  HOH   HOH AaA . 
E 5 HOH   88  588 118 HOH   HOH AaA . 
E 5 HOH   89  589 116 HOH   HOH AaA . 
E 5 HOH   90  590 67  HOH   HOH AaA . 
E 5 HOH   91  591 97  HOH   HOH AaA . 
E 5 HOH   92  592 83  HOH   HOH AaA . 
E 5 HOH   93  593 4   HOH   HOH AaA . 
E 5 HOH   94  594 26  HOH   HOH AaA . 
E 5 HOH   95  595 39  HOH   HOH AaA . 
E 5 HOH   96  596 25  HOH   HOH AaA . 
E 5 HOH   97  597 49  HOH   HOH AaA . 
E 5 HOH   98  598 16  HOH   HOH AaA . 
E 5 HOH   99  599 42  HOH   HOH AaA . 
E 5 HOH   100 600 2   HOH   HOH AaA . 
E 5 HOH   101 601 54  HOH   HOH AaA . 
E 5 HOH   102 602 41  HOH   HOH AaA . 
E 5 HOH   103 603 114 HOH   HOH AaA . 
E 5 HOH   104 604 10  HOH   HOH AaA . 
E 5 HOH   105 605 125 HOH   HOH AaA . 
E 5 HOH   106 606 76  HOH   HOH AaA . 
E 5 HOH   107 607 158 HOH   HOH AaA . 
E 5 HOH   108 608 108 HOH   HOH AaA . 
E 5 HOH   109 609 72  HOH   HOH AaA . 
E 5 HOH   110 610 57  HOH   HOH AaA . 
E 5 HOH   111 611 159 HOH   HOH AaA . 
E 5 HOH   112 612 103 HOH   HOH AaA . 
E 5 HOH   113 613 128 HOH   HOH AaA . 
E 5 HOH   114 614 119 HOH   HOH AaA . 
E 5 HOH   115 615 37  HOH   HOH AaA . 
E 5 HOH   116 616 120 HOH   HOH AaA . 
E 5 HOH   117 617 148 HOH   HOH AaA . 
E 5 HOH   118 618 12  HOH   HOH AaA . 
E 5 HOH   119 619 147 HOH   HOH AaA . 
E 5 HOH   120 620 101 HOH   HOH AaA . 
E 5 HOH   121 621 142 HOH   HOH AaA . 
E 5 HOH   122 622 50  HOH   HOH AaA . 
E 5 HOH   123 623 88  HOH   HOH AaA . 
E 5 HOH   124 624 121 HOH   HOH AaA . 
E 5 HOH   125 625 165 HOH   HOH AaA . 
E 5 HOH   126 626 52  HOH   HOH AaA . 
E 5 HOH   127 627 110 HOH   HOH AaA . 
E 5 HOH   128 628 33  HOH   HOH AaA . 
E 5 HOH   129 629 59  HOH   HOH AaA . 
E 5 HOH   130 630 145 HOH   HOH AaA . 
E 5 HOH   131 631 70  HOH   HOH AaA . 
E 5 HOH   132 632 75  HOH   HOH AaA . 
E 5 HOH   133 633 102 HOH   HOH AaA . 
E 5 HOH   134 634 93  HOH   HOH AaA . 
E 5 HOH   135 635 86  HOH   HOH AaA . 
E 5 HOH   136 636 104 HOH   HOH AaA . 
E 5 HOH   137 637 155 HOH   HOH AaA . 
E 5 HOH   138 638 74  HOH   HOH AaA . 
E 5 HOH   139 639 168 HOH   HOH AaA . 
E 5 HOH   140 640 149 HOH   HOH AaA . 
E 5 HOH   141 641 3   HOH   HOH AaA . 
E 5 HOH   142 642 113 HOH   HOH AaA . 
E 5 HOH   143 643 163 HOH   HOH AaA . 
E 5 HOH   144 644 164 HOH   HOH AaA . 
E 5 HOH   145 645 17  HOH   HOH AaA . 
E 5 HOH   146 646 132 HOH   HOH AaA . 
E 5 HOH   147 647 98  HOH   HOH AaA . 
E 5 HOH   148 648 140 HOH   HOH AaA . 
E 5 HOH   149 649 139 HOH   HOH AaA . 
E 5 HOH   150 650 160 HOH   HOH AaA . 
E 5 HOH   151 651 69  HOH   HOH AaA . 
E 5 HOH   152 652 79  HOH   HOH AaA . 
E 5 HOH   153 653 85  HOH   HOH AaA . 
E 5 HOH   154 654 144 HOH   HOH AaA . 
E 5 HOH   155 655 126 HOH   HOH AaA . 
E 5 HOH   156 656 151 HOH   HOH AaA . 
E 5 HOH   157 657 62  HOH   HOH AaA . 
E 5 HOH   158 658 6   HOH   HOH AaA . 
E 5 HOH   159 659 38  HOH   HOH AaA . 
E 5 HOH   160 660 47  HOH   HOH AaA . 
E 5 HOH   161 661 81  HOH   HOH AaA . 
E 5 HOH   162 662 63  HOH   HOH AaA . 
E 5 HOH   163 663 157 HOH   HOH AaA . 
E 5 HOH   164 664 127 HOH   HOH AaA . 
E 5 HOH   165 665 18  HOH   HOH AaA . 
E 5 HOH   166 666 20  HOH   HOH AaA . 
E 5 HOH   167 667 123 HOH   HOH AaA . 
E 5 HOH   168 668 150 HOH   HOH AaA . 
E 5 HOH   169 669 169 HOH   HOH AaA . 
# 
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 ? ? ? 5.8.0253 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? xia2   ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? xia2   ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? MOLREP ? ? ? .        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                     9HMT 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     97.330 
_cell.length_a_esd                 ? 
_cell.length_b                     97.330 
_cell.length_b_esd                 ? 
_cell.length_c                     124.940 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        16 
_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                         9HMT 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                97 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'I 4 2 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                   9HMT 
_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             2.20 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          44.11 
_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          'VAPOR DIFFUSION, SITTING DROP' 
_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    '0.1M sodium acetate pH4.6, 1.5M ammonium sulphate' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_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   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS 2M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2016-02-08 
_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   0.9763 
_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                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'DIAMOND BEAMLINE I03' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.9763 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   I03 
_diffrn_source.pdbx_synchrotron_site       Diamond 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9HMT 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.38 
_reflns.d_resolution_low                               76.78 
_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                                     61206 
_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                           99.3 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                8.2 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          17.0 
_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                                0.060 
_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                                   1.0 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_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                                    1.38 
_reflns_shell.d_res_low                                     1.42 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           1.6 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             4250 
_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                               5.4 
_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                               1.130 
_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                                  0.5 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          94.0 
_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]                            -0.236 
_refine.aniso_B[1][2]                            0.000 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            -0.236 
_refine.aniso_B[2][3]                            -0.000 
_refine.aniso_B[3][3]                            0.471 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               22.402 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.967 
_refine.correlation_coeff_Fo_to_Fc_free          0.967 
_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                                 9HMT 
_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                            1.380 
_refine.ls_d_res_low                             76.78 
_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                     61205 
_refine.ls_number_reflns_R_free                  3083 
_refine.ls_number_reflns_R_work                  58122 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.285 
_refine.ls_percent_reflns_R_free                 5.037 
_refine.ls_R_factor_all                          0.191 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.1935 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1904 
_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                       0.060 
_refine.pdbx_overall_ESU_R_Free                  0.056 
_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                             1.035 
_refine.overall_SU_ML                            0.041 
_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.pdbx_number_atoms_protein        2094 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         35 
_refine_hist.number_atoms_solvent             169 
_refine_hist.number_atoms_total               2298 
_refine_hist.d_res_high                       1.380 
_refine_hist.d_res_low                        76.78 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.010  0.013  2307 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.002  0.017  2124 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.592  1.644  3151 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 1.509  1.578  4940 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 6.722  5.000  289  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 33.687 21.880 133  ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 12.930 15.000 416  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 15.679 15.000 20   ? r_dihedral_angle_4_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.079  0.200  304  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.008  0.020  2566 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  498  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.199  0.200  398  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.193  0.200  1938 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.169  0.200  1072 ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.087  0.200  1065 ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.126  0.200  121  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.266  0.200  21   ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.229  0.200  78   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.093  0.200  19   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 1.735  2.122  1072 ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.736  2.118  1071 ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.606  3.178  1344 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 2.605  3.182  1345 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 2.729  2.480  1235 ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.732  2.482  1232 ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 4.239  3.587  1792 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 4.243  3.590  1787 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 5.167  24.905 2571 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 5.155  24.705 2551 ? 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' 1.380 1.416 . . 216 4033 93.8383  . . . . 0.296 . . . . . . . . . . . 0.310 
'X-RAY DIFFRACTION' 1.416 1.455 . . 227 4046 97.3570  . . . . 0.267 . . . . . . . . . . . 0.290 
'X-RAY DIFFRACTION' 1.455 1.497 . . 220 4052 99.5340  . . . . 0.237 . . . . . . . . . . . 0.245 
'X-RAY DIFFRACTION' 1.497 1.543 . . 200 3915 100.0000 . . . . 0.224 . . . . . . . . . . . 0.277 
'X-RAY DIFFRACTION' 1.543 1.593 . . 201 3805 99.9750  . . . . 0.204 . . . . . . . . . . . 0.224 
'X-RAY DIFFRACTION' 1.593 1.649 . . 197 3731 99.9491  . . . . 0.196 . . . . . . . . . . . 0.227 
'X-RAY DIFFRACTION' 1.649 1.712 . . 183 3554 99.8931  . . . . 0.199 . . . . . . . . . . . 0.219 
'X-RAY DIFFRACTION' 1.712 1.781 . . 177 3455 100.0000 . . . . 0.191 . . . . . . . . . . . 0.193 
'X-RAY DIFFRACTION' 1.781 1.861 . . 182 3317 100.0000 . . . . 0.189 . . . . . . . . . . . 0.219 
'X-RAY DIFFRACTION' 1.861 1.951 . . 180 3137 99.9096  . . . . 0.181 . . . . . . . . . . . 0.213 
'X-RAY DIFFRACTION' 1.951 2.057 . . 141 3041 99.9686  . . . . 0.189 . . . . . . . . . . . 0.195 
'X-RAY DIFFRACTION' 2.057 2.181 . . 163 2842 99.9667  . . . . 0.179 . . . . . . . . . . . 0.183 
'X-RAY DIFFRACTION' 2.181 2.332 . . 151 2703 100.0000 . . . . 0.173 . . . . . . . . . . . 0.192 
'X-RAY DIFFRACTION' 2.332 2.519 . . 124 2524 99.9622  . . . . 0.184 . . . . . . . . . . . 0.192 
'X-RAY DIFFRACTION' 2.519 2.759 . . 125 2319 99.9182  . . . . 0.190 . . . . . . . . . . . 0.193 
'X-RAY DIFFRACTION' 2.759 3.084 . . 117 2117 99.9553  . . . . 0.198 . . . . . . . . . . . 0.197 
'X-RAY DIFFRACTION' 3.084 3.560 . . 93  1882 99.8988  . . . . 0.190 . . . . . . . . . . . 0.193 
'X-RAY DIFFRACTION' 3.560 4.358 . . 96  1595 99.9409  . . . . 0.165 . . . . . . . . . . . 0.152 
'X-RAY DIFFRACTION' 4.358 6.153 . . 57  1290 99.9258  . . . . 0.176 . . . . . . . . . . . 0.149 
'X-RAY DIFFRACTION' 6.153 76.78 . . 33  765  99.2537  . . . . 0.229 . . . . . . . . . . . 0.213 
# 
_struct.entry_id                     9HMT 
_struct.title                        
'Crystal structure of Arabidopsis thaliana Acyl-ACP Thioesterase (At-FatA) complexed with methiozolin-fluorine' 
_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        9HMT 
_struct_keywords.text            'Arabidopsis, Thioesterase, Inhibitor, Herbicide, Methiozolin, HYDROLASE' 
_struct_keywords.pdbx_keywords   HYDROLASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    FATA1_ARATH 
_struct_ref.pdbx_db_accession          Q42561 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;GSLTEDGLSYKEKFVVRSYEVGSNKTATVETIANLLQEVGCNHAQSVGFSTDGFATTTTMRKLHLIWVTARMHIEIYKYP
AWGDVVEIETWCQSEGRIGTRRDWILKDSVTGEVTGRATSKWVMMNQDTRRLQKVSDDVRDEYLVFCPQEPRLAFPEENN
RSLKKIPKLEDPAQYSMIGLKPRRADLDMNQHVNNVTYIGWVLESIPQEIVDTHELQVITLDYRRECQQDDVVDSLTTTT
SEIGGTNGSATSGTQGHNDSQFLHLLRLSGDGQEINRGTTLWRKKPSS
;
_struct_ref.pdbx_align_begin           75 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9HMT 
_struct_ref_seq.pdbx_strand_id                AaA 
_struct_ref_seq.seq_align_beg                 2 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 289 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q42561 
_struct_ref_seq.db_align_beg                  75 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  362 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       75 
_struct_ref_seq.pdbx_auth_seq_align_end       362 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 9HMT MET AaA 1   ? UNP Q42561 ? ? 'initiating methionine' 74  1 
1 9HMT HIS AaA 290 ? UNP Q42561 ? ? 'expression tag'        363 2 
1 9HMT HIS AaA 291 ? UNP Q42561 ? ? 'expression tag'        364 3 
1 9HMT HIS AaA 292 ? UNP Q42561 ? ? 'expression tag'        365 4 
1 9HMT HIS AaA 293 ? UNP Q42561 ? ? 'expression tag'        366 5 
1 9HMT HIS AaA 294 ? UNP Q42561 ? ? 'expression tag'        367 6 
1 9HMT HIS AaA 295 ? UNP Q42561 ? ? 'expression tag'        368 7 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 4310  ? 
1 MORE         -4    ? 
1 'SSA (A^2)'  22920 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555  x,y,z                1.0000000000 0.0000000000  0.0000000000 0.0000000000   0.0000000000  
1.0000000000 0.0000000000 0.0000000000   0.0000000000 0.0000000000 1.0000000000  0.0000000000   
2 'crystal symmetry operation' 16_444 -y-1/2,-x-1/2,-z-1/2 0.0000000000 -1.0000000000 0.0000000000 -48.6650000000 -1.0000000000 
0.0000000000 0.0000000000 -48.6650000000 0.0000000000 0.0000000000 -1.0000000000 -62.4700000000 
# 
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 ARG A 18  ? VAL A 22  ? ARG AaA 91  VAL AaA 95  5 ? 5  
HELX_P HELX_P2 AA2 THR A 29  ? VAL A 48  ? THR AaA 102 VAL AaA 121 1 ? 20 
HELX_P HELX_P3 AA3 THR A 58  ? LEU A 64  ? THR AaA 131 LEU AaA 137 1 ? 7  
HELX_P HELX_P4 AA4 SER A 137 ? VAL A 146 ? SER AaA 210 VAL AaA 219 1 ? 10 
HELX_P HELX_P5 AA5 ARG A 184 ? LEU A 188 ? ARG AaA 257 LEU AaA 261 5 ? 5  
HELX_P HELX_P6 AA6 ASN A 195 ? SER A 206 ? ASN AaA 268 SER AaA 279 1 ? 12 
HELX_P HELX_P7 AA7 PRO A 208 ? THR A 214 ? PRO AaA 281 THR AaA 287 1 ? 7  
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          ASP 
_struct_mon_prot_cis.label_seq_id           172 
_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           ASP 
_struct_mon_prot_cis.auth_seq_id            245 
_struct_mon_prot_cis.auth_asym_id           AaA 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    173 
_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     246 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    AaA 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -4.81 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 6  ? 
AA2 ? 11 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1  2  ? anti-parallel 
AA1 2  3  ? anti-parallel 
AA1 3  4  ? anti-parallel 
AA1 4  5  ? anti-parallel 
AA1 5  6  ? anti-parallel 
AA2 1  2  ? anti-parallel 
AA2 2  3  ? anti-parallel 
AA2 3  4  ? anti-parallel 
AA2 4  5  ? anti-parallel 
AA2 5  6  ? anti-parallel 
AA2 6  7  ? anti-parallel 
AA2 7  8  ? anti-parallel 
AA2 8  9  ? anti-parallel 
AA2 9  10 ? anti-parallel 
AA2 10 11 ? 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 3   ? LEU A 4   ? SER AaA 76  LEU AaA 77  
AA1 2  TYR A 11  ? VAL A 16  ? TYR AaA 84  VAL AaA 89  
AA1 3  VAL A 86  ? GLU A 96  ? VAL AaA 159 GLU AaA 169 
AA1 4  GLY A 100 ? ASP A 109 ? GLY AaA 173 ASP AaA 182 
AA1 5  VAL A 115 ? ASN A 127 ? VAL AaA 188 ASN AaA 200 
AA1 6  LEU A 133 ? GLN A 134 ? LEU AaA 206 GLN AaA 207 
AA2 1  SER A 3   ? LEU A 4   ? SER AaA 76  LEU AaA 77  
AA2 2  TYR A 11  ? VAL A 16  ? TYR AaA 84  VAL AaA 89  
AA2 3  VAL A 86  ? GLU A 96  ? VAL AaA 159 GLU AaA 169 
AA2 4  GLY A 100 ? ASP A 109 ? GLY AaA 173 ASP AaA 182 
AA2 5  VAL A 115 ? ASN A 127 ? VAL AaA 188 ASN AaA 200 
AA2 6  LEU A 66  ? ILE A 77  ? LEU AaA 139 ILE AaA 150 
AA2 7  HIS A 215 ? TYR A 224 ? HIS AaA 288 TYR AaA 297 
AA2 8  GLU A 275 ? LYS A 285 ? GLU AaA 348 LYS AaA 358 
AA2 9  SER A 261 ? LEU A 269 ? SER AaA 334 LEU AaA 342 
AA2 10 VAL A 234 ? THR A 240 ? VAL AaA 307 THR AaA 313 
AA2 11 TYR A 176 ? LEU A 181 ? TYR AaA 249 LEU AaA 254 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1  2  N SER A 3   ? N SER AaA 76  O LYS A 12  ? O LYS AaA 85  
AA1 2  3  N GLU A 13  ? N GLU AaA 86  O ILE A 89  ? O ILE AaA 162 
AA1 3  4  N GLU A 88  ? N GLU AaA 161 O LYS A 108 ? O LYS AaA 181 
AA1 4  5  N THR A 101 ? N THR AaA 174 O TRP A 123 ? O TRP AaA 196 
AA1 5  6  N MET A 125 ? N MET AaA 198 O GLN A 134 ? O GLN AaA 207 
AA2 1  2  N SER A 3   ? N SER AaA 76  O LYS A 12  ? O LYS AaA 85  
AA2 2  3  N GLU A 13  ? N GLU AaA 86  O ILE A 89  ? O ILE AaA 162 
AA2 3  4  N GLU A 88  ? N GLU AaA 161 O LYS A 108 ? O LYS AaA 181 
AA2 4  5  N THR A 101 ? N THR AaA 174 O TRP A 123 ? O TRP AaA 196 
AA2 5  6  O LYS A 122 ? O LYS AaA 195 N ALA A 71  ? N ALA AaA 144 
AA2 6  7  N MET A 73  ? N MET AaA 146 O LEU A 222 ? O LEU AaA 295 
AA2 7  8  N ASP A 223 ? N ASP AaA 296 O ARG A 278 ? O ARG AaA 351 
AA2 8  9  O TRP A 283 ? O TRP AaA 356 N SER A 261 ? N SER AaA 334 
AA2 9  10 O ARG A 268 ? O ARG AaA 341 N ASP A 235 ? N ASP AaA 308 
AA2 10 11 O SER A 236 ? O SER AaA 309 N MET A 178 ? N MET AaA 251 
# 
_pdbx_entry_details.entry_id                   9HMT 
_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     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.PDB_ins_code_1 
_pdbx_validate_rmsd_angle.label_alt_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.PDB_ins_code_2 
_pdbx_validate_rmsd_angle.label_alt_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.PDB_ins_code_3 
_pdbx_validate_rmsd_angle.label_alt_id_3 
_pdbx_validate_rmsd_angle.angle_value 
_pdbx_validate_rmsd_angle.angle_target_value 
_pdbx_validate_rmsd_angle.angle_deviation 
_pdbx_validate_rmsd_angle.angle_standard_deviation 
_pdbx_validate_rmsd_angle.linker_flag 
1 1 NE AaA ARG 175 ? ? CZ AaA ARG 175 ? ? NH1 AaA ARG 175 ? ? 115.68 120.30 -4.62 0.50 N 
2 1 NE AaA ARG 175 ? ? CZ AaA ARG 175 ? ? NH2 AaA ARG 175 ? ? 124.73 120.30 4.43  0.50 N 
3 1 NE AaA ARG 357 ? ? CZ AaA ARG 357 ? ? NH2 AaA ARG 357 ? ? 124.39 120.30 4.09  0.50 N 
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 AaA SO4 403 ? D SO4 . 
2 1 AaA HOH 661 ? E HOH . 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 AaA MET 74  ? A MET 1   
2  1 Y 1 AaA PRO 230 ? A PRO 157 
3  1 Y 1 AaA GLU 231 ? A GLU 158 
4  1 Y 1 AaA GLU 232 ? A GLU 159 
5  1 Y 1 AaA ASN 233 ? A ASN 160 
6  1 Y 1 AaA ASN 234 ? A ASN 161 
7  1 Y 1 AaA ARG 235 ? A ARG 162 
8  1 Y 1 AaA SER 236 ? A SER 163 
9  1 Y 1 AaA LEU 237 ? A LEU 164 
10 1 Y 1 AaA LYS 238 ? A LYS 165 
11 1 Y 1 AaA GLU 316 ? A GLU 243 
12 1 Y 1 AaA ILE 317 ? A ILE 244 
13 1 Y 1 AaA GLY 318 ? A GLY 245 
14 1 Y 1 AaA GLY 319 ? A GLY 246 
15 1 Y 1 AaA THR 320 ? A THR 247 
16 1 Y 1 AaA ASN 321 ? A ASN 248 
17 1 Y 1 AaA GLY 322 ? A GLY 249 
18 1 Y 1 AaA SER 323 ? A SER 250 
19 1 Y 1 AaA ALA 324 ? A ALA 251 
20 1 Y 1 AaA THR 325 ? A THR 252 
21 1 Y 1 AaA SER 326 ? A SER 253 
22 1 Y 1 AaA GLY 327 ? A GLY 254 
23 1 Y 1 AaA THR 328 ? A THR 255 
24 1 Y 1 AaA GLN 329 ? A GLN 256 
25 1 Y 1 AaA GLY 330 ? A GLY 257 
26 1 Y 1 AaA HIS 331 ? A HIS 258 
27 1 Y 1 AaA ASN 332 ? A ASN 259 
28 1 Y 1 AaA SER 361 ? A SER 288 
29 1 Y 1 AaA SER 362 ? A SER 289 
30 1 Y 1 AaA HIS 363 ? A HIS 290 
31 1 Y 1 AaA HIS 364 ? A HIS 291 
32 1 Y 1 AaA HIS 365 ? A HIS 292 
33 1 Y 1 AaA HIS 366 ? A HIS 293 
34 1 Y 1 AaA HIS 367 ? A HIS 294 
35 1 Y 1 AaA HIS 368 ? A HIS 295 
# 
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 
A1IWF C1   C N N 1   
A1IWF F1   F N N 2   
A1IWF N1   N N N 3   
A1IWF O1   O N N 4   
A1IWF C2   C N S 5   
A1IWF O2   O N N 6   
A1IWF C3   C N N 7   
A1IWF C4   C N N 8   
A1IWF C5   C Y N 9   
A1IWF C6   C Y N 10  
A1IWF C7   C Y N 11  
A1IWF C8   C Y N 12  
A1IWF C9   C Y N 13  
A1IWF C10  C Y N 14  
A1IWF C11  C N N 15  
A1IWF C12  C N N 16  
A1IWF C13  C Y N 17  
A1IWF C14  C Y N 18  
A1IWF C15  C Y N 19  
A1IWF C16  C Y N 20  
A1IWF C17  C Y N 21  
A1IWF C18  C Y N 22  
A1IWF F3   F N N 23  
A1IWF F2   F N N 24  
A1IWF H1   H N N 25  
A1IWF H3   H N N 26  
A1IWF H2   H N N 27  
A1IWF H4   H N N 28  
A1IWF H5   H N N 29  
A1IWF H7   H N N 30  
A1IWF H6   H N N 31  
A1IWF H8   H N N 32  
A1IWF H9   H N N 33  
A1IWF H10  H N N 34  
A1IWF H12  H N N 35  
A1IWF H11  H N N 36  
A1IWF H13  H N N 37  
A1IWF H14  H N N 38  
A1IWF H15  H N N 39  
A1IWF H16  H N N 40  
ALA   N    N N N 41  
ALA   CA   C N S 42  
ALA   C    C N N 43  
ALA   O    O N N 44  
ALA   CB   C N N 45  
ALA   OXT  O N N 46  
ALA   H    H N N 47  
ALA   H2   H N N 48  
ALA   HA   H N N 49  
ALA   HB1  H N N 50  
ALA   HB2  H N N 51  
ALA   HB3  H N N 52  
ALA   HXT  H N N 53  
ARG   N    N N N 54  
ARG   CA   C N S 55  
ARG   C    C N N 56  
ARG   O    O N N 57  
ARG   CB   C N N 58  
ARG   CG   C N N 59  
ARG   CD   C N N 60  
ARG   NE   N N N 61  
ARG   CZ   C N N 62  
ARG   NH1  N N N 63  
ARG   NH2  N N N 64  
ARG   OXT  O N N 65  
ARG   H    H N N 66  
ARG   H2   H N N 67  
ARG   HA   H N N 68  
ARG   HB2  H N N 69  
ARG   HB3  H N N 70  
ARG   HG2  H N N 71  
ARG   HG3  H N N 72  
ARG   HD2  H N N 73  
ARG   HD3  H N N 74  
ARG   HE   H N N 75  
ARG   HH11 H N N 76  
ARG   HH12 H N N 77  
ARG   HH21 H N N 78  
ARG   HH22 H N N 79  
ARG   HXT  H N N 80  
ASN   N    N N N 81  
ASN   CA   C N S 82  
ASN   C    C N N 83  
ASN   O    O N N 84  
ASN   CB   C N N 85  
ASN   CG   C N N 86  
ASN   OD1  O N N 87  
ASN   ND2  N N N 88  
ASN   OXT  O N N 89  
ASN   H    H N N 90  
ASN   H2   H N N 91  
ASN   HA   H N N 92  
ASN   HB2  H N N 93  
ASN   HB3  H N N 94  
ASN   HD21 H N N 95  
ASN   HD22 H N N 96  
ASN   HXT  H N N 97  
ASP   N    N N N 98  
ASP   CA   C N S 99  
ASP   C    C N N 100 
ASP   O    O N N 101 
ASP   CB   C N N 102 
ASP   CG   C N N 103 
ASP   OD1  O N N 104 
ASP   OD2  O N N 105 
ASP   OXT  O N N 106 
ASP   H    H N N 107 
ASP   H2   H N N 108 
ASP   HA   H N N 109 
ASP   HB2  H N N 110 
ASP   HB3  H N N 111 
ASP   HD2  H N N 112 
ASP   HXT  H N N 113 
CYS   N    N N N 114 
CYS   CA   C N R 115 
CYS   C    C N N 116 
CYS   O    O N N 117 
CYS   CB   C N N 118 
CYS   SG   S N N 119 
CYS   OXT  O N N 120 
CYS   H    H N N 121 
CYS   H2   H N N 122 
CYS   HA   H N N 123 
CYS   HB2  H N N 124 
CYS   HB3  H N N 125 
CYS   HG   H N N 126 
CYS   HXT  H N N 127 
GLN   N    N N N 128 
GLN   CA   C N S 129 
GLN   C    C N N 130 
GLN   O    O N N 131 
GLN   CB   C N N 132 
GLN   CG   C N N 133 
GLN   CD   C N N 134 
GLN   OE1  O N N 135 
GLN   NE2  N N N 136 
GLN   OXT  O N N 137 
GLN   H    H N N 138 
GLN   H2   H N N 139 
GLN   HA   H N N 140 
GLN   HB2  H N N 141 
GLN   HB3  H N N 142 
GLN   HG2  H N N 143 
GLN   HG3  H N N 144 
GLN   HE21 H N N 145 
GLN   HE22 H N N 146 
GLN   HXT  H N N 147 
GLU   N    N N N 148 
GLU   CA   C N S 149 
GLU   C    C N N 150 
GLU   O    O N N 151 
GLU   CB   C N N 152 
GLU   CG   C N N 153 
GLU   CD   C N N 154 
GLU   OE1  O N N 155 
GLU   OE2  O N N 156 
GLU   OXT  O N N 157 
GLU   H    H N N 158 
GLU   H2   H N N 159 
GLU   HA   H N N 160 
GLU   HB2  H N N 161 
GLU   HB3  H N N 162 
GLU   HG2  H N N 163 
GLU   HG3  H N N 164 
GLU   HE2  H N N 165 
GLU   HXT  H N N 166 
GLY   N    N N N 167 
GLY   CA   C N N 168 
GLY   C    C N N 169 
GLY   O    O N N 170 
GLY   OXT  O N N 171 
GLY   H    H N N 172 
GLY   H2   H N N 173 
GLY   HA2  H N N 174 
GLY   HA3  H N N 175 
GLY   HXT  H N N 176 
GOL   C1   C N N 177 
GOL   O1   O N N 178 
GOL   C2   C N N 179 
GOL   O2   O N N 180 
GOL   C3   C N N 181 
GOL   O3   O N N 182 
GOL   H11  H N N 183 
GOL   H12  H N N 184 
GOL   HO1  H N N 185 
GOL   H2   H N N 186 
GOL   HO2  H N N 187 
GOL   H31  H N N 188 
GOL   H32  H N N 189 
GOL   HO3  H N N 190 
HIS   N    N N N 191 
HIS   CA   C N S 192 
HIS   C    C N N 193 
HIS   O    O N N 194 
HIS   CB   C N N 195 
HIS   CG   C Y N 196 
HIS   ND1  N Y N 197 
HIS   CD2  C Y N 198 
HIS   CE1  C Y N 199 
HIS   NE2  N Y N 200 
HIS   OXT  O N N 201 
HIS   H    H N N 202 
HIS   H2   H N N 203 
HIS   HA   H N N 204 
HIS   HB2  H N N 205 
HIS   HB3  H N N 206 
HIS   HD1  H N N 207 
HIS   HD2  H N N 208 
HIS   HE1  H N N 209 
HIS   HE2  H N N 210 
HIS   HXT  H N N 211 
HOH   O    O N N 212 
HOH   H1   H N N 213 
HOH   H2   H N N 214 
ILE   N    N N N 215 
ILE   CA   C N S 216 
ILE   C    C N N 217 
ILE   O    O N N 218 
ILE   CB   C N S 219 
ILE   CG1  C N N 220 
ILE   CG2  C N N 221 
ILE   CD1  C N N 222 
ILE   OXT  O N N 223 
ILE   H    H N N 224 
ILE   H2   H N N 225 
ILE   HA   H N N 226 
ILE   HB   H N N 227 
ILE   HG12 H N N 228 
ILE   HG13 H N N 229 
ILE   HG21 H N N 230 
ILE   HG22 H N N 231 
ILE   HG23 H N N 232 
ILE   HD11 H N N 233 
ILE   HD12 H N N 234 
ILE   HD13 H N N 235 
ILE   HXT  H N N 236 
LEU   N    N N N 237 
LEU   CA   C N S 238 
LEU   C    C N N 239 
LEU   O    O N N 240 
LEU   CB   C N N 241 
LEU   CG   C N N 242 
LEU   CD1  C N N 243 
LEU   CD2  C N N 244 
LEU   OXT  O N N 245 
LEU   H    H N N 246 
LEU   H2   H N N 247 
LEU   HA   H N N 248 
LEU   HB2  H N N 249 
LEU   HB3  H N N 250 
LEU   HG   H N N 251 
LEU   HD11 H N N 252 
LEU   HD12 H N N 253 
LEU   HD13 H N N 254 
LEU   HD21 H N N 255 
LEU   HD22 H N N 256 
LEU   HD23 H N N 257 
LEU   HXT  H N N 258 
LYS   N    N N N 259 
LYS   CA   C N S 260 
LYS   C    C N N 261 
LYS   O    O N N 262 
LYS   CB   C N N 263 
LYS   CG   C N N 264 
LYS   CD   C N N 265 
LYS   CE   C N N 266 
LYS   NZ   N N N 267 
LYS   OXT  O N N 268 
LYS   H    H N N 269 
LYS   H2   H N N 270 
LYS   HA   H N N 271 
LYS   HB2  H N N 272 
LYS   HB3  H N N 273 
LYS   HG2  H N N 274 
LYS   HG3  H N N 275 
LYS   HD2  H N N 276 
LYS   HD3  H N N 277 
LYS   HE2  H N N 278 
LYS   HE3  H N N 279 
LYS   HZ1  H N N 280 
LYS   HZ2  H N N 281 
LYS   HZ3  H N N 282 
LYS   HXT  H N N 283 
MET   N    N N N 284 
MET   CA   C N S 285 
MET   C    C N N 286 
MET   O    O N N 287 
MET   CB   C N N 288 
MET   CG   C N N 289 
MET   SD   S N N 290 
MET   CE   C N N 291 
MET   OXT  O N N 292 
MET   H    H N N 293 
MET   H2   H N N 294 
MET   HA   H N N 295 
MET   HB2  H N N 296 
MET   HB3  H N N 297 
MET   HG2  H N N 298 
MET   HG3  H N N 299 
MET   HE1  H N N 300 
MET   HE2  H N N 301 
MET   HE3  H N N 302 
MET   HXT  H N N 303 
PHE   N    N N N 304 
PHE   CA   C N S 305 
PHE   C    C N N 306 
PHE   O    O N N 307 
PHE   CB   C N N 308 
PHE   CG   C Y N 309 
PHE   CD1  C Y N 310 
PHE   CD2  C Y N 311 
PHE   CE1  C Y N 312 
PHE   CE2  C Y N 313 
PHE   CZ   C Y N 314 
PHE   OXT  O N N 315 
PHE   H    H N N 316 
PHE   H2   H N N 317 
PHE   HA   H N N 318 
PHE   HB2  H N N 319 
PHE   HB3  H N N 320 
PHE   HD1  H N N 321 
PHE   HD2  H N N 322 
PHE   HE1  H N N 323 
PHE   HE2  H N N 324 
PHE   HZ   H N N 325 
PHE   HXT  H N N 326 
PRO   N    N N N 327 
PRO   CA   C N S 328 
PRO   C    C N N 329 
PRO   O    O N N 330 
PRO   CB   C N N 331 
PRO   CG   C N N 332 
PRO   CD   C N N 333 
PRO   OXT  O N N 334 
PRO   H    H N N 335 
PRO   HA   H N N 336 
PRO   HB2  H N N 337 
PRO   HB3  H N N 338 
PRO   HG2  H N N 339 
PRO   HG3  H N N 340 
PRO   HD2  H N N 341 
PRO   HD3  H N N 342 
PRO   HXT  H N N 343 
SER   N    N N N 344 
SER   CA   C N S 345 
SER   C    C N N 346 
SER   O    O N N 347 
SER   CB   C N N 348 
SER   OG   O N N 349 
SER   OXT  O N N 350 
SER   H    H N N 351 
SER   H2   H N N 352 
SER   HA   H N N 353 
SER   HB2  H N N 354 
SER   HB3  H N N 355 
SER   HG   H N N 356 
SER   HXT  H N N 357 
SO4   S    S N N 358 
SO4   O1   O N N 359 
SO4   O2   O N N 360 
SO4   O3   O N N 361 
SO4   O4   O N N 362 
THR   N    N N N 363 
THR   CA   C N S 364 
THR   C    C N N 365 
THR   O    O N N 366 
THR   CB   C N R 367 
THR   OG1  O N N 368 
THR   CG2  C N N 369 
THR   OXT  O N N 370 
THR   H    H N N 371 
THR   H2   H N N 372 
THR   HA   H N N 373 
THR   HB   H N N 374 
THR   HG1  H N N 375 
THR   HG21 H N N 376 
THR   HG22 H N N 377 
THR   HG23 H N N 378 
THR   HXT  H N N 379 
TRP   N    N N N 380 
TRP   CA   C N S 381 
TRP   C    C N N 382 
TRP   O    O N N 383 
TRP   CB   C N N 384 
TRP   CG   C Y N 385 
TRP   CD1  C Y N 386 
TRP   CD2  C Y N 387 
TRP   NE1  N Y N 388 
TRP   CE2  C Y N 389 
TRP   CE3  C Y N 390 
TRP   CZ2  C Y N 391 
TRP   CZ3  C Y N 392 
TRP   CH2  C Y N 393 
TRP   OXT  O N N 394 
TRP   H    H N N 395 
TRP   H2   H N N 396 
TRP   HA   H N N 397 
TRP   HB2  H N N 398 
TRP   HB3  H N N 399 
TRP   HD1  H N N 400 
TRP   HE1  H N N 401 
TRP   HE3  H N N 402 
TRP   HZ2  H N N 403 
TRP   HZ3  H N N 404 
TRP   HH2  H N N 405 
TRP   HXT  H N N 406 
TYR   N    N N N 407 
TYR   CA   C N S 408 
TYR   C    C N N 409 
TYR   O    O N N 410 
TYR   CB   C N N 411 
TYR   CG   C Y N 412 
TYR   CD1  C Y N 413 
TYR   CD2  C Y N 414 
TYR   CE1  C Y N 415 
TYR   CE2  C Y N 416 
TYR   CZ   C Y N 417 
TYR   OH   O N N 418 
TYR   OXT  O N N 419 
TYR   H    H N N 420 
TYR   H2   H N N 421 
TYR   HA   H N N 422 
TYR   HB2  H N N 423 
TYR   HB3  H N N 424 
TYR   HD1  H N N 425 
TYR   HD2  H N N 426 
TYR   HE1  H N N 427 
TYR   HE2  H N N 428 
TYR   HH   H N N 429 
TYR   HXT  H N N 430 
VAL   N    N N N 431 
VAL   CA   C N S 432 
VAL   C    C N N 433 
VAL   O    O N N 434 
VAL   CB   C N N 435 
VAL   CG1  C N N 436 
VAL   CG2  C N N 437 
VAL   OXT  O N N 438 
VAL   H    H N N 439 
VAL   H2   H N N 440 
VAL   HA   H N N 441 
VAL   HB   H N N 442 
VAL   HG11 H N N 443 
VAL   HG12 H N N 444 
VAL   HG13 H N N 445 
VAL   HG21 H N N 446 
VAL   HG22 H N N 447 
VAL   HG23 H N N 448 
VAL   HXT  H N N 449 
# 
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 
A1IWF C1  C2   sing N N 1   
A1IWF C3  C2   sing N N 2   
A1IWF C2  C11  sing N N 3   
A1IWF C2  O2   sing N N 4   
A1IWF O1  C3   sing N N 5   
A1IWF C4  O1   sing N N 6   
A1IWF C5  C4   sing N N 7   
A1IWF C5  C6   doub Y N 8   
A1IWF C10 C5   sing Y N 9   
A1IWF F1  C6   sing N N 10  
A1IWF C6  C7   sing Y N 11  
A1IWF C7  C8   doub Y N 12  
A1IWF C8  C9   sing Y N 13  
A1IWF C9  C10  doub Y N 14  
A1IWF F2  C10  sing N N 15  
A1IWF C11 C12  sing N N 16  
A1IWF N1  C12  doub N N 17  
A1IWF C12 C13  sing N N 18  
A1IWF O2  N1   sing N N 19  
A1IWF C13 C14  doub Y N 20  
A1IWF C13 C18  sing Y N 21  
A1IWF C14 C15  sing Y N 22  
A1IWF C15 C16  doub Y N 23  
A1IWF C16 C17  sing Y N 24  
A1IWF C17 C18  doub Y N 25  
A1IWF C18 F3   sing N N 26  
A1IWF C1  H1   sing N N 27  
A1IWF C1  H3   sing N N 28  
A1IWF C1  H2   sing N N 29  
A1IWF C3  H4   sing N N 30  
A1IWF C3  H5   sing N N 31  
A1IWF C4  H7   sing N N 32  
A1IWF C4  H6   sing N N 33  
A1IWF C7  H8   sing N N 34  
A1IWF C8  H9   sing N N 35  
A1IWF C9  H10  sing N N 36  
A1IWF C11 H12  sing N N 37  
A1IWF C11 H11  sing N N 38  
A1IWF C14 H13  sing N N 39  
A1IWF C15 H14  sing N N 40  
A1IWF C16 H15  sing N N 41  
A1IWF C17 H16  sing N N 42  
ALA   N   CA   sing N N 43  
ALA   N   H    sing N N 44  
ALA   N   H2   sing N N 45  
ALA   CA  C    sing N N 46  
ALA   CA  CB   sing N N 47  
ALA   CA  HA   sing N N 48  
ALA   C   O    doub N N 49  
ALA   C   OXT  sing N N 50  
ALA   CB  HB1  sing N N 51  
ALA   CB  HB2  sing N N 52  
ALA   CB  HB3  sing N N 53  
ALA   OXT HXT  sing N N 54  
ARG   N   CA   sing N N 55  
ARG   N   H    sing N N 56  
ARG   N   H2   sing N N 57  
ARG   CA  C    sing N N 58  
ARG   CA  CB   sing N N 59  
ARG   CA  HA   sing N N 60  
ARG   C   O    doub N N 61  
ARG   C   OXT  sing N N 62  
ARG   CB  CG   sing N N 63  
ARG   CB  HB2  sing N N 64  
ARG   CB  HB3  sing N N 65  
ARG   CG  CD   sing N N 66  
ARG   CG  HG2  sing N N 67  
ARG   CG  HG3  sing N N 68  
ARG   CD  NE   sing N N 69  
ARG   CD  HD2  sing N N 70  
ARG   CD  HD3  sing N N 71  
ARG   NE  CZ   sing N N 72  
ARG   NE  HE   sing N N 73  
ARG   CZ  NH1  sing N N 74  
ARG   CZ  NH2  doub N N 75  
ARG   NH1 HH11 sing N N 76  
ARG   NH1 HH12 sing N N 77  
ARG   NH2 HH21 sing N N 78  
ARG   NH2 HH22 sing N N 79  
ARG   OXT HXT  sing N N 80  
ASN   N   CA   sing N N 81  
ASN   N   H    sing N N 82  
ASN   N   H2   sing N N 83  
ASN   CA  C    sing N N 84  
ASN   CA  CB   sing N N 85  
ASN   CA  HA   sing N N 86  
ASN   C   O    doub N N 87  
ASN   C   OXT  sing N N 88  
ASN   CB  CG   sing N N 89  
ASN   CB  HB2  sing N N 90  
ASN   CB  HB3  sing N N 91  
ASN   CG  OD1  doub N N 92  
ASN   CG  ND2  sing N N 93  
ASN   ND2 HD21 sing N N 94  
ASN   ND2 HD22 sing N N 95  
ASN   OXT HXT  sing N N 96  
ASP   N   CA   sing N N 97  
ASP   N   H    sing N N 98  
ASP   N   H2   sing N N 99  
ASP   CA  C    sing N N 100 
ASP   CA  CB   sing N N 101 
ASP   CA  HA   sing N N 102 
ASP   C   O    doub N N 103 
ASP   C   OXT  sing N N 104 
ASP   CB  CG   sing N N 105 
ASP   CB  HB2  sing N N 106 
ASP   CB  HB3  sing N N 107 
ASP   CG  OD1  doub N N 108 
ASP   CG  OD2  sing N N 109 
ASP   OD2 HD2  sing N N 110 
ASP   OXT HXT  sing N N 111 
CYS   N   CA   sing N N 112 
CYS   N   H    sing N N 113 
CYS   N   H2   sing N N 114 
CYS   CA  C    sing N N 115 
CYS   CA  CB   sing N N 116 
CYS   CA  HA   sing N N 117 
CYS   C   O    doub N N 118 
CYS   C   OXT  sing N N 119 
CYS   CB  SG   sing N N 120 
CYS   CB  HB2  sing N N 121 
CYS   CB  HB3  sing N N 122 
CYS   SG  HG   sing N N 123 
CYS   OXT HXT  sing N N 124 
GLN   N   CA   sing N N 125 
GLN   N   H    sing N N 126 
GLN   N   H2   sing N N 127 
GLN   CA  C    sing N N 128 
GLN   CA  CB   sing N N 129 
GLN   CA  HA   sing N N 130 
GLN   C   O    doub N N 131 
GLN   C   OXT  sing N N 132 
GLN   CB  CG   sing N N 133 
GLN   CB  HB2  sing N N 134 
GLN   CB  HB3  sing N N 135 
GLN   CG  CD   sing N N 136 
GLN   CG  HG2  sing N N 137 
GLN   CG  HG3  sing N N 138 
GLN   CD  OE1  doub N N 139 
GLN   CD  NE2  sing N N 140 
GLN   NE2 HE21 sing N N 141 
GLN   NE2 HE22 sing N N 142 
GLN   OXT HXT  sing N N 143 
GLU   N   CA   sing N N 144 
GLU   N   H    sing N N 145 
GLU   N   H2   sing N N 146 
GLU   CA  C    sing N N 147 
GLU   CA  CB   sing N N 148 
GLU   CA  HA   sing N N 149 
GLU   C   O    doub N N 150 
GLU   C   OXT  sing N N 151 
GLU   CB  CG   sing N N 152 
GLU   CB  HB2  sing N N 153 
GLU   CB  HB3  sing N N 154 
GLU   CG  CD   sing N N 155 
GLU   CG  HG2  sing N N 156 
GLU   CG  HG3  sing N N 157 
GLU   CD  OE1  doub N N 158 
GLU   CD  OE2  sing N N 159 
GLU   OE2 HE2  sing N N 160 
GLU   OXT HXT  sing N N 161 
GLY   N   CA   sing N N 162 
GLY   N   H    sing N N 163 
GLY   N   H2   sing N N 164 
GLY   CA  C    sing N N 165 
GLY   CA  HA2  sing N N 166 
GLY   CA  HA3  sing N N 167 
GLY   C   O    doub N N 168 
GLY   C   OXT  sing N N 169 
GLY   OXT HXT  sing N N 170 
GOL   C1  O1   sing N N 171 
GOL   C1  C2   sing N N 172 
GOL   C1  H11  sing N N 173 
GOL   C1  H12  sing N N 174 
GOL   O1  HO1  sing N N 175 
GOL   C2  O2   sing N N 176 
GOL   C2  C3   sing N N 177 
GOL   C2  H2   sing N N 178 
GOL   O2  HO2  sing N N 179 
GOL   C3  O3   sing N N 180 
GOL   C3  H31  sing N N 181 
GOL   C3  H32  sing N N 182 
GOL   O3  HO3  sing N N 183 
HIS   N   CA   sing N N 184 
HIS   N   H    sing N N 185 
HIS   N   H2   sing N N 186 
HIS   CA  C    sing N N 187 
HIS   CA  CB   sing N N 188 
HIS   CA  HA   sing N N 189 
HIS   C   O    doub N N 190 
HIS   C   OXT  sing N N 191 
HIS   CB  CG   sing N N 192 
HIS   CB  HB2  sing N N 193 
HIS   CB  HB3  sing N N 194 
HIS   CG  ND1  sing Y N 195 
HIS   CG  CD2  doub Y N 196 
HIS   ND1 CE1  doub Y N 197 
HIS   ND1 HD1  sing N N 198 
HIS   CD2 NE2  sing Y N 199 
HIS   CD2 HD2  sing N N 200 
HIS   CE1 NE2  sing Y N 201 
HIS   CE1 HE1  sing N N 202 
HIS   NE2 HE2  sing N N 203 
HIS   OXT HXT  sing N N 204 
HOH   O   H1   sing N N 205 
HOH   O   H2   sing N N 206 
ILE   N   CA   sing N N 207 
ILE   N   H    sing N N 208 
ILE   N   H2   sing N N 209 
ILE   CA  C    sing N N 210 
ILE   CA  CB   sing N N 211 
ILE   CA  HA   sing N N 212 
ILE   C   O    doub N N 213 
ILE   C   OXT  sing N N 214 
ILE   CB  CG1  sing N N 215 
ILE   CB  CG2  sing N N 216 
ILE   CB  HB   sing N N 217 
ILE   CG1 CD1  sing N N 218 
ILE   CG1 HG12 sing N N 219 
ILE   CG1 HG13 sing N N 220 
ILE   CG2 HG21 sing N N 221 
ILE   CG2 HG22 sing N N 222 
ILE   CG2 HG23 sing N N 223 
ILE   CD1 HD11 sing N N 224 
ILE   CD1 HD12 sing N N 225 
ILE   CD1 HD13 sing N N 226 
ILE   OXT HXT  sing N N 227 
LEU   N   CA   sing N N 228 
LEU   N   H    sing N N 229 
LEU   N   H2   sing N N 230 
LEU   CA  C    sing N N 231 
LEU   CA  CB   sing N N 232 
LEU   CA  HA   sing N N 233 
LEU   C   O    doub N N 234 
LEU   C   OXT  sing N N 235 
LEU   CB  CG   sing N N 236 
LEU   CB  HB2  sing N N 237 
LEU   CB  HB3  sing N N 238 
LEU   CG  CD1  sing N N 239 
LEU   CG  CD2  sing N N 240 
LEU   CG  HG   sing N N 241 
LEU   CD1 HD11 sing N N 242 
LEU   CD1 HD12 sing N N 243 
LEU   CD1 HD13 sing N N 244 
LEU   CD2 HD21 sing N N 245 
LEU   CD2 HD22 sing N N 246 
LEU   CD2 HD23 sing N N 247 
LEU   OXT HXT  sing N N 248 
LYS   N   CA   sing N N 249 
LYS   N   H    sing N N 250 
LYS   N   H2   sing N N 251 
LYS   CA  C    sing N N 252 
LYS   CA  CB   sing N N 253 
LYS   CA  HA   sing N N 254 
LYS   C   O    doub N N 255 
LYS   C   OXT  sing N N 256 
LYS   CB  CG   sing N N 257 
LYS   CB  HB2  sing N N 258 
LYS   CB  HB3  sing N N 259 
LYS   CG  CD   sing N N 260 
LYS   CG  HG2  sing N N 261 
LYS   CG  HG3  sing N N 262 
LYS   CD  CE   sing N N 263 
LYS   CD  HD2  sing N N 264 
LYS   CD  HD3  sing N N 265 
LYS   CE  NZ   sing N N 266 
LYS   CE  HE2  sing N N 267 
LYS   CE  HE3  sing N N 268 
LYS   NZ  HZ1  sing N N 269 
LYS   NZ  HZ2  sing N N 270 
LYS   NZ  HZ3  sing N N 271 
LYS   OXT HXT  sing N N 272 
MET   N   CA   sing N N 273 
MET   N   H    sing N N 274 
MET   N   H2   sing N N 275 
MET   CA  C    sing N N 276 
MET   CA  CB   sing N N 277 
MET   CA  HA   sing N N 278 
MET   C   O    doub N N 279 
MET   C   OXT  sing N N 280 
MET   CB  CG   sing N N 281 
MET   CB  HB2  sing N N 282 
MET   CB  HB3  sing N N 283 
MET   CG  SD   sing N N 284 
MET   CG  HG2  sing N N 285 
MET   CG  HG3  sing N N 286 
MET   SD  CE   sing N N 287 
MET   CE  HE1  sing N N 288 
MET   CE  HE2  sing N N 289 
MET   CE  HE3  sing N N 290 
MET   OXT HXT  sing N N 291 
PHE   N   CA   sing N N 292 
PHE   N   H    sing N N 293 
PHE   N   H2   sing N N 294 
PHE   CA  C    sing N N 295 
PHE   CA  CB   sing N N 296 
PHE   CA  HA   sing N N 297 
PHE   C   O    doub N N 298 
PHE   C   OXT  sing N N 299 
PHE   CB  CG   sing N N 300 
PHE   CB  HB2  sing N N 301 
PHE   CB  HB3  sing N N 302 
PHE   CG  CD1  doub Y N 303 
PHE   CG  CD2  sing Y N 304 
PHE   CD1 CE1  sing Y N 305 
PHE   CD1 HD1  sing N N 306 
PHE   CD2 CE2  doub Y N 307 
PHE   CD2 HD2  sing N N 308 
PHE   CE1 CZ   doub Y N 309 
PHE   CE1 HE1  sing N N 310 
PHE   CE2 CZ   sing Y N 311 
PHE   CE2 HE2  sing N N 312 
PHE   CZ  HZ   sing N N 313 
PHE   OXT HXT  sing N N 314 
PRO   N   CA   sing N N 315 
PRO   N   CD   sing N N 316 
PRO   N   H    sing N N 317 
PRO   CA  C    sing N N 318 
PRO   CA  CB   sing N N 319 
PRO   CA  HA   sing N N 320 
PRO   C   O    doub N N 321 
PRO   C   OXT  sing N N 322 
PRO   CB  CG   sing N N 323 
PRO   CB  HB2  sing N N 324 
PRO   CB  HB3  sing N N 325 
PRO   CG  CD   sing N N 326 
PRO   CG  HG2  sing N N 327 
PRO   CG  HG3  sing N N 328 
PRO   CD  HD2  sing N N 329 
PRO   CD  HD3  sing N N 330 
PRO   OXT HXT  sing N N 331 
SER   N   CA   sing N N 332 
SER   N   H    sing N N 333 
SER   N   H2   sing N N 334 
SER   CA  C    sing N N 335 
SER   CA  CB   sing N N 336 
SER   CA  HA   sing N N 337 
SER   C   O    doub N N 338 
SER   C   OXT  sing N N 339 
SER   CB  OG   sing N N 340 
SER   CB  HB2  sing N N 341 
SER   CB  HB3  sing N N 342 
SER   OG  HG   sing N N 343 
SER   OXT HXT  sing N N 344 
SO4   S   O1   doub N N 345 
SO4   S   O2   doub N N 346 
SO4   S   O3   sing N N 347 
SO4   S   O4   sing N N 348 
THR   N   CA   sing N N 349 
THR   N   H    sing N N 350 
THR   N   H2   sing N N 351 
THR   CA  C    sing N N 352 
THR   CA  CB   sing N N 353 
THR   CA  HA   sing N N 354 
THR   C   O    doub N N 355 
THR   C   OXT  sing N N 356 
THR   CB  OG1  sing N N 357 
THR   CB  CG2  sing N N 358 
THR   CB  HB   sing N N 359 
THR   OG1 HG1  sing N N 360 
THR   CG2 HG21 sing N N 361 
THR   CG2 HG22 sing N N 362 
THR   CG2 HG23 sing N N 363 
THR   OXT HXT  sing N N 364 
TRP   N   CA   sing N N 365 
TRP   N   H    sing N N 366 
TRP   N   H2   sing N N 367 
TRP   CA  C    sing N N 368 
TRP   CA  CB   sing N N 369 
TRP   CA  HA   sing N N 370 
TRP   C   O    doub N N 371 
TRP   C   OXT  sing N N 372 
TRP   CB  CG   sing N N 373 
TRP   CB  HB2  sing N N 374 
TRP   CB  HB3  sing N N 375 
TRP   CG  CD1  doub Y N 376 
TRP   CG  CD2  sing Y N 377 
TRP   CD1 NE1  sing Y N 378 
TRP   CD1 HD1  sing N N 379 
TRP   CD2 CE2  doub Y N 380 
TRP   CD2 CE3  sing Y N 381 
TRP   NE1 CE2  sing Y N 382 
TRP   NE1 HE1  sing N N 383 
TRP   CE2 CZ2  sing Y N 384 
TRP   CE3 CZ3  doub Y N 385 
TRP   CE3 HE3  sing N N 386 
TRP   CZ2 CH2  doub Y N 387 
TRP   CZ2 HZ2  sing N N 388 
TRP   CZ3 CH2  sing Y N 389 
TRP   CZ3 HZ3  sing N N 390 
TRP   CH2 HH2  sing N N 391 
TRP   OXT HXT  sing N N 392 
TYR   N   CA   sing N N 393 
TYR   N   H    sing N N 394 
TYR   N   H2   sing N N 395 
TYR   CA  C    sing N N 396 
TYR   CA  CB   sing N N 397 
TYR   CA  HA   sing N N 398 
TYR   C   O    doub N N 399 
TYR   C   OXT  sing N N 400 
TYR   CB  CG   sing N N 401 
TYR   CB  HB2  sing N N 402 
TYR   CB  HB3  sing N N 403 
TYR   CG  CD1  doub Y N 404 
TYR   CG  CD2  sing Y N 405 
TYR   CD1 CE1  sing Y N 406 
TYR   CD1 HD1  sing N N 407 
TYR   CD2 CE2  doub Y N 408 
TYR   CD2 HD2  sing N N 409 
TYR   CE1 CZ   doub Y N 410 
TYR   CE1 HE1  sing N N 411 
TYR   CE2 CZ   sing Y N 412 
TYR   CE2 HE2  sing N N 413 
TYR   CZ  OH   sing N N 414 
TYR   OH  HH   sing N N 415 
TYR   OXT HXT  sing N N 416 
VAL   N   CA   sing N N 417 
VAL   N   H    sing N N 418 
VAL   N   H2   sing N N 419 
VAL   CA  C    sing N N 420 
VAL   CA  CB   sing N N 421 
VAL   CA  HA   sing N N 422 
VAL   C   O    doub N N 423 
VAL   C   OXT  sing N N 424 
VAL   CB  CG1  sing N N 425 
VAL   CB  CG2  sing N N 426 
VAL   CB  HB   sing N N 427 
VAL   CG1 HG11 sing N N 428 
VAL   CG1 HG12 sing N N 429 
VAL   CG1 HG13 sing N N 430 
VAL   CG2 HG21 sing N N 431 
VAL   CG2 HG22 sing N N 432 
VAL   CG2 HG23 sing N N 433 
VAL   OXT HXT  sing N N 434 
# 
_pdbx_audit_support.funding_organization   'Other private' 
_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   9GRR 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9HMT 
_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]   0.010274 
_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]   0.010274 
_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]   0.008004 
_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  2.310  20.844 1.020 10.208 1.589 0.569  0.865 51.651 0.216   
F 9  9  3.539  10.282 2.641 4.294  1.517 0.262  1.024 26.148 0.304   
H 1  1  0.493  10.511 0.323 26.126 0.140 3.142  0.041 57.800 0.003   
N 7  7  12.222 0.006  3.135 9.893  2.014 28.997 1.167 0.583  -11.538 
O 8  8  3.049  13.277 2.287 5.701  1.546 0.324  0.867 32.909 0.251   
S 16 16 6.905  1.468  5.203 22.215 1.438 0.254  1.586 56.172 1.049   
# 
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   . GLY   A 1 2   ? -27.774 -15.055 -25.139 1.000 23.267 ? 75  GLY   AaA N   1 ? 
ATOM   2    C CA  . GLY   A 1 2   ? -27.875 -15.045 -23.651 1.000 20.490 ? 75  GLY   AaA CA  1 ? 
ATOM   3    C C   . GLY   A 1 2   ? -27.705 -13.650 -23.100 1.000 22.182 ? 75  GLY   AaA C   1 ? 
ATOM   4    O O   . GLY   A 1 2   ? -27.427 -12.712 -23.865 1.000 23.440 ? 75  GLY   AaA O   1 ? 
ATOM   5    N N   . SER   A 1 3   ? -27.840 -13.525 -21.797 1.000 20.809 ? 76  SER   AaA N   1 ? 
ATOM   6    C CA  . SER   A 1 3   ? -27.731 -12.202 -21.157 1.000 22.153 ? 76  SER   AaA CA  1 ? 
ATOM   7    C C   . SER   A 1 3   ? -27.562 -12.354 -19.650 1.000 20.838 ? 76  SER   AaA C   1 ? 
ATOM   8    O O   . SER   A 1 3   ? -27.995 -13.344 -19.045 1.000 19.387 ? 76  SER   AaA O   1 ? 
ATOM   9    C CB  . SER   A 1 3   ? -28.919 -11.349 -21.500 1.000 26.414 ? 76  SER   AaA CB  1 ? 
ATOM   10   O OG  . SER   A 1 3   ? -30.099 -11.895 -20.953 1.000 31.542 ? 76  SER   AaA OG  1 ? 
ATOM   11   N N   . LEU   A 1 4   ? -27.016 -11.299 -19.064 1.000 21.698 ? 77  LEU   AaA N   1 ? 
ATOM   12   C CA  . LEU   A 1 4   ? -27.016 -11.184 -17.596 1.000 20.001 ? 77  LEU   AaA CA  1 ? 
ATOM   13   C C   . LEU   A 1 4   ? -28.434 -11.094 -17.087 1.000 21.940 ? 77  LEU   AaA C   1 ? 
ATOM   14   O O   . LEU   A 1 4   ? -29.307 -10.503 -17.772 1.000 24.334 ? 77  LEU   AaA O   1 ? 
ATOM   15   C CB  . LEU   A 1 4   ? -26.253 -9.927  -17.181 1.000 21.259 ? 77  LEU   AaA CB  1 ? 
ATOM   16   C CG  . LEU   A 1 4   ? -24.749 -9.958  -17.370 1.000 20.933 ? 77  LEU   AaA CG  1 ? 
ATOM   17   C CD1 . LEU   A 1 4   ? -24.143 -8.562  -17.219 1.000 23.938 ? 77  LEU   AaA CD1 1 ? 
ATOM   18   C CD2 . LEU   A 1 4   ? -24.114 -10.926 -16.384 1.000 19.631 ? 77  LEU   AaA CD2 1 ? 
ATOM   19   N N   . THR   A 1 5   ? -28.642 -11.565 -15.874 1.000 21.748 ? 78  THR   AaA N   1 ? 
ATOM   20   C CA  . THR   A 1 5   ? -29.910 -11.431 -15.139 1.000 24.574 ? 78  THR   AaA CA  1 ? 
ATOM   21   C C   . THR   A 1 5   ? -29.988 -9.990  -14.645 1.000 25.466 ? 78  THR   AaA C   1 ? 
ATOM   22   O O   . THR   A 1 5   ? -29.009 -9.244  -14.793 1.000 23.606 ? 78  THR   AaA O   1 ? 
ATOM   23   C CB  . THR   A 1 5   ? -30.017 -12.530 -14.088 1.000 25.503 ? 78  THR   AaA CB  1 ? 
ATOM   24   O OG1 . THR   A 1 5   ? -28.942 -12.300 -13.174 1.000 26.758 ? 78  THR   AaA OG1 1 ? 
ATOM   25   C CG2 . THR   A 1 5   ? -29.969 -13.896 -14.723 1.000 26.993 ? 78  THR   AaA CG2 1 ? 
ATOM   26   N N   . GLU   A 1 6   ? -31.171 -9.596  -14.199 1.000 30.551 ? 79  GLU   AaA N   1 ? 
ATOM   27   C CA  . GLU   A 1 6   ? -31.473 -8.180  -13.883 1.000 33.195 ? 79  GLU   AaA CA  1 ? 
ATOM   28   C C   . GLU   A 1 6   ? -30.428 -7.655  -12.879 1.000 30.110 ? 79  GLU   AaA C   1 ? 
ATOM   29   O O   . GLU   A 1 6   ? -29.954 -6.523  -13.076 1.000 32.258 ? 79  GLU   AaA O   1 ? 
ATOM   30   C CB  . GLU   A 1 6   ? -32.929 -8.098  -13.418 1.000 38.881 ? 79  GLU   AaA CB  1 ? 
ATOM   31   C CG  . GLU   A 1 6   ? -33.327 -6.758  -12.834 1.000 44.701 ? 79  GLU   AaA CG  1 ? 
ATOM   32   C CD  . GLU   A 1 6   ? -33.347 -5.590  -13.808 1.000 48.382 ? 79  GLU   AaA CD  1 ? 
ATOM   33   O OE1 . GLU   A 1 6   ? -33.561 -4.447  -13.339 1.000 54.387 ? 79  GLU   AaA OE1 1 ? 
ATOM   34   O OE2 . GLU   A 1 6   ? -33.166 -5.815  -15.033 1.000 49.556 ? 79  GLU   AaA OE2 1 ? 
ATOM   35   N N   . ASP   A 1 7   ? -29.984 -8.460  -11.909 1.000 25.856 ? 80  ASP   AaA N   1 ? 
ATOM   36   C CA  . ASP   A 1 7   ? -29.025 -7.965  -10.887 1.000 23.865 ? 80  ASP   AaA CA  1 ? 
ATOM   37   C C   . ASP   A 1 7   ? -27.565 -8.024  -11.364 1.000 21.726 ? 80  ASP   AaA C   1 ? 
ATOM   38   O O   . ASP   A 1 7   ? -26.693 -7.569  -10.644 1.000 20.881 ? 80  ASP   AaA O   1 ? 
ATOM   39   C CB  . ASP   A 1 7   ? -29.188 -8.707  -9.563  1.000 22.994 ? 80  ASP   AaA CB  1 ? 
ATOM   40   C CG  . ASP   A 1 7   ? -28.742 -10.168 -9.537  1.000 24.332 ? 80  ASP   AaA CG  1 ? 
ATOM   41   O OD1 . ASP   A 1 7   ? -28.264 -10.676 -10.586 1.000 24.179 ? 80  ASP   AaA OD1 1 ? 
ATOM   42   O OD2 . ASP   A 1 7   ? -28.881 -10.792 -8.464  1.000 27.478 ? 80  ASP   AaA OD2 1 ? 
ATOM   43   N N   . GLY   A 1 8   ? -27.283 -8.569  -12.541 1.000 20.225 ? 81  GLY   AaA N   1 ? 
ATOM   44   C CA  . GLY   A 1 8   ? -25.916 -8.558  -13.074 1.000 18.549 ? 81  GLY   AaA CA  1 ? 
ATOM   45   C C   . GLY   A 1 8   ? -25.020 -9.640  -12.473 1.000 17.243 ? 81  GLY   AaA C   1 ? 
ATOM   46   O O   . GLY   A 1 8   ? -23.819 -9.583  -12.764 1.000 18.568 ? 81  GLY   AaA O   1 ? 
ATOM   47   N N   . LEU   A 1 9   ? -25.565 -10.543 -11.652 1.000 16.254 ? 82  LEU   AaA N   1 ? 
ATOM   48   C CA  . LEU   A 1 9   ? -24.738 -11.513 -10.878 1.000 16.569 ? 82  LEU   AaA CA  1 ? 
ATOM   49   C C   . LEU   A 1 9   ? -24.896 -12.955 -11.364 1.000 17.012 ? 82  LEU   AaA C   1 ? 
ATOM   50   O O   . LEU   A 1 9   ? -24.285 -13.854 -10.757 1.000 16.052 ? 82  LEU   AaA O   1 ? 
ATOM   51   C CB  . LEU   A 1 9   ? -25.035 -11.398 -9.388  1.000 17.786 ? 82  LEU   AaA CB  1 ? 
ATOM   52   C CG  . LEU   A 1 9   ? -24.713 -10.039 -8.776  1.000 18.307 ? 82  LEU   AaA CG  1 ? 
ATOM   53   C CD1 . LEU   A 1 9   ? -25.115 -10.068 -7.316  1.000 19.858 ? 82  LEU   AaA CD1 1 ? 
ATOM   54   C CD2 . LEU   A 1 9   ? -23.245 -9.670  -8.947  1.000 18.020 ? 82  LEU   AaA CD2 1 ? 
ATOM   55   N N   . SER   A 1 10  ? -25.605 -13.164 -12.455 1.000 15.993 ? 83  SER   AaA N   1 ? 
ATOM   56   C CA  . SER   A 1 10  ? -25.617 -14.491 -13.110 1.000 16.217 ? 83  SER   AaA CA  1 ? 
ATOM   57   C C   . SER   A 1 10  ? -25.978 -14.271 -14.562 1.000 16.159 ? 83  SER   AaA C   1 ? 
ATOM   58   O O   . SER   A 1 10  ? -26.329 -13.156 -14.952 1.000 17.977 ? 83  SER   AaA O   1 ? 
ATOM   59   C CB  . SER   A 1 10  ? -26.554 -15.452 -12.445 1.000 18.286 ? 83  SER   AaA CB  1 ? 
ATOM   60   O OG  . SER   A 1 10  ? -27.891 -15.023 -12.599 1.000 19.217 ? 83  SER   AaA OG  1 ? 
ATOM   61   N N   . TYR   A 1 11  ? -25.867 -15.329 -15.343 1.000 16.590 ? 84  TYR   AaA N   1 ? 
ATOM   62   C CA  . TYR   A 1 11  ? -25.993 -15.246 -16.805 1.000 16.365 ? 84  TYR   AaA CA  1 ? 
ATOM   63   C C   . TYR   A 1 11  ? -26.801 -16.438 -17.272 1.000 16.238 ? 84  TYR   AaA C   1 ? 
ATOM   64   O O   . TYR   A 1 11  ? -26.598 -17.571 -16.777 1.000 16.302 ? 84  TYR   AaA O   1 ? 
ATOM   65   C CB  . TYR   A 1 11  ? -24.608 -15.227 -17.421 1.000 16.088 ? 84  TYR   AaA CB  1 ? 
ATOM   66   C CG  . TYR   A 1 11  ? -24.576 -14.996 -18.902 1.000 17.839 ? 84  TYR   AaA CG  1 ? 
ATOM   67   C CD1 . TYR   A 1 11  ? -24.512 -13.717 -19.423 1.000 19.303 ? 84  TYR   AaA CD1 1 ? 
ATOM   68   C CD2 . TYR   A 1 11  ? -24.608 -16.046 -19.789 1.000 16.516 ? 84  TYR   AaA CD2 1 ? 
ATOM   69   C CE1 . TYR   A 1 11  ? -24.491 -13.493 -20.790 1.000 20.089 ? 84  TYR   AaA CE1 1 ? 
ATOM   70   C CE2 . TYR   A 1 11  ? -24.588 -15.842 -21.156 1.000 18.321 ? 84  TYR   AaA CE2 1 ? 
ATOM   71   C CZ  . TYR   A 1 11  ? -24.513 -14.562 -21.660 1.000 18.660 ? 84  TYR   AaA CZ  1 ? 
ATOM   72   O OH  . TYR   A 1 11  ? -24.476 -14.350 -23.021 1.000 21.599 ? 84  TYR   AaA OH  1 ? 
ATOM   73   N N   . LYS   A 1 12  ? -27.698 -16.189 -18.217 1.000 15.755 ? 85  LYS   AaA N   1 ? 
ATOM   74   C CA  . LYS   A 1 12  ? -28.551 -17.248 -18.773 1.000 15.888 ? 85  LYS   AaA CA  1 ? 
ATOM   75   C C   . LYS   A 1 12  ? -28.384 -17.299 -20.274 1.000 16.387 ? 85  LYS   AaA C   1 ? 
ATOM   76   O O   . LYS   A 1 12  ? -28.325 -16.257 -20.914 1.000 18.018 ? 85  LYS   AaA O   1 ? 
ATOM   77   C CB  . LYS   A 1 12  ? -30.021 -16.971 -18.459 1.000 17.326 ? 85  LYS   AaA CB  1 ? 
ATOM   78   C CG  . LYS   A 1 12  ? -30.416 -17.120 -17.001 1.000 19.468 ? 85  LYS   AaA CG  1 ? 
ATOM   79   C CD  . LYS   A 1 12  ? -31.900 -16.847 -16.766 1.000 21.642 ? 85  LYS   AaA CD  1 ? 
ATOM   80   C CE  . LYS   A 1 12  ? -32.278 -17.066 -15.322 1.000 25.007 ? 85  LYS   AaA CE  1 ? 
ATOM   81   N NZ  . LYS   A 1 12  ? -33.705 -16.729 -15.089 1.000 29.158 ? 85  LYS   AaA NZ  1 ? 
ATOM   82   N N   . GLU   A 1 13  ? -28.375 -18.518 -20.797 1.000 15.461 ? 86  GLU   AaA N   1 ? 
ATOM   83   C CA  . GLU   A 1 13  ? -28.311 -18.710 -22.259 1.000 16.012 ? 86  GLU   AaA CA  1 ? 
ATOM   84   C C   . GLU   A 1 13  ? -29.125 -19.939 -22.631 1.000 15.952 ? 86  GLU   AaA C   1 ? 
ATOM   85   O O   . GLU   A 1 13  ? -29.142 -20.914 -21.898 1.000 16.594 ? 86  GLU   AaA O   1 ? 
ATOM   86   C CB  . GLU   A 1 13  ? -26.862 -18.881 -22.694 1.000 16.667 ? 86  GLU   AaA CB  1 ? 
ATOM   87   C CG  . GLU   A 1 13  ? -26.660 -18.969 -24.195 1.000 17.194 ? 86  GLU   AaA CG  1 ? 
ATOM   88   C CD  . GLU   A 1 13  ? -25.219 -18.918 -24.631 1.000 19.831 ? 86  GLU   AaA CD  1 ? 
ATOM   89   O OE1 . GLU   A 1 13  ? -24.341 -18.682 -23.768 1.000 20.839 ? 86  GLU   AaA OE1 1 ? 
ATOM   90   O OE2 . GLU   A 1 13  ? -24.973 -19.082 -25.851 1.000 21.564 ? 86  GLU   AaA OE2 1 ? 
ATOM   91   N N   . LYS   A 1 14  ? -29.795 -19.835 -23.773 1.000 16.440 ? 87  LYS   AaA N   1 ? 
ATOM   92   C CA  . LYS   A 1 14  ? -30.531 -20.972 -24.342 1.000 16.600 ? 87  LYS   AaA CA  1 ? 
ATOM   93   C C   . LYS   A 1 14  ? -29.733 -21.557 -25.497 1.000 15.147 ? 87  LYS   AaA C   1 ? 
ATOM   94   O O   . LYS   A 1 14  ? -29.141 -20.813 -26.281 1.000 17.868 ? 87  LYS   AaA O   1 ? 
ATOM   95   C CB  . LYS   A 1 14  ? -31.896 -20.507 -24.850 1.000 18.150 ? 87  LYS   AaA CB  1 ? 
ATOM   96   C CG  . LYS   A 1 14  ? -32.843 -20.094 -23.749 1.000 20.960 ? 87  LYS   AaA CG  1 ? 
ATOM   97   C CD  . LYS   A 1 14  ? -34.136 -19.498 -24.275 1.000 25.049 ? 87  LYS   AaA CD  1 ? 
ATOM   98   C CE  . LYS   A 1 14  ? -35.063 -19.156 -23.135 1.000 30.380 ? 87  LYS   AaA CE  1 ? 
ATOM   99   N NZ  . LYS   A 1 14  ? -36.293 -18.506 -23.639 1.000 35.220 ? 87  LYS   AaA NZ  1 ? 
ATOM   100  N N   . PHE   A 1 15  ? -29.799 -22.869 -25.599 1.000 15.204 ? 88  PHE   AaA N   1 ? 
ATOM   101  C CA  . PHE   A 1 15  ? -29.143 -23.615 -26.680 1.000 14.973 ? 88  PHE   AaA CA  1 ? 
ATOM   102  C C   . PHE   A 1 15  ? -30.156 -24.571 -27.272 1.000 15.167 ? 88  PHE   AaA C   1 ? 
ATOM   103  O O   . PHE   A 1 15  ? -30.872 -25.230 -26.525 1.000 16.245 ? 88  PHE   AaA O   1 ? 
ATOM   104  C CB  . PHE   A 1 15  ? -27.969 -24.426 -26.116 1.000 15.308 ? 88  PHE   AaA CB  1 ? 
ATOM   105  C CG  . PHE   A 1 15  ? -26.889 -23.621 -25.446 1.000 14.917 ? 88  PHE   AaA CG  1 ? 
ATOM   106  C CD1 . PHE   A 1 15  ? -25.898 -23.039 -26.205 1.000 16.643 ? 88  PHE   AaA CD1 1 ? 
ATOM   107  C CD2 . PHE   A 1 15  ? -26.862 -23.449 -24.075 1.000 15.956 ? 88  PHE   AaA CD2 1 ? 
ATOM   108  C CE1 . PHE   A 1 15  ? -24.873 -22.325 -25.613 1.000 16.677 ? 88  PHE   AaA CE1 1 ? 
ATOM   109  C CE2 . PHE   A 1 15  ? -25.858 -22.694 -23.497 1.000 17.117 ? 88  PHE   AaA CE2 1 ? 
ATOM   110  C CZ  . PHE   A 1 15  ? -24.860 -22.175 -24.258 1.000 17.766 ? 88  PHE   AaA CZ  1 ? 
ATOM   111  N N   . VAL   A 1 16  ? -30.159 -24.651 -28.596 1.000 16.327 ? 89  VAL   AaA N   1 ? 
ATOM   112  C CA  . VAL   A 1 16  ? -30.959 -25.680 -29.310 1.000 16.287 ? 89  VAL   AaA CA  1 ? 
ATOM   113  C C   . VAL   A 1 16  ? -30.036 -26.864 -29.594 1.000 15.184 ? 89  VAL   AaA C   1 ? 
ATOM   114  O O   . VAL   A 1 16  ? -28.988 -26.690 -30.262 1.000 17.238 ? 89  VAL   AaA O   1 ? 
ATOM   115  C CB  . VAL   A 1 16  ? -31.556 -25.090 -30.592 1.000 18.233 ? 89  VAL   AaA CB  1 ? 
ATOM   116  C CG1 . VAL   A 1 16  ? -32.324 -26.150 -31.349 1.000 21.281 ? 89  VAL   AaA CG1 1 ? 
ATOM   117  C CG2 . VAL   A 1 16  ? -32.438 -23.879 -30.304 1.000 21.396 ? 89  VAL   AaA CG2 1 ? 
ATOM   118  N N   . VAL   A 1 17  ? -30.360 -28.027 -29.064 1.000 14.551 ? 90  VAL   AaA N   1 ? 
ATOM   119  C CA  . VAL   A 1 17  ? -29.465 -29.205 -29.197 1.000 15.097 ? 90  VAL   AaA CA  1 ? 
ATOM   120  C C   . VAL   A 1 17  ? -29.356 -29.580 -30.674 1.000 15.621 ? 90  VAL   AaA C   1 ? 
ATOM   121  O O   . VAL   A 1 17  ? -30.406 -29.768 -31.321 1.000 16.038 ? 90  VAL   AaA O   1 ? 
ATOM   122  C CB  . VAL   A 1 17  ? -29.979 -30.374 -28.352 1.000 16.015 ? 90  VAL   AaA CB  1 ? 
ATOM   123  C CG1 . VAL   A 1 17  ? -29.148 -31.616 -28.555 1.000 16.531 ? 90  VAL   AaA CG1 1 ? 
ATOM   124  C CG2 . VAL   A 1 17  ? -30.062 -29.987 -26.883 1.000 16.287 ? 90  VAL   AaA CG2 1 ? 
ATOM   125  N N   . ARG   A 1 18  ? -28.137 -29.748 -31.147 1.000 14.629 ? 91  ARG   AaA N   1 ? 
ATOM   126  C CA  . ARG   A 1 18  ? -27.849 -29.970 -32.586 1.000 14.319 ? 91  ARG   AaA CA  1 ? 
ATOM   127  C C   . ARG   A 1 18  ? -27.821 -31.471 -32.899 1.000 14.912 ? 91  ARG   AaA C   1 ? 
ATOM   128  O O   . ARG   A 1 18  ? -27.578 -32.293 -32.022 1.000 15.574 ? 91  ARG   AaA O   1 ? 
ATOM   129  C CB  . ARG   A 1 18  ? -26.527 -29.304 -32.931 1.000 14.499 ? 91  ARG   AaA CB  1 ? 
ATOM   130  C CG  . ARG   A 1 18  ? -26.553 -27.797 -32.766 1.000 14.998 ? 91  ARG   AaA CG  1 ? 
ATOM   131  C CD  . ARG   A 1 18  ? -25.222 -27.164 -33.040 1.000 14.966 ? 91  ARG   AaA CD  1 ? 
ATOM   132  N NE  . ARG   A 1 18  ? -25.289 -25.720 -32.939 1.000 15.233 ? 91  ARG   AaA NE  1 ? 
ATOM   133  C CZ  . ARG   A 1 18  ? -24.228 -24.914 -32.971 1.000 14.901 ? 91  ARG   AaA CZ  1 ? 
ATOM   134  N NH1 . ARG   A 1 18  ? -23.019 -25.412 -33.149 1.000 15.834 ? 91  ARG   AaA NH1 1 ? 
ATOM   135  N NH2 . ARG   A 1 18  ? -24.384 -23.614 -32.836 1.000 16.403 ? 91  ARG   AaA NH2 1 ? 
ATOM   136  N N   . SER   A 1 19  ? -27.970 -31.769 -34.187 1.000 16.114 ? 92  SER   AaA N   1 ? 
ATOM   137  C CA  . SER   A 1 19  ? -28.000 -33.148 -34.726 1.000 17.058 ? 92  SER   AaA CA  1 ? 
ATOM   138  C C   . SER   A 1 19  ? -26.755 -33.911 -34.289 1.000 16.113 ? 92  SER   AaA C   1 ? 
ATOM   139  O O   . SER   A 1 19  ? -26.878 -35.066 -33.813 1.000 18.313 ? 92  SER   AaA O   1 ? 
ATOM   140  C CB  . SER   A 1 19  ? -28.103 -33.088 -36.245 1.000 17.257 ? 92  SER   AaA CB  1 ? 
ATOM   141  O OG  . SER   A 1 19  ? -27.033 -32.390 -36.813 1.000 19.483 ? 92  SER   AaA OG  1 ? 
ATOM   142  N N   . TYR   A 1 20  ? -25.592 -33.290 -34.388 1.000 16.188 ? 93  TYR   AaA N   1 ? 
ATOM   143  C CA  . TYR   A 1 20  ? -24.299 -33.980 -34.163 1.000 16.441 ? 93  TYR   AaA CA  1 ? 
ATOM   144  C C   . TYR   A 1 20  ? -23.950 -34.001 -32.670 1.000 16.654 ? 93  TYR   AaA C   1 ? 
ATOM   145  O O   . TYR   A 1 20  ? -22.933 -34.586 -32.310 1.000 17.686 ? 93  TYR   AaA O   1 ? 
ATOM   146  C CB  . TYR   A 1 20  ? -23.189 -33.353 -34.999 1.000 15.796 ? 93  TYR   AaA CB  1 ? 
ATOM   147  C CG  . TYR   A 1 20  ? -22.934 -31.901 -34.724 1.000 16.083 ? 93  TYR   AaA CG  1 ? 
ATOM   148  C CD1 . TYR   A 1 20  ? -22.070 -31.519 -33.701 1.000 15.754 ? 93  TYR   AaA CD1 1 ? 
ATOM   149  C CD2 . TYR   A 1 20  ? -23.482 -30.896 -35.503 1.000 16.250 ? 93  TYR   AaA CD2 1 ? 
ATOM   150  C CE1 . TYR   A 1 20  ? -21.779 -30.192 -33.468 1.000 15.870 ? 93  TYR   AaA CE1 1 ? 
ATOM   151  C CE2 . TYR   A 1 20  ? -23.190 -29.558 -35.283 1.000 15.849 ? 93  TYR   AaA CE2 1 ? 
ATOM   152  C CZ  . TYR   A 1 20  ? -22.346 -29.201 -34.242 1.000 15.319 ? 93  TYR   AaA CZ  1 ? 
ATOM   153  O OH  . TYR   A 1 20  ? -22.025 -27.882 -34.058 1.000 17.391 ? 93  TYR   AaA OH  1 ? 
ATOM   154  N N   . GLU   A 1 21  ? -24.767 -33.356 -31.838 1.000 15.185 ? 94  GLU   AaA N   1 ? 
ATOM   155  C CA  . GLU   A 1 21  ? -24.539 -33.278 -30.375 1.000 15.108 ? 94  GLU   AaA CA  1 ? 
ATOM   156  C C   . GLU   A 1 21  ? -25.201 -34.417 -29.628 1.000 15.290 ? 94  GLU   AaA C   1 ? 
ATOM   157  O O   . GLU   A 1 21  ? -25.019 -34.524 -28.414 1.000 16.094 ? 94  GLU   AaA O   1 ? 
ATOM   158  C CB  . GLU   A 1 21  ? -25.051 -31.945 -29.841 1.000 14.494 ? 94  GLU   AaA CB  1 ? 
ATOM   159  C CG  . GLU   A 1 21  ? -24.162 -30.767 -30.161 1.000 15.915 ? 94  GLU   AaA CG  1 ? 
ATOM   160  C CD  . GLU   A 1 21  ? -24.704 -29.403 -29.781 1.000 15.453 ? 94  GLU   AaA CD  1 ? 
ATOM   161  O OE1 . GLU   A 1 21  ? -25.916 -29.282 -29.504 1.000 15.917 ? 94  GLU   AaA OE1 1 ? 
ATOM   162  O OE2 . GLU   A 1 21  ? -23.896 -28.438 -29.786 1.000 16.912 ? 94  GLU   AaA OE2 1 ? 
ATOM   163  N N   . VAL   A 1 22  ? -25.927 -35.300 -30.319 1.000 17.008 ? 95  VAL   AaA N   1 ? 
ATOM   164  C CA  . VAL   A 1 22  ? -26.701 -36.372 -29.651 1.000 18.694 ? 95  VAL   AaA CA  1 ? 
ATOM   165  C C   . VAL   A 1 22  ? -26.100 -37.730 -29.978 1.000 17.910 ? 95  VAL   AaA C   1 ? 
ATOM   166  O O   . VAL   A 1 22  ? -25.498 -37.902 -31.050 1.000 21.422 ? 95  VAL   AaA O   1 ? 
ATOM   167  C CB  . VAL   A 1 22  ? -28.200 -36.309 -29.976 1.000 18.802 ? 95  VAL   AaA CB  1 ? 
ATOM   168  C CG1 . VAL   A 1 22  ? -28.773 -34.946 -29.633 1.000 18.925 ? 95  VAL   AaA CG1 1 ? 
ATOM   169  C CG2 . VAL   A 1 22  ? -28.501 -36.688 -31.406 1.000 19.662 ? 95  VAL   AaA CG2 1 ? 
ATOM   170  N N   . GLY   A 1 23  ? -26.382 -38.654 -29.069 1.000 19.867 ? 96  GLY   AaA N   1 ? 
ATOM   171  C CA  . GLY   A 1 23  ? -26.010 -40.082 -29.159 1.000 23.416 ? 96  GLY   AaA CA  1 ? 
ATOM   172  C C   . GLY   A 1 23  ? -27.189 -40.940 -29.584 1.000 23.581 ? 96  GLY   AaA C   1 ? 
ATOM   173  O O   . GLY   A 1 23  ? -28.144 -40.427 -30.160 1.000 22.215 ? 96  GLY   AaA O   1 ? 
ATOM   174  N N   . SER   A 1 24  ? -27.143 -42.246 -29.328 1.000 30.212 ? 97  SER   AaA N   1 ? 
ATOM   175  C CA  . SER   A 1 24  ? -28.069 -43.203 -29.990 1.000 32.322 ? 97  SER   AaA CA  1 ? 
ATOM   176  C C   . SER   A 1 24  ? -29.523 -43.031 -29.514 1.000 33.359 ? 97  SER   AaA C   1 ? 
ATOM   177  O O   . SER   A 1 24  ? -30.429 -43.419 -30.283 1.000 39.612 ? 97  SER   AaA O   1 ? 
ATOM   178  C CB  . SER   A 1 24  ? -27.588 -44.624 -29.842 1.000 37.513 ? 97  SER   AaA CB  1 ? 
ATOM   179  O OG  . SER   A 1 24  ? -27.298 -44.909 -28.489 1.000 43.375 ? 97  SER   AaA OG  1 ? 
ATOM   180  N N   . ASN   A 1 25  ? -29.771 -42.434 -28.337 1.000 32.646 ? 98  ASN   AaA N   1 ? 
ATOM   181  C CA  . ASN   A 1 25  ? -31.153 -42.173 -27.844 1.000 34.584 ? 98  ASN   AaA CA  1 ? 
ATOM   182  C C   . ASN   A 1 25  ? -31.622 -40.790 -28.304 1.000 30.498 ? 98  ASN   AaA C   1 ? 
ATOM   183  O O   . ASN   A 1 25  ? -32.675 -40.332 -27.813 1.000 30.520 ? 98  ASN   AaA O   1 ? 
ATOM   184  C CB  . ASN   A 1 25  ? -31.263 -42.286 -26.325 1.000 39.783 ? 98  ASN   AaA CB  1 ? 
ATOM   185  C CG  . ASN   A 1 25  ? -30.905 -43.667 -25.820 1.000 46.129 ? 98  ASN   AaA CG  1 ? 
ATOM   186  O OD1 . ASN   A 1 25  ? -29.908 -43.832 -25.122 1.000 49.536 ? 98  ASN   AaA OD1 1 ? 
ATOM   187  N ND2 . ASN   A 1 25  ? -31.703 -44.664 -26.173 1.000 50.114 ? 98  ASN   AaA ND2 1 ? 
ATOM   188  N N   . LYS   A 1 26  ? -30.854 -40.153 -29.192 1.000 24.975 ? 99  LYS   AaA N   1 ? 
ATOM   189  C CA  . LYS   A 1 26  ? -31.180 -38.835 -29.779 1.000 25.010 ? 99  LYS   AaA CA  1 ? 
ATOM   190  C C   . LYS   A 1 26  ? -31.298 -37.825 -28.640 1.000 24.167 ? 99  LYS   AaA C   1 ? 
ATOM   191  O O   . LYS   A 1 26  ? -32.043 -36.853 -28.784 1.000 23.985 ? 99  LYS   AaA O   1 ? 
ATOM   192  C CB  . LYS   A 1 26  ? -32.461 -38.887 -30.621 1.000 29.781 ? 99  LYS   AaA CB  1 ? 
ATOM   193  C CG  . LYS   A 1 26  ? -32.318 -39.665 -31.921 1.000 36.752 ? 99  LYS   AaA CG  1 ? 
ATOM   194  C CD  . LYS   A 1 26  ? -33.518 -40.510 -32.267 1.000 43.658 ? 99  LYS   AaA CD  1 ? 
ATOM   195  C CE  . LYS   A 1 26  ? -33.166 -41.809 -32.967 1.000 48.649 ? 99  LYS   AaA CE  1 ? 
ATOM   196  N NZ  . LYS   A 1 26  ? -34.303 -42.758 -32.924 1.000 52.399 ? 99  LYS   AaA NZ  1 ? 
ATOM   197  N N   . THR   A 1 27  ? -30.515 -38.009 -27.571 1.000 21.362 ? 100 THR   AaA N   1 ? 
ATOM   198  C CA  . THR   A 1 27  ? -30.383 -36.966 -26.543 1.000 20.181 ? 100 THR   AaA CA  1 ? 
ATOM   199  C C   . THR   A 1 27  ? -28.918 -36.533 -26.481 1.000 17.443 ? 100 THR   AaA C   1 ? 
ATOM   200  O O   . THR   A 1 27  ? -28.010 -37.292 -26.857 1.000 18.389 ? 100 THR   AaA O   1 ? 
ATOM   201  C CB  . THR   A 1 27  ? -30.914 -37.391 -25.169 1.000 21.059 ? 100 THR   AaA CB  1 ? 
ATOM   202  O OG1 . THR   A 1 27  ? -30.175 -38.527 -24.734 1.000 23.927 ? 100 THR   AaA OG1 1 ? 
ATOM   203  C CG2 . THR   A 1 27  ? -32.396 -37.708 -25.177 1.000 23.107 ? 100 THR   AaA CG2 1 ? 
ATOM   204  N N   . ALA   A 1 28  ? -28.734 -35.314 -26.001 1.000 17.406 ? 101 ALA   AaA N   1 ? 
ATOM   205  C CA  . ALA   A 1 28  ? -27.399 -34.709 -25.880 1.000 17.467 ? 101 ALA   AaA CA  1 ? 
ATOM   206  C C   . ALA   A 1 28  ? -26.499 -35.658 -25.100 1.000 16.785 ? 101 ALA   AaA C   1 ? 
ATOM   207  O O   . ALA   A 1 28  ? -26.920 -36.191 -24.050 1.000 19.261 ? 101 ALA   AaA O   1 ? 
ATOM   208  C CB  . ALA   A 1 28  ? -27.467 -33.369 -25.195 1.000 17.576 ? 101 ALA   AaA CB  1 ? 
ATOM   209  N N   . THR   A 1 29  ? -25.267 -35.780 -25.553 1.000 16.107 ? 102 THR   AaA N   1 ? 
ATOM   210  C CA  . THR   A 1 29  ? -24.241 -36.523 -24.799 1.000 15.775 ? 102 THR   AaA CA  1 ? 
ATOM   211  C C   . THR   A 1 29  ? -23.795 -35.700 -23.591 1.000 16.271 ? 102 THR   AaA C   1 ? 
ATOM   212  O O   . THR   A 1 29  ? -23.960 -34.459 -23.548 1.000 15.878 ? 102 THR   AaA O   1 ? 
ATOM   213  C CB  . THR   A 1 29  ? -23.050 -36.879 -25.679 1.000 16.859 ? 102 THR   AaA CB  1 ? 
ATOM   214  O OG1 . THR   A 1 29  ? -22.416 -35.647 -26.017 1.000 16.653 ? 102 THR   AaA OG1 1 ? 
ATOM   215  C CG2 . THR   A 1 29  ? -23.450 -37.680 -26.902 1.000 17.732 ? 102 THR   AaA CG2 1 ? 
ATOM   216  N N   . VAL   A 1 30  ? -23.143 -36.351 -22.654 1.000 16.515 ? 103 VAL   AaA N   1 ? 
ATOM   217  C CA  . VAL   A 1 30  ? -22.612 -35.569 -21.511 1.000 17.057 ? 103 VAL   AaA CA  1 ? 
ATOM   218  C C   . VAL   A 1 30  ? -21.489 -34.657 -21.995 1.000 16.081 ? 103 VAL   AaA C   1 ? 
ATOM   219  O O   . VAL   A 1 30  ? -21.302 -33.586 -21.427 1.000 15.574 ? 103 VAL   AaA O   1 ? 
ATOM   220  C CB  . VAL   A 1 30  ? -22.169 -36.469 -20.364 1.000 19.417 ? 103 VAL   AaA CB  1 ? 
ATOM   221  C CG1 . VAL   A 1 30  ? -20.966 -37.273 -20.757 1.000 19.720 ? 103 VAL   AaA CG1 1 ? 
ATOM   222  C CG2 . VAL   A 1 30  ? -21.957 -35.669 -19.090 1.000 22.165 ? 103 VAL   AaA CG2 1 ? 
ATOM   223  N N   A GLU   A 1 31  ? -20.761 -35.045 -23.041 0.500 16.263 ? 104 GLU   AaA N   1 ? 
ATOM   224  N N   B GLU   A 1 31  ? -20.753 -35.022 -23.042 0.500 15.724 ? 104 GLU   AaA N   1 ? 
ATOM   225  C CA  A GLU   A 1 31  ? -19.714 -34.174 -23.617 0.500 16.023 ? 104 GLU   AaA CA  1 ? 
ATOM   226  C CA  B GLU   A 1 31  ? -19.713 -34.105 -23.554 0.500 15.161 ? 104 GLU   AaA CA  1 ? 
ATOM   227  C C   A GLU   A 1 31  ? -20.380 -32.920 -24.194 0.500 15.241 ? 104 GLU   AaA C   1 ? 
ATOM   228  C C   B GLU   A 1 31  ? -20.390 -32.889 -24.186 0.500 14.870 ? 104 GLU   AaA C   1 ? 
ATOM   229  O O   A GLU   A 1 31  ? -19.845 -31.819 -24.007 0.500 15.287 ? 104 GLU   AaA O   1 ? 
ATOM   230  O O   B GLU   A 1 31  ? -19.868 -31.780 -24.028 0.500 14.941 ? 104 GLU   AaA O   1 ? 
ATOM   231  C CB  A GLU   A 1 31  ? -18.928 -34.923 -24.685 0.500 17.368 ? 104 GLU   AaA CB  1 ? 
ATOM   232  C CB  B GLU   A 1 31  ? -18.797 -34.795 -24.546 0.500 15.693 ? 104 GLU   AaA CB  1 ? 
ATOM   233  C CG  A GLU   A 1 31  ? -18.133 -36.097 -24.144 0.500 18.461 ? 104 GLU   AaA CG  1 ? 
ATOM   234  C CG  B GLU   A 1 31  ? -17.831 -35.739 -23.880 0.500 16.430 ? 104 GLU   AaA CG  1 ? 
ATOM   235  C CD  A GLU   A 1 31  ? -18.752 -37.474 -24.336 0.500 20.426 ? 104 GLU   AaA CD  1 ? 
ATOM   236  C CD  B GLU   A 1 31  ? -16.990 -36.500 -24.879 0.500 17.373 ? 104 GLU   AaA CD  1 ? 
ATOM   237  O OE1 A GLU   A 1 31  ? -19.975 -37.642 -24.164 0.500 19.938 ? 104 GLU   AaA OE1 1 ? 
ATOM   238  O OE1 B GLU   A 1 31  ? -15.987 -35.928 -25.344 0.500 21.012 ? 104 GLU   AaA OE1 1 ? 
ATOM   239  O OE2 A GLU   A 1 31  ? -17.980 -38.398 -24.656 0.500 23.434 ? 104 GLU   AaA OE2 1 ? 
ATOM   240  O OE2 B GLU   A 1 31  ? -17.356 -37.663 -25.180 0.500 18.300 ? 104 GLU   AaA OE2 1 ? 
ATOM   241  N N   . THR   A 1 32  ? -21.520 -33.066 -24.871 1.000 14.940 ? 105 THR   AaA N   1 ? 
ATOM   242  C CA  . THR   A 1 32  ? -22.275 -31.895 -25.356 1.000 14.714 ? 105 THR   AaA CA  1 ? 
ATOM   243  C C   . THR   A 1 32  ? -22.644 -31.015 -24.158 1.000 14.562 ? 105 THR   AaA C   1 ? 
ATOM   244  O O   . THR   A 1 32  ? -22.405 -29.799 -24.224 1.000 14.724 ? 105 THR   AaA O   1 ? 
ATOM   245  C CB  . THR   A 1 32  ? -23.517 -32.290 -26.132 1.000 15.061 ? 105 THR   AaA CB  1 ? 
ATOM   246  O OG1 . THR   A 1 32  ? -23.030 -32.819 -27.367 1.000 16.741 ? 105 THR   AaA OG1 1 ? 
ATOM   247  C CG2 . THR   A 1 32  ? -24.423 -31.108 -26.378 1.000 15.367 ? 105 THR   AaA CG2 1 ? 
ATOM   248  N N   . ILE   A 1 33  ? -23.195 -31.602 -23.108 1.000 14.894 ? 106 ILE   AaA N   1 ? 
ATOM   249  C CA  . ILE   A 1 33  ? -23.589 -30.781 -21.936 1.000 15.802 ? 106 ILE   AaA CA  1 ? 
ATOM   250  C C   . ILE   A 1 33  ? -22.347 -30.043 -21.418 1.000 14.117 ? 106 ILE   AaA C   1 ? 
ATOM   251  O O   . ILE   A 1 33  ? -22.423 -28.834 -21.189 1.000 14.625 ? 106 ILE   AaA O   1 ? 
ATOM   252  C CB  . ILE   A 1 33  ? -24.228 -31.644 -20.856 1.000 17.491 ? 106 ILE   AaA CB  1 ? 
ATOM   253  C CG1 . ILE   A 1 33  ? -25.543 -32.265 -21.316 1.000 19.462 ? 106 ILE   AaA CG1 1 ? 
ATOM   254  C CG2 . ILE   A 1 33  ? -24.407 -30.838 -19.573 1.000 19.478 ? 106 ILE   AaA CG2 1 ? 
ATOM   255  C CD1 . ILE   A 1 33  ? -26.568 -31.282 -21.786 1.000 21.440 ? 106 ILE   AaA CD1 1 ? 
ATOM   256  N N   . ALA   A 1 34  ? -21.208 -30.720 -21.277 1.000 13.611 ? 107 ALA   AaA N   1 ? 
ATOM   257  C CA  . ALA   A 1 34  ? -20.002 -30.060 -20.758 1.000 14.487 ? 107 ALA   AaA CA  1 ? 
ATOM   258  C C   . ALA   A 1 34  ? -19.537 -28.947 -21.685 1.000 13.944 ? 107 ALA   AaA C   1 ? 
ATOM   259  O O   . ALA   A 1 34  ? -19.064 -27.904 -21.203 1.000 15.104 ? 107 ALA   AaA O   1 ? 
ATOM   260  C CB  . ALA   A 1 34  ? -18.916 -31.085 -20.517 1.000 15.007 ? 107 ALA   AaA CB  1 ? 
ATOM   261  N N   . ASN   A 1 35  ? -19.638 -29.130 -23.003 1.000 14.091 ? 108 ASN   AaA N   1 ? 
ATOM   262  C CA  . ASN   A 1 35  ? -19.302 -28.048 -23.948 1.000 14.153 ? 108 ASN   AaA CA  1 ? 
ATOM   263  C C   . ASN   A 1 35  ? -20.238 -26.836 -23.725 1.000 13.790 ? 108 ASN   AaA C   1 ? 
ATOM   264  O O   . ASN   A 1 35  ? -19.762 -25.707 -23.781 1.000 14.414 ? 108 ASN   AaA O   1 ? 
ATOM   265  C CB  . ASN   A 1 35  ? -19.395 -28.545 -25.388 1.000 14.890 ? 108 ASN   AaA CB  1 ? 
ATOM   266  C CG  . ASN   A 1 35  ? -18.176 -29.259 -25.902 1.000 18.536 ? 108 ASN   AaA CG  1 ? 
ATOM   267  O OD1 . ASN   A 1 35  ? -18.334 -30.186 -26.731 1.000 24.376 ? 108 ASN   AaA OD1 1 ? 
ATOM   268  N ND2 . ASN   A 1 35  ? -17.016 -28.795 -25.535 1.000 17.066 ? 108 ASN   AaA ND2 1 ? 
ATOM   269  N N   . LEU   A 1 36  ? -21.532 -27.091 -23.545 1.000 13.352 ? 109 LEU   AaA N   1 ? 
ATOM   270  C CA  . LEU   A 1 36  ? -22.497 -25.983 -23.319 1.000 14.726 ? 109 LEU   AaA CA  1 ? 
ATOM   271  C C   . LEU   A 1 36  ? -22.172 -25.280 -21.998 1.000 14.759 ? 109 LEU   AaA C   1 ? 
ATOM   272  O O   . LEU   A 1 36  ? -22.257 -24.031 -21.943 1.000 14.716 ? 109 LEU   AaA O   1 ? 
ATOM   273  C CB  . LEU   A 1 36  ? -23.933 -26.490 -23.333 1.000 14.446 ? 109 LEU   AaA CB  1 ? 
ATOM   274  C CG  . LEU   A 1 36  ? -24.386 -27.148 -24.629 1.000 15.874 ? 109 LEU   AaA CG  1 ? 
ATOM   275  C CD1 . LEU   A 1 36  ? -25.854 -27.499 -24.538 1.000 16.102 ? 109 LEU   AaA CD1 1 ? 
ATOM   276  C CD2 . LEU   A 1 36  ? -24.083 -26.297 -25.850 1.000 18.703 ? 109 LEU   AaA CD2 1 ? 
ATOM   277  N N   . LEU   A 1 37  ? -21.803 -26.048 -20.978 1.000 14.408 ? 110 LEU   AaA N   1 ? 
ATOM   278  C CA  . LEU   A 1 37  ? -21.393 -25.411 -19.689 1.000 13.594 ? 110 LEU   AaA CA  1 ? 
ATOM   279  C C   . LEU   A 1 37  ? -20.224 -24.471 -19.931 1.000 14.205 ? 110 LEU   AaA C   1 ? 
ATOM   280  O O   . LEU   A 1 37  ? -20.181 -23.327 -19.416 1.000 14.889 ? 110 LEU   AaA O   1 ? 
ATOM   281  C CB  . LEU   A 1 37  ? -21.009 -26.476 -18.663 1.000 14.260 ? 110 LEU   AaA CB  1 ? 
ATOM   282  C CG  . LEU   A 1 37  ? -22.085 -27.477 -18.253 1.000 16.124 ? 110 LEU   AaA CG  1 ? 
ATOM   283  C CD1 . LEU   A 1 37  ? -21.546 -28.400 -17.178 1.000 17.886 ? 110 LEU   AaA CD1 1 ? 
ATOM   284  C CD2 . LEU   A 1 37  ? -23.370 -26.814 -17.777 1.000 16.925 ? 110 LEU   AaA CD2 1 ? 
ATOM   285  N N   . GLN   A 1 38  ? -19.226 -24.921 -20.686 1.000 14.123 ? 111 GLN   AaA N   1 ? 
ATOM   286  C CA  A GLN   A 1 38  ? -18.050 -24.075 -20.992 0.500 14.819 ? 111 GLN   AaA CA  1 ? 
ATOM   287  C CA  B GLN   A 1 38  ? -18.049 -24.059 -20.944 0.500 14.852 ? 111 GLN   AaA CA  1 ? 
ATOM   288  C C   . GLN   A 1 38  ? -18.492 -22.828 -21.758 1.000 15.110 ? 111 GLN   AaA C   1 ? 
ATOM   289  O O   . GLN   A 1 38  ? -18.030 -21.723 -21.457 1.000 15.648 ? 111 GLN   AaA O   1 ? 
ATOM   290  C CB  A GLN   A 1 38  ? -17.012 -24.792 -21.864 0.500 16.727 ? 111 GLN   AaA CB  1 ? 
ATOM   291  C CB  B GLN   A 1 38  ? -16.913 -24.878 -21.576 0.500 16.672 ? 111 GLN   AaA CB  1 ? 
ATOM   292  C CG  A GLN   A 1 38  ? -15.820 -23.897 -22.175 0.500 19.093 ? 111 GLN   AaA CG  1 ? 
ATOM   293  C CG  B GLN   A 1 38  ? -16.355 -25.946 -20.641 0.500 19.102 ? 111 GLN   AaA CG  1 ? 
ATOM   294  C CD  A GLN   A 1 38  ? -14.943 -24.445 -23.264 0.500 21.389 ? 111 GLN   AaA CD  1 ? 
ATOM   295  C CD  B GLN   A 1 38  ? -15.740 -25.387 -19.375 0.500 20.626 ? 111 GLN   AaA CD  1 ? 
ATOM   296  O OE1 A GLN   A 1 38  ? -14.730 -23.804 -24.303 0.500 18.993 ? 111 GLN   AaA OE1 1 ? 
ATOM   297  O OE1 B GLN   A 1 38  ? -16.195 -25.628 -18.246 0.500 21.035 ? 111 GLN   AaA OE1 1 ? 
ATOM   298  N NE2 A GLN   A 1 38  ? -14.437 -25.642 -23.015 0.500 23.088 ? 111 GLN   AaA NE2 1 ? 
ATOM   299  N NE2 B GLN   A 1 38  ? -14.696 -24.594 -19.559 0.500 22.384 ? 111 GLN   AaA NE2 1 ? 
ATOM   300  N N   . GLU   A 1 39  ? -19.323 -23.003 -22.785 1.000 14.790 ? 112 GLU   AaA N   1 ? 
ATOM   301  C CA  . GLU   A 1 39  ? -19.713 -21.869 -23.651 1.000 15.154 ? 112 GLU   AaA CA  1 ? 
ATOM   302  C C   . GLU   A 1 39  ? -20.480 -20.830 -22.835 1.000 14.887 ? 112 GLU   AaA C   1 ? 
ATOM   303  O O   . GLU   A 1 39  ? -20.206 -19.632 -22.986 1.000 14.954 ? 112 GLU   AaA O   1 ? 
ATOM   304  C CB  . GLU   A 1 39  ? -20.489 -22.389 -24.856 1.000 15.911 ? 112 GLU   AaA CB  1 ? 
ATOM   305  C CG  . GLU   A 1 39  ? -21.088 -21.312 -25.731 1.000 16.977 ? 112 GLU   AaA CG  1 ? 
ATOM   306  C CD  . GLU   A 1 39  ? -20.145 -20.381 -26.459 1.000 18.416 ? 112 GLU   AaA CD  1 ? 
ATOM   307  O OE1 . GLU   A 1 39  ? -18.924 -20.582 -26.363 1.000 18.835 ? 112 GLU   AaA OE1 1 ? 
ATOM   308  O OE2 . GLU   A 1 39  ? -20.655 -19.490 -27.202 1.000 18.785 ? 112 GLU   AaA OE2 1 ? 
ATOM   309  N N   . VAL   A 1 40  ? -21.423 -21.238 -22.008 1.000 14.434 ? 113 VAL   AaA N   1 ? 
ATOM   310  C CA  . VAL   A 1 40  ? -22.203 -20.222 -21.247 1.000 13.858 ? 113 VAL   AaA CA  1 ? 
ATOM   311  C C   . VAL   A 1 40  ? -21.257 -19.546 -20.238 1.000 14.267 ? 113 VAL   AaA C   1 ? 
ATOM   312  O O   . VAL   A 1 40  ? -21.398 -18.341 -19.994 1.000 15.070 ? 113 VAL   AaA O   1 ? 
ATOM   313  C CB  . VAL   A 1 40  ? -23.465 -20.805 -20.616 1.000 15.096 ? 113 VAL   AaA CB  1 ? 
ATOM   314  C CG1 . VAL   A 1 40  ? -23.186 -21.823 -19.534 1.000 15.419 ? 113 VAL   AaA CG1 1 ? 
ATOM   315  C CG2 . VAL   A 1 40  ? -24.376 -19.693 -20.122 1.000 15.903 ? 113 VAL   AaA CG2 1 ? 
ATOM   316  N N   . GLY   A 1 41  ? -20.304 -20.275 -19.672 1.000 14.016 ? 114 GLY   AaA N   1 ? 
ATOM   317  C CA  . GLY   A 1 41  ? -19.299 -19.662 -18.777 1.000 15.022 ? 114 GLY   AaA CA  1 ? 
ATOM   318  C C   . GLY   A 1 41  ? -18.493 -18.615 -19.507 1.000 15.759 ? 114 GLY   AaA C   1 ? 
ATOM   319  O O   . GLY   A 1 41  ? -18.285 -17.488 -18.993 1.000 15.995 ? 114 GLY   AaA O   1 ? 
ATOM   320  N N   . CYS   A 1 42  ? -18.027 -18.924 -20.720 1.000 15.436 ? 115 CYS   AaA N   1 ? 
ATOM   321  C CA  . CYS   A 1 42  ? -17.270 -17.958 -21.529 1.000 15.969 ? 115 CYS   AaA CA  1 ? 
ATOM   322  C C   . CYS   A 1 42  ? -18.109 -16.747 -21.900 1.000 15.481 ? 115 CYS   AaA C   1 ? 
ATOM   323  O O   . CYS   A 1 42  ? -17.578 -15.618 -21.899 1.000 16.245 ? 115 CYS   AaA O   1 ? 
ATOM   324  C CB  . CYS   A 1 42  ? -16.774 -18.592 -22.820 1.000 16.350 ? 115 CYS   AaA CB  1 ? 
ATOM   325  S SG  . CYS   A 1 42  ? -15.410 -19.736 -22.569 1.000 19.444 ? 115 CYS   AaA SG  1 ? 
ATOM   326  N N   . ASN   A 1 43  ? -19.374 -16.948 -22.208 1.000 15.003 ? 116 ASN   AaA N   1 ? 
ATOM   327  C CA  . ASN   A 1 43  ? -20.251 -15.819 -22.590 1.000 16.141 ? 116 ASN   AaA CA  1 ? 
ATOM   328  C C   . ASN   A 1 43  ? -20.536 -14.974 -21.349 1.000 16.979 ? 116 ASN   AaA C   1 ? 
ATOM   329  O O   . ASN   A 1 43  ? -20.587 -13.750 -21.470 1.000 18.042 ? 116 ASN   AaA O   1 ? 
ATOM   330  C CB  . ASN   A 1 43  ? -21.504 -16.317 -23.282 1.000 15.736 ? 116 ASN   AaA CB  1 ? 
ATOM   331  C CG  . ASN   A 1 43  ? -21.183 -16.794 -24.681 1.000 16.227 ? 116 ASN   AaA CG  1 ? 
ATOM   332  O OD1 . ASN   A 1 43  ? -20.206 -16.356 -25.287 1.000 18.269 ? 116 ASN   AaA OD1 1 ? 
ATOM   333  N ND2 . ASN   A 1 43  ? -22.012 -17.703 -25.165 1.000 16.452 ? 116 ASN   AaA ND2 1 ? 
ATOM   334  N N   . HIS   A 1 44  ? -20.690 -15.603 -20.196 1.000 16.440 ? 117 HIS   AaA N   1 ? 
ATOM   335  C CA  . HIS   A 1 44  ? -20.819 -14.850 -18.929 1.000 16.106 ? 117 HIS   AaA CA  1 ? 
ATOM   336  C C   . HIS   A 1 44  ? -19.589 -13.978 -18.747 1.000 16.561 ? 117 HIS   AaA C   1 ? 
ATOM   337  O O   . HIS   A 1 44  ? -19.749 -12.754 -18.502 1.000 17.576 ? 117 HIS   AaA O   1 ? 
ATOM   338  C CB  . HIS   A 1 44  ? -20.977 -15.815 -17.781 1.000 14.777 ? 117 HIS   AaA CB  1 ? 
ATOM   339  C CG  . HIS   A 1 44  ? -21.218 -15.146 -16.471 1.000 14.990 ? 117 HIS   AaA CG  1 ? 
ATOM   340  N ND1 . HIS   A 1 44  ? -21.061 -15.823 -15.293 1.000 15.302 ? 117 HIS   AaA ND1 1 ? 
ATOM   341  C CD2 . HIS   A 1 44  ? -21.551 -13.867 -16.160 1.000 15.880 ? 117 HIS   AaA CD2 1 ? 
ATOM   342  C CE1 . HIS   A 1 44  ? -21.332 -14.993 -14.288 1.000 16.193 ? 117 HIS   AaA CE1 1 ? 
ATOM   343  N NE2 . HIS   A 1 44  ? -21.650 -13.792 -14.792 1.000 15.495 ? 117 HIS   AaA NE2 1 ? 
ATOM   344  N N   . ALA   A 1 45  ? -18.413 -14.549 -18.878 1.000 15.406 ? 118 ALA   AaA N   1 ? 
ATOM   345  C CA  . ALA   A 1 45  ? -17.151 -13.796 -18.700 1.000 16.958 ? 118 ALA   AaA CA  1 ? 
ATOM   346  C C   . ALA   A 1 45  ? -17.159 -12.602 -19.641 1.000 18.279 ? 118 ALA   AaA C   1 ? 
ATOM   347  O O   . ALA   A 1 45  ? -16.822 -11.484 -19.221 1.000 20.654 ? 118 ALA   AaA O   1 ? 
ATOM   348  C CB  . ALA   A 1 45  ? -15.947 -14.674 -18.889 1.000 17.664 ? 118 ALA   AaA CB  1 ? 
ATOM   349  N N   . GLN   A 1 46  ? -17.509 -12.787 -20.909 1.000 18.380 ? 119 GLN   AaA N   1 ? 
ATOM   350  C CA  . GLN   A 1 46  ? -17.455 -11.642 -21.840 1.000 19.985 ? 119 GLN   AaA CA  1 ? 
ATOM   351  C C   . GLN   A 1 46  ? -18.466 -10.592 -21.426 1.000 20.526 ? 119 GLN   AaA C   1 ? 
ATOM   352  O O   . GLN   A 1 46  ? -18.176 -9.367  -21.597 1.000 22.769 ? 119 GLN   AaA O   1 ? 
ATOM   353  C CB  . GLN   A 1 46  ? -17.728 -12.123 -23.258 1.000 20.469 ? 119 GLN   AaA CB  1 ? 
ATOM   354  C CG  . GLN   A 1 46  ? -16.536 -12.884 -23.754 1.000 22.883 ? 119 GLN   AaA CG  1 ? 
ATOM   355  C CD  . GLN   A 1 46  ? -16.749 -13.427 -25.138 1.000 27.782 ? 119 GLN   AaA CD  1 ? 
ATOM   356  O OE1 . GLN   A 1 46  ? -16.494 -12.757 -26.139 1.000 36.583 ? 119 GLN   AaA OE1 1 ? 
ATOM   357  N NE2 . GLN   A 1 46  ? -17.254 -14.644 -25.192 1.000 30.267 ? 119 GLN   AaA NE2 1 ? 
ATOM   358  N N   . SER   A 1 47  ? -19.625 -11.018 -20.973 1.000 19.765 ? 120 SER   AaA N   1 ? 
ATOM   359  C CA  . SER   A 1 47  ? -20.740 -10.111 -20.632 1.000 20.166 ? 120 SER   AaA CA  1 ? 
ATOM   360  C C   . SER   A 1 47  ? -20.337 -9.198  -19.466 1.000 22.633 ? 120 SER   AaA C   1 ? 
ATOM   361  O O   . SER   A 1 47  ? -20.892 -8.091  -19.399 1.000 23.318 ? 120 SER   AaA O   1 ? 
ATOM   362  C CB  . SER   A 1 47  ? -21.955 -10.877 -20.320 1.000 20.244 ? 120 SER   AaA CB  1 ? 
ATOM   363  O OG  . SER   A 1 47  ? -21.873 -11.407 -19.004 1.000 23.942 ? 120 SER   AaA OG  1 ? 
ATOM   364  N N   . VAL   A 1 48  ? -19.435 -9.633  -18.591 1.000 21.565 ? 121 VAL   AaA N   1 ? 
ATOM   365  C CA  . VAL   A 1 48  ? -19.000 -8.801  -17.429 1.000 20.802 ? 121 VAL   AaA CA  1 ? 
ATOM   366  C C   . VAL   A 1 48  ? -17.615 -8.224  -17.693 1.000 21.872 ? 121 VAL   AaA C   1 ? 
ATOM   367  O O   . VAL   A 1 48  ? -16.987 -7.686  -16.759 1.000 25.062 ? 121 VAL   AaA O   1 ? 
ATOM   368  C CB  . VAL   A 1 48  ? -19.073 -9.590  -16.113 1.000 19.849 ? 121 VAL   AaA CB  1 ? 
ATOM   369  C CG1 . VAL   A 1 48  ? -20.481 -10.079 -15.877 1.000 22.644 ? 121 VAL   AaA CG1 1 ? 
ATOM   370  C CG2 . VAL   A 1 48  ? -18.062 -10.719 -16.032 1.000 19.707 ? 121 VAL   AaA CG2 1 ? 
ATOM   371  N N   . GLY   A 1 49  ? -17.203 -8.180  -18.947 1.000 21.972 ? 122 GLY   AaA N   1 ? 
ATOM   372  C CA  . GLY   A 1 49  ? -16.131 -7.271  -19.359 1.000 22.776 ? 122 GLY   AaA CA  1 ? 
ATOM   373  C C   . GLY   A 1 49  ? -14.817 -7.981  -19.497 1.000 21.155 ? 122 GLY   AaA C   1 ? 
ATOM   374  O O   . GLY   A 1 49  ? -13.821 -7.320  -19.782 1.000 26.118 ? 122 GLY   AaA O   1 ? 
ATOM   375  N N   . PHE   A 1 50  ? -14.793 -9.315  -19.384 1.000 23.006 ? 123 PHE   AaA N   1 ? 
ATOM   376  C CA  . PHE   A 1 50  ? -13.575 -10.077 -19.715 1.000 23.460 ? 123 PHE   AaA CA  1 ? 
ATOM   377  C C   . PHE   A 1 50  ? -13.446 -10.070 -21.249 1.000 23.056 ? 123 PHE   AaA C   1 ? 
ATOM   378  O O   . PHE   A 1 50  ? -14.376 -9.650  -22.021 1.000 26.486 ? 123 PHE   AaA O   1 ? 
ATOM   379  C CB  . PHE   A 1 50  ? -13.603 -11.484 -19.111 1.000 22.827 ? 123 PHE   AaA CB  1 ? 
ATOM   380  C CG  . PHE   A 1 50  ? -13.503 -11.508 -17.603 1.000 21.104 ? 123 PHE   AaA CG  1 ? 
ATOM   381  C CD1 . PHE   A 1 50  ? -12.278 -11.452 -16.973 1.000 23.481 ? 123 PHE   AaA CD1 1 ? 
ATOM   382  C CD2 . PHE   A 1 50  ? -14.643 -11.543 -16.815 1.000 19.840 ? 123 PHE   AaA CD2 1 ? 
ATOM   383  C CE1 . PHE   A 1 50  ? -12.192 -11.458 -15.584 1.000 24.490 ? 123 PHE   AaA CE1 1 ? 
ATOM   384  C CE2 . PHE   A 1 50  ? -14.555 -11.563 -15.426 1.000 21.551 ? 123 PHE   AaA CE2 1 ? 
ATOM   385  C CZ  . PHE   A 1 50  ? -13.331 -11.519 -14.810 1.000 23.817 ? 123 PHE   AaA CZ  1 ? 
ATOM   386  N N   . SER   A 1 51  ? -12.271 -10.453 -21.692 1.000 25.248 ? 124 SER   AaA N   1 ? 
ATOM   387  C CA  . SER   A 1 51  ? -11.830 -10.381 -23.110 1.000 26.908 ? 124 SER   AaA CA  1 ? 
ATOM   388  C C   . SER   A 1 51  ? -12.827 -11.049 -24.062 1.000 28.973 ? 124 SER   AaA C   1 ? 
ATOM   389  O O   . SER   A 1 51  ? -13.395 -12.136 -23.732 1.000 27.222 ? 124 SER   AaA O   1 ? 
ATOM   390  C CB  . SER   A 1 51  ? -10.497 -11.019 -23.259 1.000 28.525 ? 124 SER   AaA CB  1 ? 
ATOM   391  O OG  . SER   A 1 51  ? -10.033 -10.857 -24.601 1.000 30.749 ? 124 SER   AaA OG  1 ? 
ATOM   392  N N   . THR   A 1 52  ? -12.959 -10.480 -25.262 1.000 31.125 ? 125 THR   AaA N   1 ? 
ATOM   393  C CA  . THR   A 1 52  ? -13.710 -11.117 -26.374 1.000 35.129 ? 125 THR   AaA CA  1 ? 
ATOM   394  C C   . THR   A 1 52  ? -12.758 -11.895 -27.293 1.000 35.608 ? 125 THR   AaA C   1 ? 
ATOM   395  O O   . THR   A 1 52  ? -13.261 -12.449 -28.305 1.000 39.406 ? 125 THR   AaA O   1 ? 
ATOM   396  C CB  . THR   A 1 52  ? -14.568 -10.097 -27.132 1.000 37.854 ? 125 THR   AaA CB  1 ? 
ATOM   397  O OG1 . THR   A 1 52  ? -13.711 -9.098  -27.689 1.000 39.583 ? 125 THR   AaA OG1 1 ? 
ATOM   398  C CG2 . THR   A 1 52  ? -15.627 -9.474  -26.246 1.000 37.943 ? 125 THR   AaA CG2 1 ? 
ATOM   399  N N   . ASP   A 1 53  ? -11.457 -11.980 -26.987 1.000 32.948 ? 126 ASP   AaA N   1 ? 
ATOM   400  C CA  . ASP   A 1 53  ? -10.541 -12.824 -27.809 1.000 37.470 ? 126 ASP   AaA CA  1 ? 
ATOM   401  C C   . ASP   A 1 53  ? -9.551  -13.627 -26.950 1.000 35.566 ? 126 ASP   AaA C   1 ? 
ATOM   402  O O   . ASP   A 1 53  ? -8.559  -14.120 -27.516 1.000 37.886 ? 126 ASP   AaA O   1 ? 
ATOM   403  C CB  . ASP   A 1 53  ? -9.831  -11.996 -28.883 1.000 43.231 ? 126 ASP   AaA CB  1 ? 
ATOM   404  C CG  . ASP   A 1 53  ? -9.076  -10.806 -28.330 1.000 47.110 ? 126 ASP   AaA CG  1 ? 
ATOM   405  O OD1 . ASP   A 1 53  ? -8.532  -10.927 -27.218 1.000 49.458 ? 126 ASP   AaA OD1 1 ? 
ATOM   406  O OD2 . ASP   A 1 53  ? -9.054  -9.764  -29.013 1.000 52.649 ? 126 ASP   AaA OD2 1 ? 
ATOM   407  N N   . GLY   A 1 54  ? -9.813  -13.837 -25.653 1.000 30.122 ? 127 GLY   AaA N   1 ? 
ATOM   408  C CA  . GLY   A 1 54  ? -9.125  -14.904 -24.896 1.000 30.758 ? 127 GLY   AaA CA  1 ? 
ATOM   409  C C   . GLY   A 1 54  ? -9.972  -15.375 -23.733 1.000 25.982 ? 127 GLY   AaA C   1 ? 
ATOM   410  O O   . GLY   A 1 54  ? -10.946 -14.707 -23.420 1.000 26.056 ? 127 GLY   AaA O   1 ? 
ATOM   411  N N   . PHE   A 1 55  ? -9.596  -16.467 -23.079 1.000 25.743 ? 128 PHE   AaA N   1 ? 
ATOM   412  C CA  . PHE   A 1 55  ? -10.294 -16.910 -21.846 1.000 24.994 ? 128 PHE   AaA CA  1 ? 
ATOM   413  C C   . PHE   A 1 55  ? -10.076 -15.879 -20.738 1.000 23.543 ? 128 PHE   AaA C   1 ? 
ATOM   414  O O   . PHE   A 1 55  ? -9.051  -15.175 -20.723 1.000 26.188 ? 128 PHE   AaA O   1 ? 
ATOM   415  C CB  . PHE   A 1 55  ? -9.822  -18.290 -21.406 1.000 25.467 ? 128 PHE   AaA CB  1 ? 
ATOM   416  C CG  . PHE   A 1 55  ? -10.168 -19.393 -22.368 1.000 27.190 ? 128 PHE   AaA CG  1 ? 
ATOM   417  C CD1 . PHE   A 1 55  ? -11.490 -19.631 -22.708 1.000 29.382 ? 128 PHE   AaA CD1 1 ? 
ATOM   418  C CD2 . PHE   A 1 55  ? -9.185  -20.224 -22.878 1.000 29.091 ? 128 PHE   AaA CD2 1 ? 
ATOM   419  C CE1 . PHE   A 1 55  ? -11.824 -20.671 -23.560 1.000 31.091 ? 128 PHE   AaA CE1 1 ? 
ATOM   420  C CE2 . PHE   A 1 55  ? -9.522  -21.257 -23.739 1.000 31.161 ? 128 PHE   AaA CE2 1 ? 
ATOM   421  C CZ  . PHE   A 1 55  ? -10.835 -21.471 -24.085 1.000 31.208 ? 128 PHE   AaA CZ  1 ? 
ATOM   422  N N   . ALA   A 1 56  ? -11.075 -15.776 -19.868 1.000 23.982 ? 129 ALA   AaA N   1 ? 
ATOM   423  C CA  . ALA   A 1 56  ? -11.167 -14.742 -18.825 1.000 22.652 ? 129 ALA   AaA CA  1 ? 
ATOM   424  C C   . ALA   A 1 56  ? -9.894  -14.680 -17.968 1.000 20.429 ? 129 ALA   AaA C   1 ? 
ATOM   425  O O   . ALA   A 1 56  ? -9.407  -15.692 -17.417 1.000 21.888 ? 129 ALA   AaA O   1 ? 
ATOM   426  C CB  . ALA   A 1 56  ? -12.392 -14.987 -17.985 1.000 24.614 ? 129 ALA   AaA CB  1 ? 
ATOM   427  N N   . THR   A 1 57  ? -9.336  -13.491 -17.890 1.000 20.130 ? 130 THR   AaA N   1 ? 
ATOM   428  C CA  . THR   A 1 57  ? -8.312  -13.118 -16.892 1.000 20.660 ? 130 THR   AaA CA  1 ? 
ATOM   429  C C   . THR   A 1 57  ? -8.636  -11.741 -16.360 1.000 21.430 ? 130 THR   AaA C   1 ? 
ATOM   430  O O   . THR   A 1 57  ? -9.128  -10.904 -17.140 1.000 24.359 ? 130 THR   AaA O   1 ? 
ATOM   431  C CB  . THR   A 1 57  ? -6.903  -13.085 -17.493 1.000 21.835 ? 130 THR   AaA CB  1 ? 
ATOM   432  O OG1 . THR   A 1 57  ? -6.881  -12.161 -18.589 1.000 23.138 ? 130 THR   AaA OG1 1 ? 
ATOM   433  C CG2 . THR   A 1 57  ? -6.455  -14.462 -17.915 1.000 22.285 ? 130 THR   AaA CG2 1 ? 
ATOM   434  N N   . THR   A 1 58  ? -8.344  -11.498 -15.083 1.000 20.829 ? 131 THR   AaA N   1 ? 
ATOM   435  C CA  . THR   A 1 58  ? -8.392  -10.120 -14.531 1.000 21.799 ? 131 THR   AaA CA  1 ? 
ATOM   436  C C   . THR   A 1 58  ? -7.108  -9.376  -14.914 1.000 21.348 ? 131 THR   AaA C   1 ? 
ATOM   437  O O   . THR   A 1 58  ? -6.107  -10.014 -15.372 1.000 21.477 ? 131 THR   AaA O   1 ? 
ATOM   438  C CB  . THR   A 1 58  ? -8.577  -10.088 -13.008 1.000 20.496 ? 131 THR   AaA CB  1 ? 
ATOM   439  O OG1 . THR   A 1 58  ? -7.348  -10.459 -12.387 1.000 21.926 ? 131 THR   AaA OG1 1 ? 
ATOM   440  C CG2 . THR   A 1 58  ? -9.691  -10.971 -12.497 1.000 21.673 ? 131 THR   AaA CG2 1 ? 
ATOM   441  N N   . THR   A 1 59  ? -7.094  -8.068  -14.706 1.000 22.931 ? 132 THR   AaA N   1 ? 
ATOM   442  C CA  A THR   A 1 59  ? -5.917  -7.240  -15.058 0.700 25.235 ? 132 THR   AaA CA  1 ? 
ATOM   443  C CA  B THR   A 1 59  ? -5.912  -7.234  -15.065 0.300 23.270 ? 132 THR   AaA CA  1 ? 
ATOM   444  C C   . THR   A 1 59  ? -4.685  -7.725  -14.294 1.000 23.490 ? 132 THR   AaA C   1 ? 
ATOM   445  O O   . THR   A 1 59  ? -3.586  -7.820  -14.900 1.000 23.201 ? 132 THR   AaA O   1 ? 
ATOM   446  C CB  A THR   A 1 59  ? -6.152  -5.760  -14.765 0.700 29.794 ? 132 THR   AaA CB  1 ? 
ATOM   447  C CB  B THR   A 1 59  ? -6.112  -5.732  -14.820 0.300 24.441 ? 132 THR   AaA CB  1 ? 
ATOM   448  O OG1 A THR   A 1 59  ? -7.438  -5.416  -15.283 0.700 34.474 ? 132 THR   AaA OG1 1 ? 
ATOM   449  O OG1 B THR   A 1 59  ? -6.654  -5.495  -13.519 0.300 22.945 ? 132 THR   AaA OG1 1 ? 
ATOM   450  C CG2 A THR   A 1 59  ? -5.067  -4.908  -15.382 0.700 29.615 ? 132 THR   AaA CG2 1 ? 
ATOM   451  C CG2 B THR   A 1 59  ? -6.999  -5.097  -15.868 0.300 25.333 ? 132 THR   AaA CG2 1 ? 
ATOM   452  N N   . THR   A 1 60  ? -4.827  -8.004  -13.009 1.000 22.115 ? 133 THR   AaA N   1 ? 
ATOM   453  C CA  . THR   A 1 60  ? -3.665  -8.453  -12.220 1.000 21.978 ? 133 THR   AaA CA  1 ? 
ATOM   454  C C   . THR   A 1 60  ? -3.267  -9.861  -12.659 1.000 19.492 ? 133 THR   AaA C   1 ? 
ATOM   455  O O   . THR   A 1 60  ? -2.075  -10.138 -12.703 1.000 21.012 ? 133 THR   AaA O   1 ? 
ATOM   456  C CB  . THR   A 1 60  ? -3.906  -8.335  -10.715 1.000 22.930 ? 133 THR   AaA CB  1 ? 
ATOM   457  O OG1 . THR   A 1 60  ? -4.141  -6.959  -10.435 1.000 26.952 ? 133 THR   AaA OG1 1 ? 
ATOM   458  C CG2 . THR   A 1 60  ? -2.725  -8.811  -9.905  1.000 25.074 ? 133 THR   AaA CG2 1 ? 
ATOM   459  N N   . MET   A 1 61  ? -4.216  -10.744 -12.992 1.000 18.702 ? 134 MET   AaA N   1 ? 
ATOM   460  C CA  . MET   A 1 61  ? -3.830  -12.072 -13.511 1.000 18.606 ? 134 MET   AaA CA  1 ? 
ATOM   461  C C   . MET   A 1 61  ? -2.932  -11.884 -14.742 1.000 18.868 ? 134 MET   AaA C   1 ? 
ATOM   462  O O   . MET   A 1 61  ? -1.920  -12.619 -14.878 1.000 19.158 ? 134 MET   AaA O   1 ? 
ATOM   463  C CB  . MET   A 1 61  ? -5.063  -12.904 -13.859 1.000 18.018 ? 134 MET   AaA CB  1 ? 
ATOM   464  C CG  . MET   A 1 61  ? -5.829  -13.340 -12.621 1.000 17.638 ? 134 MET   AaA CG  1 ? 
ATOM   465  S SD  . MET   A 1 61  ? -7.370  -14.179 -13.036 1.000 19.008 ? 134 MET   AaA SD  1 ? 
ATOM   466  C CE  . MET   A 1 61  ? -6.746  -15.667 -13.812 1.000 19.252 ? 134 MET   AaA CE  1 ? 
ATOM   467  N N   . ARG   A 1 62  ? -3.304  -11.012 -15.666 1.000 20.247 ? 135 ARG   AaA N   1 ? 
ATOM   468  C CA  . ARG   A 1 62  ? -2.486  -10.836 -16.892 1.000 22.740 ? 135 ARG   AaA CA  1 ? 
ATOM   469  C C   . ARG   A 1 62  ? -1.087  -10.357 -16.538 1.000 22.306 ? 135 ARG   AaA C   1 ? 
ATOM   470  O O   . ARG   A 1 62  ? -0.113  -10.872 -17.120 1.000 23.956 ? 135 ARG   AaA O   1 ? 
ATOM   471  C CB  . ARG   A 1 62  ? -3.184  -9.863  -17.831 1.000 25.359 ? 135 ARG   AaA CB  1 ? 
ATOM   472  C CG  . ARG   A 1 62  ? -4.413  -10.487 -18.467 1.000 27.924 ? 135 ARG   AaA CG  1 ? 
ATOM   473  C CD  . ARG   A 1 62  ? -4.879  -9.658  -19.645 1.000 29.333 ? 135 ARG   AaA CD  1 ? 
ATOM   474  N NE  . ARG   A 1 62  ? -5.392  -8.349  -19.250 1.000 30.388 ? 135 ARG   AaA NE  1 ? 
ATOM   475  C CZ  . ARG   A 1 62  ? -6.601  -8.125  -18.739 1.000 30.535 ? 135 ARG   AaA CZ  1 ? 
ATOM   476  N NH1 . ARG   A 1 62  ? -6.982  -6.892  -18.444 1.000 32.160 ? 135 ARG   AaA NH1 1 ? 
ATOM   477  N NH2 . ARG   A 1 62  ? -7.432  -9.130  -18.533 1.000 28.160 ? 135 ARG   AaA NH2 1 ? 
ATOM   478  N N   . LYS   A 1 63  ? -0.989  -9.395  -15.625 1.000 22.514 ? 136 LYS   AaA N   1 ? 
ATOM   479  C CA  . LYS   A 1 63  ? 0.315   -8.854  -15.169 1.000 26.690 ? 136 LYS   AaA CA  1 ? 
ATOM   480  C C   . LYS   A 1 63  ? 1.184   -10.004 -14.647 1.000 26.157 ? 136 LYS   AaA C   1 ? 
ATOM   481  O O   . LYS   A 1 63  ? 2.398   -10.043 -14.965 1.000 28.276 ? 136 LYS   AaA O   1 ? 
ATOM   482  C CB  . LYS   A 1 63  ? 0.044   -7.785  -14.117 1.000 30.763 ? 136 LYS   AaA CB  1 ? 
ATOM   483  C CG  . LYS   A 1 63  ? 1.211   -6.873  -13.793 1.000 36.307 ? 136 LYS   AaA CG  1 ? 
ATOM   484  C CD  . LYS   A 1 63  ? 0.807   -5.755  -12.858 1.000 39.846 ? 136 LYS   AaA CD  1 ? 
ATOM   485  C CE  . LYS   A 1 63  ? 1.989   -4.975  -12.321 1.000 47.211 ? 136 LYS   AaA CE  1 ? 
ATOM   486  N NZ  . LYS   A 1 63  ? 2.665   -5.700  -11.218 1.000 51.094 ? 136 LYS   AaA NZ  1 ? 
ATOM   487  N N   . LEU   A 1 64  ? 0.596   -10.951 -13.912 1.000 22.599 ? 137 LEU   AaA N   1 ? 
ATOM   488  C CA  . LEU   A 1 64  ? 1.336   -12.067 -13.262 1.000 24.186 ? 137 LEU   AaA CA  1 ? 
ATOM   489  C C   . LEU   A 1 64  ? 1.336   -13.359 -14.087 1.000 20.539 ? 137 LEU   AaA C   1 ? 
ATOM   490  O O   . LEU   A 1 64  ? 1.826   -14.382 -13.584 1.000 21.929 ? 137 LEU   AaA O   1 ? 
ATOM   491  C CB  . LEU   A 1 64  ? 0.688   -12.316 -11.900 1.000 26.832 ? 137 LEU   AaA CB  1 ? 
ATOM   492  C CG  . LEU   A 1 64  ? 0.734   -11.136 -10.941 1.000 34.152 ? 137 LEU   AaA CG  1 ? 
ATOM   493  C CD1 . LEU   A 1 64  ? 0.025   -11.488 -9.644  1.000 37.651 ? 137 LEU   AaA CD1 1 ? 
ATOM   494  C CD2 . LEU   A 1 64  ? 2.176   -10.707 -10.682 1.000 36.045 ? 137 LEU   AaA CD2 1 ? 
ATOM   495  N N   . HIS   A 1 65  ? 0.830   -13.348 -15.323 1.000 19.305 ? 138 HIS   AaA N   1 ? 
ATOM   496  C CA  . HIS   A 1 65  ? 0.794   -14.546 -16.191 1.000 19.417 ? 138 HIS   AaA CA  1 ? 
ATOM   497  C C   . HIS   A 1 65  ? 0.010   -15.671 -15.529 1.000 17.907 ? 138 HIS   AaA C   1 ? 
ATOM   498  O O   . HIS   A 1 65  ? 0.384   -16.831 -15.688 1.000 18.819 ? 138 HIS   AaA O   1 ? 
ATOM   499  C CB  . HIS   A 1 65  ? 2.213   -14.984 -16.581 1.000 21.607 ? 138 HIS   AaA CB  1 ? 
ATOM   500  C CG  . HIS   A 1 65  ? 2.847   -14.105 -17.600 1.000 25.413 ? 138 HIS   AaA CG  1 ? 
ATOM   501  N ND1 . HIS   A 1 65  ? 3.683   -14.614 -18.574 1.000 29.664 ? 138 HIS   AaA ND1 1 ? 
ATOM   502  C CD2 . HIS   A 1 65  ? 2.742   -12.779 -17.822 1.000 27.833 ? 138 HIS   AaA CD2 1 ? 
ATOM   503  C CE1 . HIS   A 1 65  ? 4.099   -13.622 -19.342 1.000 31.466 ? 138 HIS   AaA CE1 1 ? 
ATOM   504  N NE2 . HIS   A 1 65  ? 3.548   -12.481 -18.893 1.000 30.231 ? 138 HIS   AaA NE2 1 ? 
ATOM   505  N N   . LEU   A 1 66  ? -1.089  -15.304 -14.869 1.000 18.590 ? 139 LEU   AaA N   1 ? 
ATOM   506  C CA  . LEU   A 1 66  ? -1.974  -16.318 -14.256 1.000 19.291 ? 139 LEU   AaA CA  1 ? 
ATOM   507  C C   . LEU   A 1 66  ? -3.180  -16.562 -15.136 1.000 18.220 ? 139 LEU   AaA C   1 ? 
ATOM   508  O O   . LEU   A 1 66  ? -3.690  -15.643 -15.790 1.000 18.060 ? 139 LEU   AaA O   1 ? 
ATOM   509  C CB  . LEU   A 1 66  ? -2.452  -15.866 -12.879 1.000 18.329 ? 139 LEU   AaA CB  1 ? 
ATOM   510  C CG  . LEU   A 1 66  ? -1.356  -15.536 -11.888 1.000 20.968 ? 139 LEU   AaA CG  1 ? 
ATOM   511  C CD1 . LEU   A 1 66  ? -1.945  -15.034 -10.588 1.000 21.573 ? 139 LEU   AaA CD1 1 ? 
ATOM   512  C CD2 . LEU   A 1 66  ? -0.487  -16.758 -11.662 1.000 24.599 ? 139 LEU   AaA CD2 1 ? 
ATOM   513  N N   . ILE   A 1 67  ? -3.638  -17.793 -15.071 1.000 19.432 ? 140 ILE   AaA N   1 ? 
ATOM   514  C CA  . ILE   A 1 67  ? -4.899  -18.223 -15.704 1.000 19.484 ? 140 ILE   AaA CA  1 ? 
ATOM   515  C C   . ILE   A 1 67  ? -5.708  -19.004 -14.676 1.000 19.558 ? 140 ILE   AaA C   1 ? 
ATOM   516  O O   . ILE   A 1 67  ? -5.158  -19.555 -13.725 1.000 18.616 ? 140 ILE   AaA O   1 ? 
ATOM   517  C CB  . ILE   A 1 67  ? -4.595  -19.074 -16.936 1.000 21.294 ? 140 ILE   AaA CB  1 ? 
ATOM   518  C CG1 . ILE   A 1 67  ? -3.672  -20.241 -16.582 1.000 24.188 ? 140 ILE   AaA CG1 1 ? 
ATOM   519  C CG2 . ILE   A 1 67  ? -4.013  -18.201 -18.044 1.000 21.353 ? 140 ILE   AaA CG2 1 ? 
ATOM   520  C CD1 . ILE   A 1 67  ? -3.546  -21.259 -17.662 1.000 27.140 ? 140 ILE   AaA CD1 1 ? 
ATOM   521  N N   . TRP   A 1 68  ? -7.005  -19.087 -14.923 1.000 18.068 ? 141 TRP   AaA N   1 ? 
ATOM   522  C CA  . TRP   A 1 68  ? -7.902  -20.011 -14.205 1.000 18.645 ? 141 TRP   AaA CA  1 ? 
ATOM   523  C C   . TRP   A 1 68  ? -7.828  -21.374 -14.893 1.000 17.926 ? 141 TRP   AaA C   1 ? 
ATOM   524  O O   . TRP   A 1 68  ? -7.911  -21.448 -16.124 1.000 20.340 ? 141 TRP   AaA O   1 ? 
ATOM   525  C CB  . TRP   A 1 68  ? -9.337  -19.475 -14.220 1.000 18.900 ? 141 TRP   AaA CB  1 ? 
ATOM   526  C CG  . TRP   A 1 68  ? -9.746  -18.567 -13.098 1.000 18.152 ? 141 TRP   AaA CG  1 ? 
ATOM   527  C CD1 . TRP   A 1 68  ? -9.881  -18.860 -11.771 1.000 18.289 ? 141 TRP   AaA CD1 1 ? 
ATOM   528  C CD2 . TRP   A 1 68  ? -10.168 -17.204 -13.250 1.000 16.989 ? 141 TRP   AaA CD2 1 ? 
ATOM   529  N NE1 . TRP   A 1 68  ? -10.361 -17.774 -11.088 1.000 18.284 ? 141 TRP   AaA NE1 1 ? 
ATOM   530  C CE2 . TRP   A 1 68  ? -10.574 -16.751 -11.970 1.000 17.654 ? 141 TRP   AaA CE2 1 ? 
ATOM   531  C CE3 . TRP   A 1 68  ? -10.305 -16.359 -14.344 1.000 17.360 ? 141 TRP   AaA CE3 1 ? 
ATOM   532  C CZ2 . TRP   A 1 68  ? -11.036 -15.452 -11.761 1.000 18.712 ? 141 TRP   AaA CZ2 1 ? 
ATOM   533  C CZ3 . TRP   A 1 68  ? -10.753 -15.077 -14.142 1.000 18.219 ? 141 TRP   AaA CZ3 1 ? 
ATOM   534  C CH2 . TRP   A 1 68  ? -11.118 -14.634 -12.868 1.000 18.851 ? 141 TRP   AaA CH2 1 ? 
ATOM   535  N N   . VAL   A 1 69  ? -7.666  -22.421 -14.106 1.000 17.293 ? 142 VAL   AaA N   1 ? 
ATOM   536  C CA  A VAL   A 1 69  ? -7.740  -23.815 -14.628 0.500 18.412 ? 142 VAL   AaA CA  1 ? 
ATOM   537  C CA  B VAL   A 1 69  ? -7.659  -23.834 -14.572 0.500 18.462 ? 142 VAL   AaA CA  1 ? 
ATOM   538  C C   . VAL   A 1 69  ? -8.680  -24.643 -13.760 1.000 17.789 ? 142 VAL   AaA C   1 ? 
ATOM   539  O O   . VAL   A 1 69  ? -8.751  -24.470 -12.540 1.000 16.532 ? 142 VAL   AaA O   1 ? 
ATOM   540  C CB  A VAL   A 1 69  ? -6.375  -24.511 -14.748 0.500 20.087 ? 142 VAL   AaA CB  1 ? 
ATOM   541  C CB  B VAL   A 1 69  ? -6.224  -24.389 -14.479 0.500 20.455 ? 142 VAL   AaA CB  1 ? 
ATOM   542  C CG1 A VAL   A 1 69  ? -5.392  -23.669 -15.549 0.500 21.696 ? 142 VAL   AaA CG1 1 ? 
ATOM   543  C CG1 B VAL   A 1 69  ? -6.162  -25.893 -14.600 0.500 21.916 ? 142 VAL   AaA CG1 1 ? 
ATOM   544  C CG2 A VAL   A 1 69  ? -5.811  -24.872 -13.395 0.500 19.780 ? 142 VAL   AaA CG2 1 ? 
ATOM   545  C CG2 B VAL   A 1 69  ? -5.354  -23.746 -15.551 0.500 21.993 ? 142 VAL   AaA CG2 1 ? 
ATOM   546  N N   . THR   A 1 70  ? -9.402  -25.526 -14.409 1.000 16.859 ? 143 THR   AaA N   1 ? 
ATOM   547  C CA  . THR   A 1 70  ? -10.328 -26.414 -13.702 1.000 17.144 ? 143 THR   AaA CA  1 ? 
ATOM   548  C C   . THR   A 1 70  ? -9.538  -27.406 -12.862 1.000 17.333 ? 143 THR   AaA C   1 ? 
ATOM   549  O O   . THR   A 1 70  ? -8.656  -28.090 -13.404 1.000 19.111 ? 143 THR   AaA O   1 ? 
ATOM   550  C CB  . THR   A 1 70  ? -11.267 -27.139 -14.657 1.000 18.812 ? 143 THR   AaA CB  1 ? 
ATOM   551  O OG1 . THR   A 1 70  ? -11.983 -26.151 -15.400 1.000 22.381 ? 143 THR   AaA OG1 1 ? 
ATOM   552  C CG2 . THR   A 1 70  ? -12.243 -28.035 -13.933 1.000 21.335 ? 143 THR   AaA CG2 1 ? 
ATOM   553  N N   . ALA   A 1 71  ? -9.862  -27.507 -11.586 1.000 15.425 ? 144 ALA   AaA N   1 ? 
ATOM   554  C CA  . ALA   A 1 71  ? -9.335  -28.533 -10.665 1.000 16.621 ? 144 ALA   AaA CA  1 ? 
ATOM   555  C C   . ALA   A 1 71  ? -10.340 -29.664 -10.458 1.000 17.128 ? 144 ALA   AaA C   1 ? 
ATOM   556  O O   . ALA   A 1 71  ? -9.922  -30.811 -10.280 1.000 19.040 ? 144 ALA   AaA O   1 ? 
ATOM   557  C CB  . ALA   A 1 71  ? -8.977  -27.910 -9.337  1.000 18.716 ? 144 ALA   AaA CB  1 ? 
ATOM   558  N N   . ARG   A 1 72  ? -11.635 -29.375 -10.434 1.000 15.915 ? 145 ARG   AaA N   1 ? 
ATOM   559  C CA  . ARG   A 1 72  ? -12.670 -30.392 -10.207 1.000 17.330 ? 145 ARG   AaA CA  1 ? 
ATOM   560  C C   . ARG   A 1 72  ? -13.928 -29.957 -10.933 1.000 17.135 ? 145 ARG   AaA C   1 ? 
ATOM   561  O O   . ARG   A 1 72  ? -14.261 -28.760 -10.963 1.000 17.332 ? 145 ARG   AaA O   1 ? 
ATOM   562  C CB  . ARG   A 1 72  ? -12.931 -30.580 -8.712  1.000 20.057 ? 145 ARG   AaA CB  1 ? 
ATOM   563  C CG  . ARG   A 1 72  ? -13.859 -31.722 -8.332  1.000 24.030 ? 145 ARG   AaA CG  1 ? 
ATOM   564  C CD  . ARG   A 1 72  ? -13.927 -31.782 -6.811  1.000 29.049 ? 145 ARG   AaA CD  1 ? 
ATOM   565  N NE  . ARG   A 1 72  ? -14.831 -32.768 -6.228  1.000 36.386 ? 145 ARG   AaA NE  1 ? 
ATOM   566  C CZ  . ARG   A 1 72  ? -14.466 -33.918 -5.650  1.000 40.117 ? 145 ARG   AaA CZ  1 ? 
ATOM   567  N NH1 . ARG   A 1 72  ? -13.196 -34.289 -5.586  1.000 42.286 ? 145 ARG   AaA NH1 1 ? 
ATOM   568  N NH2 . ARG   A 1 72  ? -15.398 -34.709 -5.142  1.000 44.987 ? 145 ARG   AaA NH2 1 ? 
ATOM   569  N N   . MET   A 1 73  ? -14.612 -30.943 -11.479 1.000 17.605 ? 146 MET   AaA N   1 ? 
ATOM   570  C CA  A MET   A 1 73  ? -15.910 -30.760 -12.166 0.500 19.471 ? 146 MET   AaA CA  1 ? 
ATOM   571  C CA  B MET   A 1 73  ? -15.919 -30.768 -12.145 0.500 19.863 ? 146 MET   AaA CA  1 ? 
ATOM   572  C C   . MET   A 1 73  ? -16.873 -31.810 -11.608 1.000 19.075 ? 146 MET   AaA C   1 ? 
ATOM   573  O O   . MET   A 1 73  ? -16.459 -32.988 -11.474 1.000 20.190 ? 146 MET   AaA O   1 ? 
ATOM   574  C CB  A MET   A 1 73  ? -15.702 -30.888 -13.681 0.500 20.798 ? 146 MET   AaA CB  1 ? 
ATOM   575  C CB  B MET   A 1 73  ? -15.822 -31.000 -13.645 0.500 21.941 ? 146 MET   AaA CB  1 ? 
ATOM   576  C CG  A MET   A 1 73  ? -16.955 -30.870 -14.539 0.500 21.258 ? 146 MET   AaA CG  1 ? 
ATOM   577  C CG  B MET   A 1 73  ? -15.124 -29.910 -14.367 0.500 24.214 ? 146 MET   AaA CG  1 ? 
ATOM   578  S SD  A MET   A 1 73  ? -17.921 -29.355 -14.377 0.500 27.233 ? 146 MET   AaA SD  1 ? 
ATOM   579  S SD  B MET   A 1 73  ? -16.187 -29.478 -15.727 0.500 27.187 ? 146 MET   AaA SD  1 ? 
ATOM   580  C CE  A MET   A 1 73  ? -17.764 -28.658 -16.018 0.500 23.282 ? 146 MET   AaA CE  1 ? 
ATOM   581  C CE  B MET   A 1 73  ? -17.673 -29.126 -14.785 0.500 21.136 ? 146 MET   AaA CE  1 ? 
ATOM   582  N N   . HIS   A 1 74  ? -18.099 -31.416 -11.303 1.000 17.650 ? 147 HIS   AaA N   1 ? 
ATOM   583  C CA  . HIS   A 1 74  ? -19.129 -32.340 -10.809 1.000 17.363 ? 147 HIS   AaA CA  1 ? 
ATOM   584  C C   . HIS   A 1 74  ? -20.400 -32.008 -11.561 1.000 18.192 ? 147 HIS   AaA C   1 ? 
ATOM   585  O O   . HIS   A 1 74  ? -20.873 -30.863 -11.437 1.000 17.681 ? 147 HIS   AaA O   1 ? 
ATOM   586  C CB  . HIS   A 1 74  ? -19.282 -32.240 -9.289  1.000 19.397 ? 147 HIS   AaA CB  1 ? 
ATOM   587  C CG  . HIS   A 1 74  ? -20.319 -33.134 -8.715  1.000 22.231 ? 147 HIS   AaA CG  1 ? 
ATOM   588  N ND1 . HIS   A 1 74  ? -20.119 -34.475 -8.480  1.000 24.283 ? 147 HIS   AaA ND1 1 ? 
ATOM   589  C CD2 . HIS   A 1 74  ? -21.583 -32.876 -8.318  1.000 27.567 ? 147 HIS   AaA CD2 1 ? 
ATOM   590  C CE1 . HIS   A 1 74  ? -21.189 -34.992 -7.924  1.000 25.449 ? 147 HIS   AaA CE1 1 ? 
ATOM   591  N NE2 . HIS   A 1 74  ? -22.131 -34.048 -7.877  1.000 26.460 ? 147 HIS   AaA NE2 1 ? 
ATOM   592  N N   . ILE   A 1 75  ? -20.920 -32.965 -12.297 1.000 15.867 ? 148 ILE   AaA N   1 ? 
ATOM   593  C CA  . ILE   A 1 75  ? -22.138 -32.771 -13.115 1.000 16.068 ? 148 ILE   AaA CA  1 ? 
ATOM   594  C C   . ILE   A 1 75  ? -23.153 -33.831 -12.719 1.000 16.326 ? 148 ILE   AaA C   1 ? 
ATOM   595  O O   . ILE   A 1 75  ? -22.782 -35.018 -12.638 1.000 16.647 ? 148 ILE   AaA O   1 ? 
ATOM   596  C CB  . ILE   A 1 75  ? -21.826 -32.851 -14.616 1.000 16.351 ? 148 ILE   AaA CB  1 ? 
ATOM   597  C CG1 . ILE   A 1 75  ? -20.743 -31.861 -15.042 1.000 17.421 ? 148 ILE   AaA CG1 1 ? 
ATOM   598  C CG2 . ILE   A 1 75  ? -23.105 -32.683 -15.439 1.000 18.057 ? 148 ILE   AaA CG2 1 ? 
ATOM   599  C CD1 . ILE   A 1 75  ? -20.301 -32.059 -16.483 1.000 17.999 ? 148 ILE   AaA CD1 1 ? 
ATOM   600  N N   . GLU   A 1 76  ? -24.403 -33.435 -12.518 1.000 15.403 ? 149 GLU   AaA N   1 ? 
ATOM   601  C CA  A GLU   A 1 76  ? -25.523 -34.386 -12.346 0.500 16.248 ? 149 GLU   AaA CA  1 ? 
ATOM   602  C CA  B GLU   A 1 76  ? -25.535 -34.374 -12.324 0.500 16.690 ? 149 GLU   AaA CA  1 ? 
ATOM   603  C C   . GLU   A 1 76  ? -26.592 -34.039 -13.374 1.000 16.273 ? 149 GLU   AaA C   1 ? 
ATOM   604  O O   . GLU   A 1 76  ? -27.015 -32.877 -13.443 1.000 17.268 ? 149 GLU   AaA O   1 ? 
ATOM   605  C CB  A GLU   A 1 76  ? -26.075 -34.360 -10.925 0.500 17.141 ? 149 GLU   AaA CB  1 ? 
ATOM   606  C CB  B GLU   A 1 76  ? -26.092 -34.303 -10.900 0.500 18.519 ? 149 GLU   AaA CB  1 ? 
ATOM   607  C CG  A GLU   A 1 76  ? -27.296 -35.246 -10.758 0.500 18.627 ? 149 GLU   AaA CG  1 ? 
ATOM   608  C CG  B GLU   A 1 76  ? -25.065 -34.632 -9.829  0.500 21.943 ? 149 GLU   AaA CG  1 ? 
ATOM   609  C CD  A GLU   A 1 76  ? -27.625 -35.578 -9.320  0.500 22.030 ? 149 GLU   AaA CD  1 ? 
ATOM   610  C CD  B GLU   A 1 76  ? -25.610 -34.939 -8.437  0.500 24.599 ? 149 GLU   AaA CD  1 ? 
ATOM   611  O OE1 A GLU   A 1 76  ? -27.274 -34.764 -8.442  0.500 24.943 ? 149 GLU   AaA OE1 1 ? 
ATOM   612  O OE1 B GLU   A 1 76  ? -26.843 -35.081 -8.314  0.500 26.182 ? 149 GLU   AaA OE1 1 ? 
ATOM   613  O OE2 A GLU   A 1 76  ? -28.231 -36.645 -9.095  0.500 25.772 ? 149 GLU   AaA OE2 1 ? 
ATOM   614  O OE2 B GLU   A 1 76  ? -24.794 -35.023 -7.469  0.500 23.910 ? 149 GLU   AaA OE2 1 ? 
ATOM   615  N N   . ILE   A 1 77  ? -26.983 -35.032 -14.136 1.000 16.334 ? 150 ILE   AaA N   1 ? 
ATOM   616  C CA  . ILE   A 1 77  ? -28.035 -34.872 -15.156 1.000 16.184 ? 150 ILE   AaA CA  1 ? 
ATOM   617  C C   . ILE   A 1 77  ? -29.208 -35.740 -14.763 1.000 18.062 ? 150 ILE   AaA C   1 ? 
ATOM   618  O O   . ILE   A 1 77  ? -29.048 -36.965 -14.645 1.000 20.010 ? 150 ILE   AaA O   1 ? 
ATOM   619  C CB  . ILE   A 1 77  ? -27.522 -35.214 -16.548 1.000 17.782 ? 150 ILE   AaA CB  1 ? 
ATOM   620  C CG1 . ILE   A 1 77  ? -26.278 -34.383 -16.854 1.000 18.248 ? 150 ILE   AaA CG1 1 ? 
ATOM   621  C CG2 . ILE   A 1 77  ? -28.630 -35.003 -17.567 1.000 17.785 ? 150 ILE   AaA CG2 1 ? 
ATOM   622  C CD1 . ILE   A 1 77  ? -26.538 -32.909 -16.976 1.000 20.605 ? 150 ILE   AaA CD1 1 ? 
ATOM   623  N N   . TYR   A 1 78  ? -30.371 -35.111 -14.683 1.000 16.973 ? 151 TYR   AaA N   1 ? 
ATOM   624  C CA  . TYR   A 1 78  ? -31.626 -35.828 -14.399 1.000 19.664 ? 151 TYR   AaA CA  1 ? 
ATOM   625  C C   . TYR   A 1 78  ? -32.276 -36.305 -15.696 1.000 20.313 ? 151 TYR   AaA C   1 ? 
ATOM   626  O O   . TYR   A 1 78  ? -32.838 -37.417 -15.730 1.000 22.542 ? 151 TYR   AaA O   1 ? 
ATOM   627  C CB  . TYR   A 1 78  ? -32.572 -34.938 -13.602 1.000 19.436 ? 151 TYR   AaA CB  1 ? 
ATOM   628  C CG  . TYR   A 1 78  ? -31.973 -34.332 -12.369 1.000 22.389 ? 151 TYR   AaA CG  1 ? 
ATOM   629  C CD1 . TYR   A 1 78  ? -31.416 -35.131 -11.386 1.000 25.382 ? 151 TYR   AaA CD1 1 ? 
ATOM   630  C CD2 . TYR   A 1 78  ? -31.994 -32.966 -12.177 1.000 26.848 ? 151 TYR   AaA CD2 1 ? 
ATOM   631  C CE1 . TYR   A 1 78  ? -30.904 -34.580 -10.226 1.000 30.046 ? 151 TYR   AaA CE1 1 ? 
ATOM   632  C CE2 . TYR   A 1 78  ? -31.480 -32.397 -11.024 1.000 30.184 ? 151 TYR   AaA CE2 1 ? 
ATOM   633  C CZ  . TYR   A 1 78  ? -30.930 -33.208 -10.051 1.000 31.410 ? 151 TYR   AaA CZ  1 ? 
ATOM   634  O OH  . TYR   A 1 78  ? -30.425 -32.650 -8.910  1.000 35.270 ? 151 TYR   AaA OH  1 ? 
ATOM   635  N N   . LYS   A 1 79  ? -32.222 -35.474 -16.722 1.000 19.267 ? 152 LYS   AaA N   1 ? 
ATOM   636  C CA  A LYS   A 1 79  ? -32.815 -35.753 -18.056 0.500 21.329 ? 152 LYS   AaA CA  1 ? 
ATOM   637  C CA  B LYS   A 1 79  ? -32.775 -35.802 -18.057 0.500 20.863 ? 152 LYS   AaA CA  1 ? 
ATOM   638  C C   . LYS   A 1 79  ? -31.922 -35.090 -19.105 1.000 20.252 ? 152 LYS   AaA C   1 ? 
ATOM   639  O O   . LYS   A 1 79  ? -31.685 -33.880 -18.966 1.000 20.221 ? 152 LYS   AaA O   1 ? 
ATOM   640  C CB  A LYS   A 1 79  ? -34.226 -35.161 -18.133 0.500 24.666 ? 152 LYS   AaA CB  1 ? 
ATOM   641  C CB  B LYS   A 1 79  ? -34.235 -35.362 -18.168 0.500 23.422 ? 152 LYS   AaA CB  1 ? 
ATOM   642  C CG  A LYS   A 1 79  ? -35.157 -35.745 -19.187 0.500 27.640 ? 152 LYS   AaA CG  1 ? 
ATOM   643  C CG  B LYS   A 1 79  ? -35.205 -36.076 -17.244 0.500 26.186 ? 152 LYS   AaA CG  1 ? 
ATOM   644  C CD  A LYS   A 1 79  ? -36.533 -35.103 -19.116 0.500 31.261 ? 152 LYS   AaA CD  1 ? 
ATOM   645  C CD  B LYS   A 1 79  ? -36.624 -35.582 -17.381 0.500 29.158 ? 152 LYS   AaA CD  1 ? 
ATOM   646  C CE  A LYS   A 1 79  ? -37.512 -35.661 -20.124 0.500 35.486 ? 152 LYS   AaA CE  1 ? 
ATOM   647  C CE  B LYS   A 1 79  ? -37.586 -36.320 -16.477 0.500 30.908 ? 152 LYS   AaA CE  1 ? 
ATOM   648  N NZ  A LYS   A 1 79  ? -38.832 -34.985 -20.059 0.500 37.457 ? 152 LYS   AaA NZ  1 ? 
ATOM   649  N NZ  B LYS   A 1 79  ? -38.966 -35.797 -16.606 0.500 33.261 ? 152 LYS   AaA NZ  1 ? 
ATOM   650  N N   . TYR   A 1 80  ? -31.465 -35.839 -20.097 1.000 19.601 ? 153 TYR   AaA N   1 ? 
ATOM   651  C CA  . TYR   A 1 80  ? -30.674 -35.258 -21.206 1.000 19.480 ? 153 TYR   AaA CA  1 ? 
ATOM   652  C C   . TYR   A 1 80  ? -31.632 -34.705 -22.235 1.000 19.242 ? 153 TYR   AaA C   1 ? 
ATOM   653  O O   . TYR   A 1 80  ? -32.592 -35.385 -22.571 1.000 21.106 ? 153 TYR   AaA O   1 ? 
ATOM   654  C CB  . TYR   A 1 80  ? -29.755 -36.288 -21.852 1.000 19.426 ? 153 TYR   AaA CB  1 ? 
ATOM   655  C CG  . TYR   A 1 80  ? -28.596 -36.693 -20.983 1.000 18.837 ? 153 TYR   AaA CG  1 ? 
ATOM   656  C CD1 . TYR   A 1 80  ? -28.713 -37.722 -20.073 1.000 19.195 ? 153 TYR   AaA CD1 1 ? 
ATOM   657  C CD2 . TYR   A 1 80  ? -27.415 -35.976 -21.005 1.000 19.200 ? 153 TYR   AaA CD2 1 ? 
ATOM   658  C CE1 . TYR   A 1 80  ? -27.645 -38.087 -19.267 1.000 18.250 ? 153 TYR   AaA CE1 1 ? 
ATOM   659  C CE2 . TYR   A 1 80  ? -26.336 -36.329 -20.214 1.000 17.970 ? 153 TYR   AaA CE2 1 ? 
ATOM   660  C CZ  . TYR   A 1 80  ? -26.458 -37.386 -19.338 1.000 18.066 ? 153 TYR   AaA CZ  1 ? 
ATOM   661  O OH  . TYR   A 1 80  ? -25.402 -37.736 -18.539 1.000 19.830 ? 153 TYR   AaA OH  1 ? 
ATOM   662  N N   . PRO   A 1 81  ? -31.406 -33.470 -22.724 1.000 19.498 ? 154 PRO   AaA N   1 ? 
ATOM   663  C CA  . PRO   A 1 81  ? -32.326 -32.879 -23.686 1.000 19.979 ? 154 PRO   AaA CA  1 ? 
ATOM   664  C C   . PRO   A 1 81  ? -32.231 -33.553 -25.048 1.000 20.008 ? 154 PRO   AaA C   1 ? 
ATOM   665  O O   . PRO   A 1 81  ? -31.143 -33.958 -25.485 1.000 20.279 ? 154 PRO   AaA O   1 ? 
ATOM   666  C CB  . PRO   A 1 81  ? -31.884 -31.427 -23.789 1.000 19.331 ? 154 PRO   AaA CB  1 ? 
ATOM   667  C CG  . PRO   A 1 81  ? -30.420 -31.453 -23.422 1.000 19.440 ? 154 PRO   AaA CG  1 ? 
ATOM   668  C CD  . PRO   A 1 81  ? -30.323 -32.545 -22.367 1.000 18.965 ? 154 PRO   AaA CD  1 ? 
ATOM   669  N N   . ALA   A 1 82  ? -33.368 -33.643 -25.732 1.000 20.958 ? 155 ALA   AaA N   1 ? 
ATOM   670  C CA  . ALA   A 1 82  ? -33.411 -34.281 -27.055 1.000 20.053 ? 155 ALA   AaA CA  1 ? 
ATOM   671  C C   . ALA   A 1 82  ? -32.891 -33.334 -28.129 1.000 19.667 ? 155 ALA   AaA C   1 ? 
ATOM   672  O O   . ALA   A 1 82  ? -32.901 -32.124 -27.993 1.000 18.082 ? 155 ALA   AaA O   1 ? 
ATOM   673  C CB  . ALA   A 1 82  ? -34.816 -34.731 -27.383 1.000 22.325 ? 155 ALA   AaA CB  1 ? 
ATOM   674  N N   . TRP   A 1 83  ? -32.486 -33.939 -29.220 1.000 19.567 ? 156 TRP   AaA N   1 ? 
ATOM   675  C CA  . TRP   A 1 83  ? -32.257 -33.263 -30.505 1.000 18.506 ? 156 TRP   AaA CA  1 ? 
ATOM   676  C C   . TRP   A 1 83  ? -33.382 -32.254 -30.787 1.000 17.918 ? 156 TRP   AaA C   1 ? 
ATOM   677  O O   . TRP   A 1 83  ? -34.561 -32.660 -30.788 1.000 20.144 ? 156 TRP   AaA O   1 ? 
ATOM   678  C CB  . TRP   A 1 83  ? -32.165 -34.332 -31.574 1.000 20.101 ? 156 TRP   AaA CB  1 ? 
ATOM   679  C CG  . TRP   A 1 83  ? -31.949 -33.831 -32.957 1.000 19.510 ? 156 TRP   AaA CG  1 ? 
ATOM   680  C CD1 . TRP   A 1 83  ? -31.461 -32.633 -33.372 1.000 18.458 ? 156 TRP   AaA CD1 1 ? 
ATOM   681  C CD2 . TRP   A 1 83  ? -32.189 -34.603 -34.142 1.000 21.352 ? 156 TRP   AaA CD2 1 ? 
ATOM   682  N NE1 . TRP   A 1 83  ? -31.366 -32.607 -34.739 1.000 19.948 ? 156 TRP   AaA NE1 1 ? 
ATOM   683  C CE2 . TRP   A 1 83  ? -31.845 -33.790 -35.238 1.000 21.920 ? 156 TRP   AaA CE2 1 ? 
ATOM   684  C CE3 . TRP   A 1 83  ? -32.696 -35.890 -34.375 1.000 25.121 ? 156 TRP   AaA CE3 1 ? 
ATOM   685  C CZ2 . TRP   A 1 83  ? -31.950 -34.228 -36.558 1.000 24.793 ? 156 TRP   AaA CZ2 1 ? 
ATOM   686  C CZ3 . TRP   A 1 83  ? -32.816 -36.314 -35.681 1.000 26.508 ? 156 TRP   AaA CZ3 1 ? 
ATOM   687  C CH2 . TRP   A 1 83  ? -32.432 -35.504 -36.752 1.000 27.259 ? 156 TRP   AaA CH2 1 ? 
ATOM   688  N N   . GLY   A 1 84  ? -33.031 -30.989 -30.965 1.000 16.110 ? 157 GLY   AaA N   1 ? 
ATOM   689  C CA  . GLY   A 1 84  ? -33.980 -29.911 -31.285 1.000 18.036 ? 157 GLY   AaA CA  1 ? 
ATOM   690  C C   . GLY   A 1 84  ? -34.637 -29.278 -30.065 1.000 17.236 ? 157 GLY   AaA C   1 ? 
ATOM   691  O O   . GLY   A 1 84  ? -35.299 -28.248 -30.242 1.000 20.265 ? 157 GLY   AaA O   1 ? 
ATOM   692  N N   . ASP   A 1 85  ? -34.431 -29.830 -28.870 1.000 17.709 ? 158 ASP   AaA N   1 ? 
ATOM   693  C CA  . ASP   A 1 85  ? -34.968 -29.235 -27.625 1.000 19.355 ? 158 ASP   AaA CA  1 ? 
ATOM   694  C C   . ASP   A 1 85  ? -34.141 -27.998 -27.294 1.000 16.830 ? 158 ASP   AaA C   1 ? 
ATOM   695  O O   . ASP   A 1 85  ? -32.939 -27.919 -27.649 1.000 17.417 ? 158 ASP   AaA O   1 ? 
ATOM   696  C CB  . ASP   A 1 85  ? -34.861 -30.172 -26.428 1.000 20.940 ? 158 ASP   AaA CB  1 ? 
ATOM   697  C CG  . ASP   A 1 85  ? -35.844 -31.329 -26.398 1.000 26.033 ? 158 ASP   AaA CG  1 ? 
ATOM   698  O OD1 . ASP   A 1 85  ? -36.711 -31.380 -27.300 1.000 27.449 ? 158 ASP   AaA OD1 1 ? 
ATOM   699  O OD2 . ASP   A 1 85  ? -35.733 -32.165 -25.455 1.000 27.991 ? 158 ASP   AaA OD2 1 ? 
ATOM   700  N N   . VAL   A 1 86  ? -34.754 -27.077 -26.564 1.000 18.269 ? 159 VAL   AaA N   1 ? 
ATOM   701  C CA  . VAL   A 1 86  ? -34.067 -25.881 -26.029 1.000 18.264 ? 159 VAL   AaA CA  1 ? 
ATOM   702  C C   . VAL   A 1 86  ? -33.701 -26.161 -24.582 1.000 17.787 ? 159 VAL   AaA C   1 ? 
ATOM   703  O O   . VAL   A 1 86  ? -34.580 -26.529 -23.772 1.000 20.111 ? 159 VAL   AaA O   1 ? 
ATOM   704  C CB  . VAL   A 1 86  ? -34.966 -24.650 -26.146 1.000 21.205 ? 159 VAL   AaA CB  1 ? 
ATOM   705  C CG1 . VAL   A 1 86  ? -34.272 -23.416 -25.604 1.000 25.972 ? 159 VAL   AaA CG1 1 ? 
ATOM   706  C CG2 . VAL   A 1 86  ? -35.373 -24.425 -27.589 1.000 24.658 ? 159 VAL   AaA CG2 1 ? 
ATOM   707  N N   . VAL   A 1 87  ? -32.417 -26.059 -24.269 1.000 17.313 ? 160 VAL   AaA N   1 ? 
ATOM   708  C CA  . VAL   A 1 87  ? -31.956 -26.144 -22.861 1.000 17.924 ? 160 VAL   AaA CA  1 ? 
ATOM   709  C C   . VAL   A 1 87  ? -31.507 -24.740 -22.461 1.000 18.541 ? 160 VAL   AaA C   1 ? 
ATOM   710  O O   . VAL   A 1 87  ? -30.765 -24.078 -23.214 1.000 20.595 ? 160 VAL   AaA O   1 ? 
ATOM   711  C CB  . VAL   A 1 87  ? -30.876 -27.208 -22.649 1.000 22.856 ? 160 VAL   AaA CB  1 ? 
ATOM   712  C CG1 . VAL   A 1 87  ? -29.669 -26.965 -23.512 1.000 23.237 ? 160 VAL   AaA CG1 1 ? 
ATOM   713  C CG2 . VAL   A 1 87  ? -30.463 -27.317 -21.187 1.000 25.747 ? 160 VAL   AaA CG2 1 ? 
ATOM   714  N N   . GLU   A 1 88  ? -31.967 -24.296 -21.299 1.000 17.320 ? 161 GLU   AaA N   1 ? 
ATOM   715  C CA  A GLU   A 1 88  ? -31.531 -22.984 -20.761 0.500 17.344 ? 161 GLU   AaA CA  1 ? 
ATOM   716  C CA  B GLU   A 1 88  ? -31.617 -23.007 -20.699 0.500 18.138 ? 161 GLU   AaA CA  1 ? 
ATOM   717  C C   . GLU   A 1 88  ? -30.605 -23.272 -19.584 1.000 16.086 ? 161 GLU   AaA C   1 ? 
ATOM   718  O O   . GLU   A 1 88  ? -30.914 -24.117 -18.731 1.000 17.291 ? 161 GLU   AaA O   1 ? 
ATOM   719  C CB  A GLU   A 1 88  ? -32.646 -22.003 -20.352 0.500 17.528 ? 161 GLU   AaA CB  1 ? 
ATOM   720  C CB  B GLU   A 1 88  ? -32.932 -22.419 -20.194 0.500 19.770 ? 161 GLU   AaA CB  1 ? 
ATOM   721  C CG  A GLU   A 1 88  ? -32.113 -20.602 -20.025 0.500 19.910 ? 161 GLU   AaA CG  1 ? 
ATOM   722  C CG  B GLU   A 1 88  ? -32.797 -21.045 -19.601 0.500 22.133 ? 161 GLU   AaA CG  1 ? 
ATOM   723  C CD  A GLU   A 1 88  ? -33.133 -19.558 -19.597 0.500 22.925 ? 161 GLU   AaA CD  1 ? 
ATOM   724  C CD  B GLU   A 1 88  ? -34.128 -20.332 -19.428 0.500 24.664 ? 161 GLU   AaA CD  1 ? 
ATOM   725  O OE1 A GLU   A 1 88  ? -33.767 -19.765 -18.536 0.500 23.516 ? 161 GLU   AaA OE1 1 ? 
ATOM   726  O OE1 B GLU   A 1 88  ? -35.185 -20.980 -19.614 0.500 24.466 ? 161 GLU   AaA OE1 1 ? 
ATOM   727  O OE2 A GLU   A 1 88  ? -33.243 -18.520 -20.292 0.500 27.543 ? 161 GLU   AaA OE2 1 ? 
ATOM   728  O OE2 B GLU   A 1 88  ? -34.098 -19.130 -19.109 0.500 29.676 ? 161 GLU   AaA OE2 1 ? 
ATOM   729  N N   . ILE   A 1 89  ? -29.475 -22.599 -19.605 1.000 15.043 ? 162 ILE   AaA N   1 ? 
ATOM   730  C CA  . ILE   A 1 89  ? -28.460 -22.783 -18.551 1.000 14.876 ? 162 ILE   AaA CA  1 ? 
ATOM   731  C C   . ILE   A 1 89  ? -28.269 -21.445 -17.873 1.000 14.698 ? 162 ILE   AaA C   1 ? 
ATOM   732  O O   . ILE   A 1 89  ? -27.996 -20.459 -18.569 1.000 15.983 ? 162 ILE   AaA O   1 ? 
ATOM   733  C CB  . ILE   A 1 89  ? -27.157 -23.355 -19.120 1.000 15.402 ? 162 ILE   AaA CB  1 ? 
ATOM   734  C CG1 . ILE   A 1 89  ? -27.431 -24.577 -20.005 1.000 15.799 ? 162 ILE   AaA CG1 1 ? 
ATOM   735  C CG2 . ILE   A 1 89  ? -26.212 -23.661 -17.965 1.000 16.490 ? 162 ILE   AaA CG2 1 ? 
ATOM   736  C CD1 . ILE   A 1 89  ? -26.198 -25.258 -20.572 1.000 16.954 ? 162 ILE   AaA CD1 1 ? 
ATOM   737  N N   . GLU   A 1 90  ? -28.332 -21.474 -16.549 1.000 14.843 ? 163 GLU   AaA N   1 ? 
ATOM   738  C CA  . GLU   A 1 90  ? -27.955 -20.293 -15.741 1.000 15.133 ? 163 GLU   AaA CA  1 ? 
ATOM   739  C C   . GLU   A 1 90  ? -26.625 -20.596 -15.059 1.000 14.260 ? 163 GLU   AaA C   1 ? 
ATOM   740  O O   . GLU   A 1 90  ? -26.454 -21.709 -14.551 1.000 15.267 ? 163 GLU   AaA O   1 ? 
ATOM   741  C CB  . GLU   A 1 90  ? -29.008 -19.950 -14.690 1.000 16.326 ? 163 GLU   AaA CB  1 ? 
ATOM   742  C CG  . GLU   A 1 90  ? -28.659 -18.691 -13.914 1.000 17.082 ? 163 GLU   AaA CG  1 ? 
ATOM   743  C CD  . GLU   A 1 90  ? -29.682 -18.284 -12.870 1.000 18.605 ? 163 GLU   AaA CD  1 ? 
ATOM   744  O OE1 . GLU   A 1 90  ? -30.612 -19.070 -12.582 1.000 21.467 ? 163 GLU   AaA OE1 1 ? 
ATOM   745  O OE2 . GLU   A 1 90  ? -29.497 -17.170 -12.311 1.000 20.329 ? 163 GLU   AaA OE2 1 ? 
ATOM   746  N N   . THR   A 1 91  ? -25.720 -19.623 -15.065 1.000 13.629 ? 164 THR   AaA N   1 ? 
ATOM   747  C CA  . THR   A 1 91  ? -24.385 -19.810 -14.446 1.000 14.189 ? 164 THR   AaA CA  1 ? 
ATOM   748  C C   . THR   A 1 91  ? -24.015 -18.587 -13.611 1.000 13.933 ? 164 THR   AaA C   1 ? 
ATOM   749  O O   . THR   A 1 91  ? -24.463 -17.481 -13.897 1.000 15.352 ? 164 THR   AaA O   1 ? 
ATOM   750  C CB  . THR   A 1 91  ? -23.355 -20.128 -15.525 1.000 14.812 ? 164 THR   AaA CB  1 ? 
ATOM   751  O OG1 . THR   A 1 91  ? -22.129 -20.555 -14.909 1.000 14.169 ? 164 THR   AaA OG1 1 ? 
ATOM   752  C CG2 . THR   A 1 91  ? -23.087 -18.976 -16.455 1.000 14.277 ? 164 THR   AaA CG2 1 ? 
ATOM   753  N N   . TRP   A 1 92  ? -23.192 -18.847 -12.605 1.000 13.716 ? 165 TRP   AaA N   1 ? 
ATOM   754  C CA  . TRP   A 1 92  ? -22.642 -17.793 -11.741 1.000 13.926 ? 165 TRP   AaA CA  1 ? 
ATOM   755  C C   . TRP   A 1 92  ? -21.336 -18.296 -11.150 1.000 13.405 ? 165 TRP   AaA C   1 ? 
ATOM   756  O O   . TRP   A 1 92  ? -21.064 -19.513 -11.164 1.000 14.414 ? 165 TRP   AaA O   1 ? 
ATOM   757  C CB  . TRP   A 1 92  ? -23.631 -17.366 -10.643 1.000 14.651 ? 165 TRP   AaA CB  1 ? 
ATOM   758  C CG  . TRP   A 1 92  ? -23.990 -18.454 -9.689  1.000 15.176 ? 165 TRP   AaA CG  1 ? 
ATOM   759  C CD1 . TRP   A 1 92  ? -23.416 -18.683 -8.472  1.000 15.615 ? 165 TRP   AaA CD1 1 ? 
ATOM   760  C CD2 . TRP   A 1 92  ? -24.970 -19.489 -9.869  1.000 15.884 ? 165 TRP   AaA CD2 1 ? 
ATOM   761  N NE1 . TRP   A 1 92  ? -23.960 -19.786 -7.900  1.000 16.035 ? 165 TRP   AaA NE1 1 ? 
ATOM   762  C CE2 . TRP   A 1 92  ? -24.927 -20.302 -8.719  1.000 15.414 ? 165 TRP   AaA CE2 1 ? 
ATOM   763  C CE3 . TRP   A 1 92  ? -25.896 -19.808 -10.870 1.000 17.838 ? 165 TRP   AaA CE3 1 ? 
ATOM   764  C CZ2 . TRP   A 1 92  ? -25.767 -21.386 -8.527  1.000 17.940 ? 165 TRP   AaA CZ2 1 ? 
ATOM   765  C CZ3 . TRP   A 1 92  ? -26.721 -20.892 -10.680 1.000 18.370 ? 165 TRP   AaA CZ3 1 ? 
ATOM   766  C CH2 . TRP   A 1 92  ? -26.653 -21.671 -9.527  1.000 18.177 ? 165 TRP   AaA CH2 1 ? 
ATOM   767  N N   . CYS   A 1 93  ? -20.569 -17.375 -10.598 1.000 13.219 ? 166 CYS   AaA N   1 ? 
ATOM   768  C CA  . CYS   A 1 93  ? -19.335 -17.695 -9.902  1.000 14.167 ? 166 CYS   AaA CA  1 ? 
ATOM   769  C C   . CYS   A 1 93  ? -19.408 -17.229 -8.461  1.000 14.048 ? 166 CYS   AaA C   1 ? 
ATOM   770  O O   . CYS   A 1 93  ? -20.137 -16.279 -8.166  1.000 15.244 ? 166 CYS   AaA O   1 ? 
ATOM   771  C CB  . CYS   A 1 93  ? -18.140 -17.015 -10.536 1.000 14.341 ? 166 CYS   AaA CB  1 ? 
ATOM   772  S SG  . CYS   A 1 93  ? -17.813 -17.558 -12.233 1.000 17.130 ? 166 CYS   AaA SG  1 ? 
ATOM   773  N N   . GLN   A 1 94  ? -18.573 -17.834 -7.633  1.000 13.772 ? 167 GLN   AaA N   1 ? 
ATOM   774  C CA  . GLN   A 1 94  ? -18.371 -17.360 -6.246  1.000 14.632 ? 167 GLN   AaA CA  1 ? 
ATOM   775  C C   . GLN   A 1 94  ? -16.912 -17.497 -5.885  1.000 15.103 ? 167 GLN   AaA C   1 ? 
ATOM   776  O O   . GLN   A 1 94  ? -16.255 -18.472 -6.254  1.000 15.351 ? 167 GLN   AaA O   1 ? 
ATOM   777  C CB  . GLN   A 1 94  ? -19.217 -18.128 -5.239  1.000 17.737 ? 167 GLN   AaA CB  1 ? 
ATOM   778  C CG  . GLN   A 1 94  ? -20.706 -17.974 -5.484  1.000 19.327 ? 167 GLN   AaA CG  1 ? 
ATOM   779  C CD  . GLN   A 1 94  ? -21.492 -18.036 -4.195  1.000 20.039 ? 167 GLN   AaA CD  1 ? 
ATOM   780  O OE1 . GLN   A 1 94  ? -21.782 -19.123 -3.677  1.000 21.126 ? 167 GLN   AaA OE1 1 ? 
ATOM   781  N NE2 . GLN   A 1 94  ? -21.831 -16.876 -3.656  1.000 18.322 ? 167 GLN   AaA NE2 1 ? 
ATOM   782  N N   . SER   A 1 95  ? -16.422 -16.541 -5.130  1.000 15.643 ? 168 SER   AaA N   1 ? 
ATOM   783  C CA  . SER   A 1 95  ? -15.089 -16.629 -4.529  1.000 16.141 ? 168 SER   AaA CA  1 ? 
ATOM   784  C C   . SER   A 1 95  ? -14.975 -17.845 -3.625  1.000 16.108 ? 168 SER   AaA C   1 ? 
ATOM   785  O O   . SER   A 1 95  ? -15.909 -18.137 -2.853  1.000 17.678 ? 168 SER   AaA O   1 ? 
ATOM   786  C CB  . SER   A 1 95  ? -14.830 -15.392 -3.760  1.000 17.391 ? 168 SER   AaA CB  1 ? 
ATOM   787  O OG  . SER   A 1 95  ? -13.561 -15.461 -3.156  1.000 18.613 ? 168 SER   AaA OG  1 ? 
ATOM   788  N N   . GLU   A 1 96  ? -13.848 -18.542 -3.697  1.000 15.236 ? 169 GLU   AaA N   1 ? 
ATOM   789  C CA  . GLU   A 1 96  ? -13.490 -19.576 -2.695  1.000 16.804 ? 169 GLU   AaA CA  1 ? 
ATOM   790  C C   . GLU   A 1 96  ? -12.258 -19.092 -1.930  1.000 17.317 ? 169 GLU   AaA C   1 ? 
ATOM   791  O O   . GLU   A 1 96  ? -11.285 -19.845 -1.764  1.000 17.011 ? 169 GLU   AaA O   1 ? 
ATOM   792  C CB  . GLU   A 1 96  ? -13.303 -20.950 -3.324  1.000 18.586 ? 169 GLU   AaA CB  1 ? 
ATOM   793  C CG  . GLU   A 1 96  ? -14.572 -21.488 -3.941  1.000 22.131 ? 169 GLU   AaA CG  1 ? 
ATOM   794  C CD  . GLU   A 1 96  ? -14.553 -22.982 -4.210  1.000 25.766 ? 169 GLU   AaA CD  1 ? 
ATOM   795  O OE1 . GLU   A 1 96  ? -15.633 -23.580 -4.208  1.000 26.876 ? 169 GLU   AaA OE1 1 ? 
ATOM   796  O OE2 . GLU   A 1 96  ? -13.471 -23.530 -4.417  1.000 33.580 ? 169 GLU   AaA OE2 1 ? 
ATOM   797  N N   . GLY   A 1 97  ? -12.271 -17.847 -1.513  1.000 17.604 ? 170 GLY   AaA N   1 ? 
ATOM   798  C CA  . GLY   A 1 97  ? -11.167 -17.313 -0.697  1.000 18.178 ? 170 GLY   AaA CA  1 ? 
ATOM   799  C C   . GLY   A 1 97  ? -9.860  -17.418 -1.437  1.000 19.152 ? 170 GLY   AaA C   1 ? 
ATOM   800  O O   . GLY   A 1 97  ? -9.799  -17.118 -2.654  1.000 22.291 ? 170 GLY   AaA O   1 ? 
ATOM   801  N N   . ARG   A 1 98  ? -8.824  -17.882 -0.769  1.000 18.266 ? 171 ARG   AaA N   1 ? 
ATOM   802  C CA  . ARG   A 1 98  ? -7.482  -17.962 -1.379  1.000 19.540 ? 171 ARG   AaA CA  1 ? 
ATOM   803  C C   . ARG   A 1 98  ? -7.401  -19.192 -2.269  1.000 18.876 ? 171 ARG   AaA C   1 ? 
ATOM   804  O O   . ARG   A 1 98  ? -6.449  -19.252 -3.054  1.000 20.065 ? 171 ARG   AaA O   1 ? 
ATOM   805  C CB  . ARG   A 1 98  ? -6.394  -18.200 -0.331  1.000 24.592 ? 171 ARG   AaA CB  1 ? 
ATOM   806  C CG  . ARG   A 1 98  ? -6.365  -17.188 0.792   1.000 28.737 ? 171 ARG   AaA CG  1 ? 
ATOM   807  C CD  . ARG   A 1 98  ? -6.003  -15.866 0.203   1.000 28.352 ? 171 ARG   AaA CD  1 ? 
ATOM   808  N NE  . ARG   A 1 98  ? -5.798  -14.857 1.227   1.000 30.599 ? 171 ARG   AaA NE  1 ? 
ATOM   809  C CZ  . ARG   A 1 98  ? -5.852  -13.554 0.987   1.000 31.293 ? 171 ARG   AaA CZ  1 ? 
ATOM   810  N NH1 . ARG   A 1 98  ? -6.095  -13.108 -0.244  1.000 31.139 ? 171 ARG   AaA NH1 1 ? 
ATOM   811  N NH2 . ARG   A 1 98  ? -5.679  -12.702 1.983   1.000 33.832 ? 171 ARG   AaA NH2 1 ? 
ATOM   812  N N   . ILE   A 1 99  ? -8.312  -20.147 -2.129  1.000 18.499 ? 172 ILE   AaA N   1 ? 
ATOM   813  C CA  . ILE   A 1 99  ? -8.202  -21.464 -2.819  1.000 18.744 ? 172 ILE   AaA CA  1 ? 
ATOM   814  C C   . ILE   A 1 99  ? -8.395  -21.256 -4.324  1.000 18.760 ? 172 ILE   AaA C   1 ? 
ATOM   815  O O   . ILE   A 1 99  ? -7.733  -21.922 -5.152  1.000 20.660 ? 172 ILE   AaA O   1 ? 
ATOM   816  C CB  . ILE   A 1 99  ? -9.214  -22.483 -2.266  1.000 22.433 ? 172 ILE   AaA CB  1 ? 
ATOM   817  C CG1 . ILE   A 1 99  ? -8.880  -22.838 -0.818  1.000 24.109 ? 172 ILE   AaA CG1 1 ? 
ATOM   818  C CG2 . ILE   A 1 99  ? -9.286  -23.737 -3.135  1.000 25.606 ? 172 ILE   AaA CG2 1 ? 
ATOM   819  C CD1 . ILE   A 1 99  ? -9.898  -23.724 -0.151  1.000 27.932 ? 172 ILE   AaA CD1 1 ? 
ATOM   820  N N   . GLY   A 1 100 ? -9.359  -20.450 -4.718  1.000 16.963 ? 173 GLY   AaA N   1 ? 
ATOM   821  C CA  . GLY   A 1 100 ? -9.769  -20.394 -6.125  1.000 17.309 ? 173 GLY   AaA CA  1 ? 
ATOM   822  C C   . GLY   A 1 100 ? -11.142 -19.784 -6.244  1.000 16.481 ? 173 GLY   AaA C   1 ? 
ATOM   823  O O   . GLY   A 1 100 ? -11.544 -18.902 -5.435  1.000 16.712 ? 173 GLY   AaA O   1 ? 
ATOM   824  N N   . THR   A 1 101 ? -11.854 -20.238 -7.263  1.000 14.921 ? 174 THR   AaA N   1 ? 
ATOM   825  C CA  . THR   A 1 101 ? -13.102 -19.635 -7.721  1.000 14.789 ? 174 THR   AaA CA  1 ? 
ATOM   826  C C   . THR   A 1 101 ? -14.016 -20.766 -8.159  1.000 14.710 ? 174 THR   AaA C   1 ? 
ATOM   827  O O   . THR   A 1 101 ? -13.559 -21.698 -8.850  1.000 16.878 ? 174 THR   AaA O   1 ? 
ATOM   828  C CB  . THR   A 1 101 ? -12.847 -18.654 -8.863  1.000 16.145 ? 174 THR   AaA CB  1 ? 
ATOM   829  O OG1 . THR   A 1 101 ? -11.755 -17.796 -8.541  1.000 17.744 ? 174 THR   AaA OG1 1 ? 
ATOM   830  C CG2 . THR   A 1 101 ? -14.084 -17.860 -9.221  1.000 17.201 ? 174 THR   AaA CG2 1 ? 
ATOM   831  N N   . ARG   A 1 102 ? -15.272 -20.707 -7.789  1.000 14.176 ? 175 ARG   AaA N   1 ? 
ATOM   832  C CA  . ARG   A 1 102 ? -16.258 -21.699 -8.186  1.000 14.648 ? 175 ARG   AaA CA  1 ? 
ATOM   833  C C   . ARG   A 1 102 ? -17.092 -21.152 -9.327  1.000 15.116 ? 175 ARG   AaA C   1 ? 
ATOM   834  O O   . ARG   A 1 102 ? -17.437 -19.955 -9.320  1.000 15.532 ? 175 ARG   AaA O   1 ? 
ATOM   835  C CB  . ARG   A 1 102 ? -17.139 -22.000 -6.974  1.000 16.983 ? 175 ARG   AaA CB  1 ? 
ATOM   836  C CG  . ARG   A 1 102 ? -17.734 -23.389 -6.945  1.000 21.859 ? 175 ARG   AaA CG  1 ? 
ATOM   837  C CD  . ARG   A 1 102 ? -18.500 -23.639 -5.666  1.000 21.267 ? 175 ARG   AaA CD  1 ? 
ATOM   838  N NE  . ARG   A 1 102 ? -19.792 -23.036 -5.780  1.000 22.526 ? 175 ARG   AaA NE  1 ? 
ATOM   839  C CZ  . ARG   A 1 102 ? -20.302 -22.033 -5.074  1.000 21.704 ? 175 ARG   AaA CZ  1 ? 
ATOM   840  N NH1 . ARG   A 1 102 ? -21.502 -21.654 -5.416  1.000 22.497 ? 175 ARG   AaA NH1 1 ? 
ATOM   841  N NH2 . ARG   A 1 102 ? -19.684 -21.424 -4.071  1.000 24.595 ? 175 ARG   AaA NH2 1 ? 
ATOM   842  N N   . ARG   A 1 103 ? -17.451 -22.028 -10.252 1.000 14.047 ? 176 ARG   AaA N   1 ? 
ATOM   843  C CA  . ARG   A 1 103 ? -18.510 -21.733 -11.244 1.000 13.862 ? 176 ARG   AaA CA  1 ? 
ATOM   844  C C   . ARG   A 1 103 ? -19.565 -22.801 -11.099 1.000 13.554 ? 176 ARG   AaA C   1 ? 
ATOM   845  O O   . ARG   A 1 103 ? -19.246 -23.989 -11.114 1.000 14.491 ? 176 ARG   AaA O   1 ? 
ATOM   846  C CB  . ARG   A 1 103 ? -18.018 -21.633 -12.687 1.000 13.778 ? 176 ARG   AaA CB  1 ? 
ATOM   847  C CG  . ARG   A 1 103 ? -19.169 -21.406 -13.666 1.000 14.118 ? 176 ARG   AaA CG  1 ? 
ATOM   848  C CD  . ARG   A 1 103 ? -18.785 -21.109 -15.097 1.000 15.030 ? 176 ARG   AaA CD  1 ? 
ATOM   849  N NE  . ARG   A 1 103 ? -18.109 -19.851 -15.259 1.000 14.740 ? 176 ARG   AaA NE  1 ? 
ATOM   850  C CZ  . ARG   A 1 103 ? -18.708 -18.684 -15.345 1.000 14.647 ? 176 ARG   AaA CZ  1 ? 
ATOM   851  N NH1 . ARG   A 1 103 ? -17.988 -17.596 -15.523 1.000 15.241 ? 176 ARG   AaA NH1 1 ? 
ATOM   852  N NH2 . ARG   A 1 103 ? -20.007 -18.603 -15.218 1.000 14.686 ? 176 ARG   AaA NH2 1 ? 
ATOM   853  N N   . ASP   A 1 104 ? -20.810 -22.382 -10.952 1.000 13.224 ? 177 ASP   AaA N   1 ? 
ATOM   854  C CA  . ASP   A 1 104 ? -21.959 -23.283 -10.820 1.000 14.047 ? 177 ASP   AaA CA  1 ? 
ATOM   855  C C   . ASP   A 1 104 ? -22.884 -23.091 -12.013 1.000 12.808 ? 177 ASP   AaA C   1 ? 
ATOM   856  O O   . ASP   A 1 104 ? -22.887 -22.019 -12.627 1.000 13.584 ? 177 ASP   AaA O   1 ? 
ATOM   857  C CB  . ASP   A 1 104 ? -22.700 -23.048 -9.512  1.000 15.142 ? 177 ASP   AaA CB  1 ? 
ATOM   858  C CG  . ASP   A 1 104 ? -22.036 -23.636 -8.294  1.000 17.417 ? 177 ASP   AaA CG  1 ? 
ATOM   859  O OD1 . ASP   A 1 104 ? -20.870 -24.007 -8.365  1.000 18.433 ? 177 ASP   AaA OD1 1 ? 
ATOM   860  O OD2 . ASP   A 1 104 ? -22.698 -23.700 -7.264  1.000 19.625 ? 177 ASP   AaA OD2 1 ? 
ATOM   861  N N   . TRP   A 1 105 ? -23.653 -24.117 -12.300 1.000 12.774 ? 178 TRP   AaA N   1 ? 
ATOM   862  C CA  . TRP   A 1 105 ? -24.634 -24.055 -13.394 1.000 13.361 ? 178 TRP   AaA CA  1 ? 
ATOM   863  C C   . TRP   A 1 105 ? -25.883 -24.805 -12.991 1.000 13.880 ? 178 TRP   AaA C   1 ? 
ATOM   864  O O   . TRP   A 1 105 ? -25.810 -25.840 -12.329 1.000 14.242 ? 178 TRP   AaA O   1 ? 
ATOM   865  C CB  . TRP   A 1 105 ? -24.094 -24.707 -14.663 1.000 13.921 ? 178 TRP   AaA CB  1 ? 
ATOM   866  C CG  . TRP   A 1 105 ? -22.846 -24.216 -15.308 1.000 14.077 ? 178 TRP   AaA CG  1 ? 
ATOM   867  C CD1 . TRP   A 1 105 ? -22.753 -23.490 -16.455 1.000 13.894 ? 178 TRP   AaA CD1 1 ? 
ATOM   868  C CD2 . TRP   A 1 105 ? -21.501 -24.630 -14.998 1.000 13.169 ? 178 TRP   AaA CD2 1 ? 
ATOM   869  N NE1 . TRP   A 1 105 ? -21.445 -23.359 -16.842 1.000 13.206 ? 178 TRP   AaA NE1 1 ? 
ATOM   870  C CE2 . TRP   A 1 105 ? -20.663 -24.066 -15.974 1.000 12.902 ? 178 TRP   AaA CE2 1 ? 
ATOM   871  C CE3 . TRP   A 1 105 ? -20.935 -25.422 -13.996 1.000 14.270 ? 178 TRP   AaA CE3 1 ? 
ATOM   872  C CZ2 . TRP   A 1 105 ? -19.291 -24.304 -15.997 1.000 13.177 ? 178 TRP   AaA CZ2 1 ? 
ATOM   873  C CZ3 . TRP   A 1 105 ? -19.571 -25.639 -14.014 1.000 14.696 ? 178 TRP   AaA CZ3 1 ? 
ATOM   874  C CH2 . TRP   A 1 105 ? -18.773 -25.091 -15.006 1.000 13.882 ? 178 TRP   AaA CH2 1 ? 
ATOM   875  N N   . ILE   A 1 106 ? -27.013 -24.323 -13.491 1.000 14.451 ? 179 ILE   AaA N   1 ? 
ATOM   876  C CA  A ILE   A 1 106 ? -28.310 -25.048 -13.427 0.500 15.599 ? 179 ILE   AaA CA  1 ? 
ATOM   877  C CA  B ILE   A 1 106 ? -28.321 -25.029 -13.428 0.500 15.791 ? 179 ILE   AaA CA  1 ? 
ATOM   878  C C   . ILE   A 1 106 ? -28.883 -25.133 -14.853 1.000 14.802 ? 179 ILE   AaA C   1 ? 
ATOM   879  O O   . ILE   A 1 106 ? -28.959 -24.103 -15.595 1.000 15.997 ? 179 ILE   AaA O   1 ? 
ATOM   880  C CB  A ILE   A 1 106 ? -29.301 -24.385 -12.444 0.500 17.575 ? 179 ILE   AaA CB  1 ? 
ATOM   881  C CB  B ILE   A 1 106 ? -29.323 -24.309 -12.500 0.500 17.950 ? 179 ILE   AaA CB  1 ? 
ATOM   882  C CG1 A ILE   A 1 106 ? -28.777 -24.378 -11.007 0.500 19.894 ? 179 ILE   AaA CG1 1 ? 
ATOM   883  C CG1 B ILE   A 1 106 ? -28.777 -24.144 -11.084 0.500 19.641 ? 179 ILE   AaA CG1 1 ? 
ATOM   884  C CG2 A ILE   A 1 106 ? -30.669 -25.047 -12.550 0.500 19.249 ? 179 ILE   AaA CG2 1 ? 
ATOM   885  C CG2 B ILE   A 1 106 ? -30.665 -25.032 -12.525 0.500 19.788 ? 179 ILE   AaA CG2 1 ? 
ATOM   886  C CD1 A ILE   A 1 106 ? -29.639 -23.569 -10.057 0.500 20.607 ? 179 ILE   AaA CD1 1 ? 
ATOM   887  C CD1 B ILE   A 1 106 ? -28.738 -25.428 -10.322 0.500 20.014 ? 179 ILE   AaA CD1 1 ? 
ATOM   888  N N   . LEU   A 1 107 ? -29.261 -26.358 -15.219 1.000 15.871 ? 180 LEU   AaA N   1 ? 
ATOM   889  C CA  . LEU   A 1 107 ? -29.826 -26.617 -16.551 1.000 16.923 ? 180 LEU   AaA CA  1 ? 
ATOM   890  C C   . LEU   A 1 107 ? -31.323 -26.772 -16.419 1.000 19.141 ? 180 LEU   AaA C   1 ? 
ATOM   891  O O   . LEU   A 1 107 ? -31.782 -27.479 -15.519 1.000 20.286 ? 180 LEU   AaA O   1 ? 
ATOM   892  C CB  . LEU   A 1 107 ? -29.219 -27.877 -17.184 1.000 19.961 ? 180 LEU   AaA CB  1 ? 
ATOM   893  C CG  . LEU   A 1 107 ? -27.729 -27.769 -17.486 1.000 22.061 ? 180 LEU   AaA CG  1 ? 
ATOM   894  C CD1 . LEU   A 1 107 ? -26.903 -28.309 -16.340 1.000 25.016 ? 180 LEU   AaA CD1 1 ? 
ATOM   895  C CD2 . LEU   A 1 107 ? -27.370 -28.480 -18.789 1.000 23.254 ? 180 LEU   AaA CD2 1 ? 
ATOM   896  N N   . LYS   A 1 108 ? -32.035 -26.182 -17.369 1.000 20.149 ? 181 LYS   AaA N   1 ? 
ATOM   897  C CA  . LYS   A 1 108 ? -33.504 -26.277 -17.379 1.000 22.942 ? 181 LYS   AaA CA  1 ? 
ATOM   898  C C   . LYS   A 1 108 ? -33.955 -26.649 -18.773 1.000 22.091 ? 181 LYS   AaA C   1 ? 
ATOM   899  O O   . LYS   A 1 108 ? -33.386 -26.190 -19.733 1.000 22.307 ? 181 LYS   AaA O   1 ? 
ATOM   900  C CB  . LYS   A 1 108 ? -34.112 -24.959 -16.912 1.000 24.304 ? 181 LYS   AaA CB  1 ? 
ATOM   901  C CG  . LYS   A 1 108 ? -33.987 -24.768 -15.417 1.000 23.307 ? 181 LYS   AaA CG  1 ? 
ATOM   902  C CD  . LYS   A 1 108 ? -34.755 -23.537 -14.963 1.000 27.542 ? 181 LYS   AaA CD  1 ? 
ATOM   903  C CE  . LYS   A 1 108 ? -34.816 -23.417 -13.462 1.000 28.666 ? 181 LYS   AaA CE  1 ? 
ATOM   904  N NZ  . LYS   A 1 108 ? -35.526 -22.180 -13.044 1.000 36.666 ? 181 LYS   AaA NZ  1 ? 
ATOM   905  N N   . ASP   A 1 109 ? -34.994 -27.472 -18.822 1.000 25.887 ? 182 ASP   AaA N   1 ? 
ATOM   906  C CA  . ASP   A 1 109 ? -35.827 -27.621 -20.035 1.000 26.618 ? 182 ASP   AaA CA  1 ? 
ATOM   907  C C   . ASP   A 1 109 ? -36.560 -26.294 -20.228 1.000 28.548 ? 182 ASP   AaA C   1 ? 
ATOM   908  O O   . ASP   A 1 109 ? -37.322 -25.927 -19.325 1.000 27.433 ? 182 ASP   AaA O   1 ? 
ATOM   909  C CB  . ASP   A 1 109 ? -36.744 -28.825 -19.868 1.000 30.042 ? 182 ASP   AaA CB  1 ? 
ATOM   910  C CG  . ASP   A 1 109 ? -37.685 -29.051 -21.039 1.000 36.168 ? 182 ASP   AaA CG  1 ? 
ATOM   911  O OD1 . ASP   A 1 109 ? -38.118 -28.052 -21.649 1.000 39.813 ? 182 ASP   AaA OD1 1 ? 
ATOM   912  O OD2 . ASP   A 1 109 ? -37.972 -30.224 -21.330 1.000 43.247 ? 182 ASP   AaA OD2 1 ? 
ATOM   913  N N   . SER   A 1 110 ? -36.300 -25.571 -21.313 1.000 26.710 ? 183 SER   AaA N   1 ? 
ATOM   914  C CA  . SER   A 1 110 ? -36.779 -24.168 -21.473 1.000 30.821 ? 183 SER   AaA CA  1 ? 
ATOM   915  C C   . SER   A 1 110 ? -38.309 -24.145 -21.642 1.000 34.128 ? 183 SER   AaA C   1 ? 
ATOM   916  O O   . SER   A 1 110 ? -38.922 -23.106 -21.328 1.000 36.280 ? 183 SER   AaA O   1 ? 
ATOM   917  C CB  . SER   A 1 110 ? -36.061 -23.475 -22.596 1.000 35.917 ? 183 SER   AaA CB  1 ? 
ATOM   918  O OG  . SER   A 1 110 ? -36.287 -22.078 -22.542 1.000 43.286 ? 183 SER   AaA OG  1 ? 
ATOM   919  N N   . VAL   A 1 111 ? -38.898 -25.249 -22.103 1.000 35.952 ? 184 VAL   AaA N   1 ? 
ATOM   920  C CA  . VAL   A 1 111 ? -40.372 -25.392 -22.329 1.000 38.953 ? 184 VAL   AaA CA  1 ? 
ATOM   921  C C   . VAL   A 1 111 ? -41.066 -25.685 -20.989 1.000 40.857 ? 184 VAL   AaA C   1 ? 
ATOM   922  O O   . VAL   A 1 111 ? -42.017 -24.957 -20.657 1.000 42.188 ? 184 VAL   AaA O   1 ? 
ATOM   923  C CB  . VAL   A 1 111 ? -40.656 -26.449 -23.415 1.000 40.887 ? 184 VAL   AaA CB  1 ? 
ATOM   924  C CG1 . VAL   A 1 111 ? -42.109 -26.899 -23.452 1.000 42.703 ? 184 VAL   AaA CG1 1 ? 
ATOM   925  C CG2 . VAL   A 1 111 ? -40.225 -25.945 -24.789 1.000 41.278 ? 184 VAL   AaA CG2 1 ? 
ATOM   926  N N   . THR   A 1 112 ? -40.605 -26.668 -20.215 1.000 41.247 ? 185 THR   AaA N   1 ? 
ATOM   927  C CA  . THR   A 1 112 ? -41.271 -27.061 -18.938 1.000 41.658 ? 185 THR   AaA CA  1 ? 
ATOM   928  C C   . THR   A 1 112 ? -40.842 -26.143 -17.777 1.000 40.767 ? 185 THR   AaA C   1 ? 
ATOM   929  O O   . THR   A 1 112 ? -41.630 -26.006 -16.816 1.000 45.410 ? 185 THR   AaA O   1 ? 
ATOM   930  C CB  . THR   A 1 112 ? -41.033 -28.543 -18.631 1.000 44.497 ? 185 THR   AaA CB  1 ? 
ATOM   931  O OG1 . THR   A 1 112 ? -39.653 -28.705 -18.313 1.000 44.098 ? 185 THR   AaA OG1 1 ? 
ATOM   932  C CG2 . THR   A 1 112 ? -41.417 -29.453 -19.779 1.000 45.251 ? 185 THR   AaA CG2 1 ? 
ATOM   933  N N   . GLY   A 1 113 ? -39.655 -25.533 -17.856 1.000 38.645 ? 186 GLY   AaA N   1 ? 
ATOM   934  C CA  . GLY   A 1 113 ? -39.025 -24.792 -16.743 1.000 36.804 ? 186 GLY   AaA CA  1 ? 
ATOM   935  C C   . GLY   A 1 113 ? -38.490 -25.718 -15.655 1.000 33.725 ? 186 GLY   AaA C   1 ? 
ATOM   936  O O   . GLY   A 1 113 ? -38.076 -25.231 -14.589 1.000 36.107 ? 186 GLY   AaA O   1 ? 
ATOM   937  N N   . GLU   A 1 114 ? -38.477 -27.027 -15.882 1.000 32.875 ? 187 GLU   AaA N   1 ? 
ATOM   938  C CA  . GLU   A 1 114 ? -38.039 -27.951 -14.815 1.000 31.048 ? 187 GLU   AaA CA  1 ? 
ATOM   939  C C   . GLU   A 1 114 ? -36.510 -28.017 -14.845 1.000 27.297 ? 187 GLU   AaA C   1 ? 
ATOM   940  O O   . GLU   A 1 114 ? -35.923 -27.910 -15.953 1.000 28.170 ? 187 GLU   AaA O   1 ? 
ATOM   941  C CB  . GLU   A 1 114 ? -38.653 -29.336 -14.964 1.000 36.803 ? 187 GLU   AaA CB  1 ? 
ATOM   942  C CG  . GLU   A 1 114 ? -38.244 -30.044 -16.231 1.000 44.701 ? 187 GLU   AaA CG  1 ? 
ATOM   943  C CD  . GLU   A 1 114 ? -39.069 -31.282 -16.529 1.000 50.349 ? 187 GLU   AaA CD  1 ? 
ATOM   944  O OE1 . GLU   A 1 114 ? -39.649 -31.845 -15.574 1.000 56.768 ? 187 GLU   AaA OE1 1 ? 
ATOM   945  O OE2 . GLU   A 1 114 ? -39.139 -31.668 -17.713 1.000 57.016 ? 187 GLU   AaA OE2 1 ? 
ATOM   946  N N   . VAL   A 1 115 ? -35.907 -28.247 -13.683 1.000 22.877 ? 188 VAL   AaA N   1 ? 
ATOM   947  C CA  . VAL   A 1 115 ? -34.438 -28.471 -13.585 1.000 21.031 ? 188 VAL   AaA CA  1 ? 
ATOM   948  C C   . VAL   A 1 115 ? -34.141 -29.866 -14.102 1.000 20.741 ? 188 VAL   AaA C   1 ? 
ATOM   949  O O   . VAL   A 1 115 ? -34.720 -30.848 -13.603 1.000 22.709 ? 188 VAL   AaA O   1 ? 
ATOM   950  C CB  . VAL   A 1 115 ? -33.906 -28.282 -12.160 1.000 22.883 ? 188 VAL   AaA CB  1 ? 
ATOM   951  C CG1 . VAL   A 1 115 ? -32.416 -28.594 -12.095 1.000 23.141 ? 188 VAL   AaA CG1 1 ? 
ATOM   952  C CG2 . VAL   A 1 115 ? -34.187 -26.867 -11.656 1.000 25.006 ? 188 VAL   AaA CG2 1 ? 
ATOM   953  N N   . THR   A 1 116 ? -33.277 -29.927 -15.104 1.000 18.680 ? 189 THR   AaA N   1 ? 
ATOM   954  C CA  . THR   A 1 116 ? -32.871 -31.185 -15.751 1.000 18.457 ? 189 THR   AaA CA  1 ? 
ATOM   955  C C   . THR   A 1 116 ? -31.412 -31.525 -15.434 1.000 16.910 ? 189 THR   AaA C   1 ? 
ATOM   956  O O   . THR   A 1 116 ? -31.006 -32.631 -15.728 1.000 17.333 ? 189 THR   AaA O   1 ? 
ATOM   957  C CB  . THR   A 1 116 ? -33.114 -31.105 -17.252 1.000 19.801 ? 189 THR   AaA CB  1 ? 
ATOM   958  O OG1 . THR   A 1 116 ? -32.442 -29.954 -17.763 1.000 21.397 ? 189 THR   AaA OG1 1 ? 
ATOM   959  C CG2 . THR   A 1 116 ? -34.595 -31.068 -17.564 1.000 21.114 ? 189 THR   AaA CG2 1 ? 
ATOM   960  N N   . GLY   A 1 117 ? -30.670 -30.623 -14.816 1.000 17.092 ? 190 GLY   AaA N   1 ? 
ATOM   961  C CA  . GLY   A 1 117 ? -29.300 -30.955 -14.406 1.000 15.896 ? 190 GLY   AaA CA  1 ? 
ATOM   962  C C   . GLY   A 1 117 ? -28.669 -29.818 -13.634 1.000 15.867 ? 190 GLY   AaA C   1 ? 
ATOM   963  O O   . GLY   A 1 117 ? -29.216 -28.695 -13.573 1.000 16.104 ? 190 GLY   AaA O   1 ? 
ATOM   964  N N   . ARG   A 1 118 ? -27.539 -30.127 -13.031 1.000 16.384 ? 191 ARG   AaA N   1 ? 
ATOM   965  C CA  A ARG   A 1 118 ? -26.814 -29.206 -12.124 0.500 15.679 ? 191 ARG   AaA CA  1 ? 
ATOM   966  C CA  B ARG   A 1 118 ? -26.796 -29.126 -12.245 0.500 16.838 ? 191 ARG   AaA CA  1 ? 
ATOM   967  C C   . ARG   A 1 118 ? -25.318 -29.478 -12.283 1.000 14.616 ? 191 ARG   AaA C   1 ? 
ATOM   968  O O   . ARG   A 1 118 ? -24.963 -30.651 -12.510 1.000 15.716 ? 191 ARG   AaA O   1 ? 
ATOM   969  C CB  A ARG   A 1 118 ? -27.231 -29.399 -10.656 0.500 15.424 ? 191 ARG   AaA CB  1 ? 
ATOM   970  C CB  B ARG   A 1 118 ? -27.309 -29.018 -10.807 0.500 19.538 ? 191 ARG   AaA CB  1 ? 
ATOM   971  C CG  A ARG   A 1 118 ? -28.714 -29.198 -10.361 0.500 18.114 ? 191 ARG   AaA CG  1 ? 
ATOM   972  C CG  B ARG   A 1 118 ? -27.569 -30.352 -10.121 0.500 21.271 ? 191 ARG   AaA CG  1 ? 
ATOM   973  C CD  A ARG   A 1 118 ? -29.112 -29.732 -8.990  0.500 20.490 ? 191 ARG   AaA CD  1 ? 
ATOM   974  C CD  B ARG   A 1 118 ? -28.122 -30.165 -8.714  0.500 26.272 ? 191 ARG   AaA CD  1 ? 
ATOM   975  N NE  A ARG   A 1 118 ? -30.525 -29.515 -8.679  0.500 23.761 ? 191 ARG   AaA NE  1 ? 
ATOM   976  N NE  B ARG   A 1 118 ? -28.991 -28.991 -8.655  0.500 30.541 ? 191 ARG   AaA NE  1 ? 
ATOM   977  C CZ  A ARG   A 1 118 ? -31.044 -28.365 -8.270  0.500 25.049 ? 191 ARG   AaA CZ  1 ? 
ATOM   978  C CZ  B ARG   A 1 118 ? -30.303 -28.997 -8.399  0.500 33.226 ? 191 ARG   AaA CZ  1 ? 
ATOM   979  N NH1 A ARG   A 1 118 ? -30.268 -27.307 -8.095  0.500 26.214 ? 191 ARG   AaA NH1 1 ? 
ATOM   980  N NH1 B ARG   A 1 118 ? -30.949 -30.128 -8.166  0.500 34.584 ? 191 ARG   AaA NH1 1 ? 
ATOM   981  N NH2 A ARG   A 1 118 ? -32.343 -28.283 -8.033  0.500 26.395 ? 191 ARG   AaA NH2 1 ? 
ATOM   982  N NH2 B ARG   A 1 118 ? -30.967 -27.855 -8.386  0.500 34.804 ? 191 ARG   AaA NH2 1 ? 
ATOM   983  N N   . ALA   A 1 119 ? -24.500 -28.471 -12.101 1.000 14.495 ? 192 ALA   AaA N   1 ? 
ATOM   984  C CA  . ALA   A 1 119 ? -23.041 -28.672 -12.174 1.000 14.110 ? 192 ALA   AaA CA  1 ? 
ATOM   985  C C   . ALA   A 1 119 ? -22.323 -27.668 -11.296 1.000 14.474 ? 192 ALA   AaA C   1 ? 
ATOM   986  O O   . ALA   A 1 119 ? -22.821 -26.557 -11.064 1.000 14.132 ? 192 ALA   AaA O   1 ? 
ATOM   987  C CB  . ALA   A 1 119 ? -22.559 -28.618 -13.599 1.000 14.973 ? 192 ALA   AaA CB  1 ? 
ATOM   988  N N   . THR   A 1 120 ? -21.151 -28.073 -10.834 1.000 14.665 ? 193 THR   AaA N   1 ? 
ATOM   989  C CA  . THR   A 1 120 ? -20.266 -27.166 -10.106 1.000 14.646 ? 193 THR   AaA CA  1 ? 
ATOM   990  C C   . THR   A 1 120 ? -18.835 -27.489 -10.479 1.000 14.782 ? 193 THR   AaA C   1 ? 
ATOM   991  O O   . THR   A 1 120 ? -18.503 -28.621 -10.794 1.000 17.020 ? 193 THR   AaA O   1 ? 
ATOM   992  C CB  . THR   A 1 120 ? -20.534 -27.267 -8.598  1.000 16.300 ? 193 THR   AaA CB  1 ? 
ATOM   993  O OG1 . THR   A 1 120 ? -19.726 -26.304 -7.925  1.000 17.748 ? 193 THR   AaA OG1 1 ? 
ATOM   994  C CG2 . THR   A 1 120 ? -20.219 -28.638 -8.048  1.000 17.891 ? 193 THR   AaA CG2 1 ? 
ATOM   995  N N   . SER   A 1 121 ? -18.006 -26.481 -10.420 1.000 15.331 ? 194 SER   AaA N   1 ? 
ATOM   996  C CA  . SER   A 1 121 ? -16.585 -26.616 -10.783 1.000 15.135 ? 194 SER   AaA CA  1 ? 
ATOM   997  C C   . SER   A 1 121 ? -15.740 -25.765 -9.858  1.000 14.888 ? 194 SER   AaA C   1 ? 
ATOM   998  O O   . SER   A 1 121 ? -16.172 -24.660 -9.454  1.000 16.648 ? 194 SER   AaA O   1 ? 
ATOM   999  C CB  . SER   A 1 121 ? -16.401 -26.220 -12.205 1.000 15.159 ? 194 SER   AaA CB  1 ? 
ATOM   1000 O OG  . SER   A 1 121 ? -16.784 -24.861 -12.401 1.000 16.721 ? 194 SER   AaA OG  1 ? 
ATOM   1001 N N   . LYS   A 1 122 ? -14.562 -26.286 -9.512  1.000 14.811 ? 195 LYS   AaA N   1 ? 
ATOM   1002 C CA  . LYS   A 1 122 ? -13.550 -25.571 -8.727  1.000 15.895 ? 195 LYS   AaA CA  1 ? 
ATOM   1003 C C   . LYS   A 1 122 ? -12.439 -25.212 -9.683  1.000 15.911 ? 195 LYS   AaA C   1 ? 
ATOM   1004 O O   . LYS   A 1 122 ? -11.876 -26.139 -10.301 1.000 17.150 ? 195 LYS   AaA O   1 ? 
ATOM   1005 C CB  . LYS   A 1 122 ? -13.057 -26.429 -7.569  1.000 18.305 ? 195 LYS   AaA CB  1 ? 
ATOM   1006 C CG  . LYS   A 1 122 ? -11.876 -25.860 -6.806  1.000 21.867 ? 195 LYS   AaA CG  1 ? 
ATOM   1007 C CD  . LYS   A 1 122 ? -11.296 -26.880 -5.838  1.000 25.971 ? 195 LYS   AaA CD  1 ? 
ATOM   1008 C CE  . LYS   A 1 122 ? -9.931  -26.500 -5.315  1.000 31.007 ? 195 LYS   AaA CE  1 ? 
ATOM   1009 N NZ  . LYS   A 1 122 ? -9.567  -27.366 -4.171  1.000 35.937 ? 195 LYS   AaA NZ  1 ? 
ATOM   1010 N N   . TRP   A 1 123 ? -12.138 -23.935 -9.778  1.000 15.553 ? 196 TRP   AaA N   1 ? 
ATOM   1011 C CA  . TRP   A 1 123 ? -11.047 -23.410 -10.619 1.000 16.463 ? 196 TRP   AaA CA  1 ? 
ATOM   1012 C C   . TRP   A 1 123 ? -9.982  -22.859 -9.706  1.000 17.961 ? 196 TRP   AaA C   1 ? 
ATOM   1013 O O   . TRP   A 1 123 ? -10.299 -22.195 -8.707  1.000 18.798 ? 196 TRP   AaA O   1 ? 
ATOM   1014 C CB  . TRP   A 1 123 ? -11.536 -22.337 -11.554 1.000 16.602 ? 196 TRP   AaA CB  1 ? 
ATOM   1015 C CG  . TRP   A 1 123 ? -12.593 -22.778 -12.518 1.000 16.906 ? 196 TRP   AaA CG  1 ? 
ATOM   1016 C CD1 . TRP   A 1 123 ? -13.896 -23.054 -12.235 1.000 18.188 ? 196 TRP   AaA CD1 1 ? 
ATOM   1017 C CD2 . TRP   A 1 123 ? -12.463 -22.889 -13.941 1.000 17.055 ? 196 TRP   AaA CD2 1 ? 
ATOM   1018 N NE1 . TRP   A 1 123 ? -14.568 -23.383 -13.375 1.000 18.070 ? 196 TRP   AaA NE1 1 ? 
ATOM   1019 C CE2 . TRP   A 1 123 ? -13.723 -23.269 -14.447 1.000 18.153 ? 196 TRP   AaA CE2 1 ? 
ATOM   1020 C CE3 . TRP   A 1 123 ? -11.404 -22.729 -14.840 1.000 17.773 ? 196 TRP   AaA CE3 1 ? 
ATOM   1021 C CZ2 . TRP   A 1 123 ? -13.958 -23.476 -15.809 1.000 19.148 ? 196 TRP   AaA CZ2 1 ? 
ATOM   1022 C CZ3 . TRP   A 1 123 ? -11.635 -22.927 -16.186 1.000 19.329 ? 196 TRP   AaA CZ3 1 ? 
ATOM   1023 C CH2 . TRP   A 1 123 ? -12.894 -23.304 -16.661 1.000 19.208 ? 196 TRP   AaA CH2 1 ? 
ATOM   1024 N N   . VAL   A 1 124 ? -8.742  -23.090 -10.071 1.000 17.114 ? 197 VAL   AaA N   1 ? 
ATOM   1025 C CA  . VAL   A 1 124 ? -7.579  -22.558 -9.329  1.000 17.152 ? 197 VAL   AaA CA  1 ? 
ATOM   1026 C C   . VAL   A 1 124 ? -6.763  -21.655 -10.242 1.000 16.910 ? 197 VAL   AaA C   1 ? 
ATOM   1027 O O   . VAL   A 1 124 ? -6.880  -21.740 -11.472 1.000 19.413 ? 197 VAL   AaA O   1 ? 
ATOM   1028 C CB  . VAL   A 1 124 ? -6.736  -23.692 -8.749  1.000 19.113 ? 197 VAL   AaA CB  1 ? 
ATOM   1029 C CG1 . VAL   A 1 124 ? -7.536  -24.488 -7.733  1.000 20.358 ? 197 VAL   AaA CG1 1 ? 
ATOM   1030 C CG2 . VAL   A 1 124 ? -6.177  -24.599 -9.841  1.000 19.967 ? 197 VAL   AaA CG2 1 ? 
ATOM   1031 N N   . MET   A 1 125 ? -5.953  -20.803 -9.630  1.000 17.921 ? 198 MET   AaA N   1 ? 
ATOM   1032 C CA  . MET   A 1 125 ? -4.976  -19.955 -10.332 1.000 21.295 ? 198 MET   AaA CA  1 ? 
ATOM   1033 C C   . MET   A 1 125 ? -3.762  -20.804 -10.618 1.000 22.137 ? 198 MET   AaA C   1 ? 
ATOM   1034 O O   . MET   A 1 125 ? -3.289  -21.497 -9.722  1.000 25.154 ? 198 MET   AaA O   1 ? 
ATOM   1035 C CB  . MET   A 1 125 ? -4.433  -18.811 -9.478  1.000 26.421 ? 198 MET   AaA CB  1 ? 
ATOM   1036 C CG  . MET   A 1 125 ? -5.413  -17.833 -8.957  1.000 28.073 ? 198 MET   AaA CG  1 ? 
ATOM   1037 S SD  . MET   A 1 125 ? -5.749  -16.478 -10.109 1.000 26.367 ? 198 MET   AaA SD  1 ? 
ATOM   1038 C CE  . MET   A 1 125 ? -7.291  -17.125 -10.755 1.000 31.414 ? 198 MET   AaA CE  1 ? 
ATOM   1039 N N   . MET   A 1 126 ? -3.187  -20.604 -11.775 1.000 21.992 ? 199 MET   AaA N   1 ? 
ATOM   1040 C CA  . MET   A 1 126 ? -1.817  -21.104 -11.922 1.000 25.707 ? 199 MET   AaA CA  1 ? 
ATOM   1041 C C   . MET   A 1 126 ? -1.070  -20.252 -12.923 1.000 24.764 ? 199 MET   AaA C   1 ? 
ATOM   1042 O O   . MET   A 1 126 ? -1.686  -19.640 -13.856 1.000 24.715 ? 199 MET   AaA O   1 ? 
ATOM   1043 C CB  . MET   A 1 126 ? -1.857  -22.562 -12.348 1.000 31.121 ? 199 MET   AaA CB  1 ? 
ATOM   1044 C CG  . MET   A 1 126 ? -2.443  -22.802 -13.702 1.000 31.291 ? 199 MET   AaA CG  1 ? 
ATOM   1045 S SD  . MET   A 1 126 ? -1.854  -24.430 -14.232 1.000 37.683 ? 199 MET   AaA SD  1 ? 
ATOM   1046 C CE  . MET   A 1 126 ? -2.390  -25.368 -12.808 1.000 32.785 ? 199 MET   AaA CE  1 ? 
ATOM   1047 N N   . ASN   A 1 127 ? 0.237   -20.267 -12.741 1.000 22.397 ? 200 ASN   AaA N   1 ? 
ATOM   1048 C CA  . ASN   A 1 127 ? 1.113   -19.581 -13.710 1.000 20.759 ? 200 ASN   AaA CA  1 ? 
ATOM   1049 C C   . ASN   A 1 127 ? 1.032   -20.352 -15.022 1.000 19.812 ? 200 ASN   AaA C   1 ? 
ATOM   1050 O O   . ASN   A 1 127 ? 1.194   -21.577 -15.007 1.000 21.306 ? 200 ASN   AaA O   1 ? 
ATOM   1051 C CB  . ASN   A 1 127 ? 2.516   -19.490 -13.162 1.000 20.137 ? 200 ASN   AaA CB  1 ? 
ATOM   1052 C CG  . ASN   A 1 127 ? 3.407   -18.800 -14.165 1.000 18.401 ? 200 ASN   AaA CG  1 ? 
ATOM   1053 O OD1 . ASN   A 1 127 ? 3.822   -19.427 -15.132 1.000 19.287 ? 200 ASN   AaA OD1 1 ? 
ATOM   1054 N ND2 . ASN   A 1 127 ? 3.639   -17.520 -13.976 1.000 18.456 ? 200 ASN   AaA ND2 1 ? 
ATOM   1055 N N   . GLN   A 1 128 ? 0.744   -19.653 -16.120 1.000 20.306 ? 201 GLN   AaA N   1 ? 
ATOM   1056 C CA  . GLN   A 1 128 ? 0.457   -20.289 -17.432 1.000 22.527 ? 201 GLN   AaA CA  1 ? 
ATOM   1057 C C   . GLN   A 1 128 ? 1.733   -20.939 -17.965 1.000 21.950 ? 201 GLN   AaA C   1 ? 
ATOM   1058 O O   . GLN   A 1 128 ? 1.641   -21.866 -18.753 1.000 24.653 ? 201 GLN   AaA O   1 ? 
ATOM   1059 C CB  . GLN   A 1 128 ? -0.108  -19.296 -18.449 1.000 24.836 ? 201 GLN   AaA CB  1 ? 
ATOM   1060 C CG  . GLN   A 1 128 ? 0.834   -18.153 -18.777 1.000 24.775 ? 201 GLN   AaA CG  1 ? 
ATOM   1061 C CD  . GLN   A 1 128 ? 0.179   -16.921 -19.356 1.000 29.044 ? 201 GLN   AaA CD  1 ? 
ATOM   1062 O OE1 . GLN   A 1 128 ? -0.910  -16.519 -18.957 1.000 33.601 ? 201 GLN   AaA OE1 1 ? 
ATOM   1063 N NE2 . GLN   A 1 128 ? 0.894   -16.261 -20.255 1.000 34.881 ? 201 GLN   AaA NE2 1 ? 
ATOM   1064 N N   . ASP   A 1 129 ? 2.892   -20.464 -17.525 1.000 19.019 ? 202 ASP   AaA N   1 ? 
ATOM   1065 C CA  . ASP   A 1 129 ? 4.198   -20.938 -18.059 1.000 21.286 ? 202 ASP   AaA CA  1 ? 
ATOM   1066 C C   . ASP   A 1 129 ? 4.724   -22.127 -17.259 1.000 21.215 ? 202 ASP   AaA C   1 ? 
ATOM   1067 O O   . ASP   A 1 129 ? 5.169   -23.109 -17.876 1.000 24.961 ? 202 ASP   AaA O   1 ? 
ATOM   1068 C CB  . ASP   A 1 129 ? 5.176   -19.761 -18.115 1.000 21.216 ? 202 ASP   AaA CB  1 ? 
ATOM   1069 C CG  . ASP   A 1 129 ? 4.705   -18.604 -18.975 1.000 22.099 ? 202 ASP   AaA CG  1 ? 
ATOM   1070 O OD1 . ASP   A 1 129 ? 4.508   -18.838 -20.196 1.000 26.945 ? 202 ASP   AaA OD1 1 ? 
ATOM   1071 O OD2 . ASP   A 1 129 ? 4.458   -17.500 -18.448 1.000 24.425 ? 202 ASP   AaA OD2 1 ? 
ATOM   1072 N N   . THR   A 1 130 ? 4.726   -22.072 -15.934 1.000 20.572 ? 203 THR   AaA N   1 ? 
ATOM   1073 C CA  . THR   A 1 130 ? 5.258   -23.165 -15.085 1.000 20.588 ? 203 THR   AaA CA  1 ? 
ATOM   1074 C C   . THR   A 1 130 ? 4.179   -24.170 -14.669 1.000 21.542 ? 203 THR   AaA C   1 ? 
ATOM   1075 O O   . THR   A 1 130 ? 4.552   -25.270 -14.208 1.000 23.258 ? 203 THR   AaA O   1 ? 
ATOM   1076 C CB  . THR   A 1 130 ? 5.864   -22.635 -13.792 1.000 21.424 ? 203 THR   AaA CB  1 ? 
ATOM   1077 O OG1 . THR   A 1 130 ? 4.783   -22.068 -13.049 1.000 19.009 ? 203 THR   AaA OG1 1 ? 
ATOM   1078 C CG2 . THR   A 1 130 ? 6.957   -21.627 -14.060 1.000 22.409 ? 203 THR   AaA CG2 1 ? 
ATOM   1079 N N   . ARG   A 1 131 ? 2.903   -23.799 -14.769 1.000 22.545 ? 204 ARG   AaA N   1 ? 
ATOM   1080 C CA  . ARG   A 1 131 ? 1.759   -24.635 -14.317 1.000 23.423 ? 204 ARG   AaA CA  1 ? 
ATOM   1081 C C   . ARG   A 1 131 ? 1.798   -24.834 -12.814 1.000 22.907 ? 204 ARG   AaA C   1 ? 
ATOM   1082 O O   . ARG   A 1 131 ? 1.126   -25.755 -12.292 1.000 27.834 ? 204 ARG   AaA O   1 ? 
ATOM   1083 C CB  . ARG   A 1 131 ? 1.709   -25.981 -15.043 1.000 27.544 ? 204 ARG   AaA CB  1 ? 
ATOM   1084 C CG  . ARG   A 1 131 ? 1.531   -25.849 -16.546 1.000 27.848 ? 204 ARG   AaA CG  1 ? 
ATOM   1085 C CD  . ARG   A 1 131 ? 0.194   -25.243 -16.987 1.000 28.812 ? 204 ARG   AaA CD  1 ? 
ATOM   1086 N NE  . ARG   A 1 131 ? -1.020  -26.022 -16.708 1.000 28.252 ? 204 ARG   AaA NE  1 ? 
ATOM   1087 C CZ  . ARG   A 1 131 ? -2.237  -25.764 -17.205 1.000 28.553 ? 204 ARG   AaA CZ  1 ? 
ATOM   1088 N NH1 . ARG   A 1 131 ? -2.430  -24.750 -18.033 1.000 29.778 ? 204 ARG   AaA NH1 1 ? 
ATOM   1089 N NH2 . ARG   A 1 131 ? -3.271  -26.530 -16.878 1.000 30.603 ? 204 ARG   AaA NH2 1 ? 
ATOM   1090 N N   . ARG   A 1 132 ? 2.477   -23.956 -12.099 1.000 21.030 ? 205 ARG   AaA N   1 ? 
ATOM   1091 C CA  . ARG   A 1 132 ? 2.473   -24.020 -10.624 1.000 20.866 ? 205 ARG   AaA CA  1 ? 
ATOM   1092 C C   . ARG   A 1 132 ? 1.290   -23.238 -10.072 1.000 22.807 ? 205 ARG   AaA C   1 ? 
ATOM   1093 O O   . ARG   A 1 132 ? 1.035   -22.106 -10.522 1.000 23.515 ? 205 ARG   AaA O   1 ? 
ATOM   1094 C CB  . ARG   A 1 132 ? 3.771   -23.489 -10.033 1.000 20.354 ? 205 ARG   AaA CB  1 ? 
ATOM   1095 C CG  . ARG   A 1 132 ? 4.958   -24.369 -10.375 1.000 20.475 ? 205 ARG   AaA CG  1 ? 
ATOM   1096 C CD  . ARG   A 1 132 ? 6.202   -23.835 -9.700  1.000 21.018 ? 205 ARG   AaA CD  1 ? 
ATOM   1097 N NE  . ARG   A 1 132 ? 6.117   -23.853 -8.244  1.000 20.183 ? 205 ARG   AaA NE  1 ? 
ATOM   1098 C CZ  . ARG   A 1 132 ? 6.282   -24.939 -7.492  1.000 21.546 ? 205 ARG   AaA CZ  1 ? 
ATOM   1099 N NH1 . ARG   A 1 132 ? 6.541   -26.121 -8.037  1.000 21.492 ? 205 ARG   AaA NH1 1 ? 
ATOM   1100 N NH2 . ARG   A 1 132 ? 6.197   -24.842 -6.169  1.000 23.889 ? 205 ARG   AaA NH2 1 ? 
ATOM   1101 N N   . LEU   A 1 133 ? 0.600   -23.849 -9.111  1.000 24.821 ? 206 LEU   AaA N   1 ? 
ATOM   1102 C CA  . LEU   A 1 133 ? -0.593  -23.243 -8.487  1.000 26.390 ? 206 LEU   AaA CA  1 ? 
ATOM   1103 C C   . LEU   A 1 133 ? -0.184  -22.036 -7.672  1.000 28.136 ? 206 LEU   AaA C   1 ? 
ATOM   1104 O O   . LEU   A 1 133 ? 0.930   -21.987 -7.113  1.000 26.999 ? 206 LEU   AaA O   1 ? 
ATOM   1105 C CB  . LEU   A 1 133 ? -1.339  -24.259 -7.623  1.000 31.050 ? 206 LEU   AaA CB  1 ? 
ATOM   1106 C CG  . LEU   A 1 133 ? -2.415  -24.994 -8.413  1.000 36.316 ? 206 LEU   AaA CG  1 ? 
ATOM   1107 C CD1 . LEU   A 1 133 ? -1.781  -25.874 -9.476  1.000 36.926 ? 206 LEU   AaA CD1 1 ? 
ATOM   1108 C CD2 . LEU   A 1 133 ? -3.333  -25.794 -7.502  1.000 38.132 ? 206 LEU   AaA CD2 1 ? 
ATOM   1109 N N   . GLN   A 1 134 ? -1.111  -21.102 -7.588  1.000 25.698 ? 207 GLN   AaA N   1 ? 
ATOM   1110 C CA  . GLN   A 1 134 ? -0.961  -19.878 -6.808  1.000 29.499 ? 207 GLN   AaA CA  1 ? 
ATOM   1111 C C   . GLN   A 1 134 ? -2.269  -19.725 -6.048  1.000 29.803 ? 207 GLN   AaA C   1 ? 
ATOM   1112 O O   . GLN   A 1 134 ? -3.318  -20.178 -6.555  1.000 34.221 ? 207 GLN   AaA O   1 ? 
ATOM   1113 C CB  . GLN   A 1 134 ? -0.646  -18.686 -7.704  1.000 32.025 ? 207 GLN   AaA CB  1 ? 
ATOM   1114 C CG  . GLN   A 1 134 ? 0.749   -18.782 -8.305  1.000 34.381 ? 207 GLN   AaA CG  1 ? 
ATOM   1115 C CD  . GLN   A 1 134 ? 1.341   -17.461 -8.723  1.000 35.269 ? 207 GLN   AaA CD  1 ? 
ATOM   1116 O OE1 . GLN   A 1 134 ? 2.293   -17.414 -9.502  1.000 31.911 ? 207 GLN   AaA OE1 1 ? 
ATOM   1117 N NE2 . GLN   A 1 134 ? 0.785   -16.371 -8.219  1.000 34.264 ? 207 GLN   AaA NE2 1 ? 
ATOM   1118 N N   . LYS   A 1 135 ? -2.171  -19.181 -4.861  1.000 26.961 ? 208 LYS   AaA N   1 ? 
ATOM   1119 C CA  . LYS   A 1 135 ? -3.368  -18.739 -4.116  1.000 27.941 ? 208 LYS   AaA CA  1 ? 
ATOM   1120 C C   . LYS   A 1 135 ? -3.885  -17.453 -4.752  1.000 27.191 ? 208 LYS   AaA C   1 ? 
ATOM   1121 O O   . LYS   A 1 135 ? -3.106  -16.698 -5.362  1.000 29.751 ? 208 LYS   AaA O   1 ? 
ATOM   1122 C CB  . LYS   A 1 135 ? -3.011  -18.585 -2.642  1.000 31.746 ? 208 LYS   AaA CB  1 ? 
ATOM   1123 C CG  . LYS   A 1 135 ? -2.586  -19.890 -1.981  1.000 36.673 ? 208 LYS   AaA CG  1 ? 
ATOM   1124 C CD  . LYS   A 1 135 ? -3.681  -20.944 -1.974  1.000 42.820 ? 208 LYS   AaA CD  1 ? 
ATOM   1125 C CE  . LYS   A 1 135 ? -3.276  -22.214 -1.258  1.000 47.493 ? 208 LYS   AaA CE  1 ? 
ATOM   1126 N NZ  . LYS   A 1 135 ? -2.436  -23.078 -2.120  1.000 50.254 ? 208 LYS   AaA NZ  1 ? 
ATOM   1127 N N   . VAL   A 1 136 ? -5.184  -17.225 -4.633  1.000 21.485 ? 209 VAL   AaA N   1 ? 
ATOM   1128 C CA  . VAL   A 1 136 ? -5.810  -15.988 -5.149  1.000 21.477 ? 209 VAL   AaA CA  1 ? 
ATOM   1129 C C   . VAL   A 1 136 ? -5.429  -14.822 -4.243  1.000 22.065 ? 209 VAL   AaA C   1 ? 
ATOM   1130 O O   . VAL   A 1 136 ? -5.850  -14.802 -3.072  1.000 21.966 ? 209 VAL   AaA O   1 ? 
ATOM   1131 C CB  . VAL   A 1 136 ? -7.334  -16.137 -5.261  1.000 20.688 ? 209 VAL   AaA CB  1 ? 
ATOM   1132 C CG1 . VAL   A 1 136 ? -7.911  -14.896 -5.887  1.000 20.136 ? 209 VAL   AaA CG1 1 ? 
ATOM   1133 C CG2 . VAL   A 1 136 ? -7.749  -17.363 -6.038  1.000 21.240 ? 209 VAL   AaA CG2 1 ? 
ATOM   1134 N N   . SER   A 1 137 ? -4.714  -13.845 -4.782  1.000 21.259 ? 210 SER   AaA N   1 ? 
ATOM   1135 C CA  . SER   A 1 137 ? -4.329  -12.613 -4.061  1.000 22.663 ? 210 SER   AaA CA  1 ? 
ATOM   1136 C C   . SER   A 1 137 ? -5.547  -11.716 -3.857  1.000 21.968 ? 210 SER   AaA C   1 ? 
ATOM   1137 O O   . SER   A 1 137 ? -6.541  -11.851 -4.604  1.000 22.338 ? 210 SER   AaA O   1 ? 
ATOM   1138 C CB  . SER   A 1 137 ? -3.268  -11.849 -4.790  1.000 24.585 ? 210 SER   AaA CB  1 ? 
ATOM   1139 O OG  . SER   A 1 137 ? -3.786  -11.352 -6.021  1.000 26.485 ? 210 SER   AaA OG  1 ? 
ATOM   1140 N N   . ASP   A 1 138 ? -5.455  -10.779 -2.916  1.000 21.859 ? 211 ASP   AaA N   1 ? 
ATOM   1141 C CA  . ASP   A 1 138 ? -6.509  -9.762  -2.686  1.000 23.665 ? 211 ASP   AaA CA  1 ? 
ATOM   1142 C C   . ASP   A 1 138 ? -6.735  -8.972  -3.971  1.000 23.858 ? 211 ASP   AaA C   1 ? 
ATOM   1143 O O   . ASP   A 1 138 ? -7.892  -8.650  -4.251  1.000 22.814 ? 211 ASP   AaA O   1 ? 
ATOM   1144 C CB  . ASP   A 1 138 ? -6.156  -8.794  -1.554  1.000 24.344 ? 211 ASP   AaA CB  1 ? 
ATOM   1145 C CG  . ASP   A 1 138 ? -6.223  -9.412  -0.167  1.000 26.714 ? 211 ASP   AaA CG  1 ? 
ATOM   1146 O OD1 . ASP   A 1 138 ? -6.381  -10.642 -0.078  1.000 28.918 ? 211 ASP   AaA OD1 1 ? 
ATOM   1147 O OD2 . ASP   A 1 138 ? -6.135  -8.637  0.807   1.000 30.147 ? 211 ASP   AaA OD2 1 ? 
ATOM   1148 N N   . ASP   A 1 139 ? -5.676  -8.608  -4.697  1.000 23.711 ? 212 ASP   AaA N   1 ? 
ATOM   1149 C CA  . ASP   A 1 139 ? -5.878  -7.772  -5.905  1.000 24.373 ? 212 ASP   AaA CA  1 ? 
ATOM   1150 C C   . ASP   A 1 139 ? -6.751  -8.538  -6.904  1.000 22.428 ? 212 ASP   AaA C   1 ? 
ATOM   1151 O O   . ASP   A 1 139 ? -7.684  -7.944  -7.479  1.000 23.355 ? 212 ASP   AaA O   1 ? 
ATOM   1152 C CB  . ASP   A 1 139 ? -4.547  -7.337  -6.517  1.000 27.915 ? 212 ASP   AaA CB  1 ? 
ATOM   1153 C CG  . ASP   A 1 139 ? -3.805  -6.282  -5.715  1.000 33.693 ? 212 ASP   AaA CG  1 ? 
ATOM   1154 O OD1 . ASP   A 1 139 ? -4.445  -5.602  -4.878  1.000 36.733 ? 212 ASP   AaA OD1 1 ? 
ATOM   1155 O OD2 . ASP   A 1 139 ? -2.587  -6.160  -5.941  1.000 37.666 ? 212 ASP   AaA OD2 1 ? 
ATOM   1156 N N   . VAL   A 1 140 ? -6.464  -9.814  -7.121  1.000 21.221 ? 213 VAL   AaA N   1 ? 
ATOM   1157 C CA  . VAL   A 1 140 ? -7.241  -10.609 -8.120  1.000 19.978 ? 213 VAL   AaA CA  1 ? 
ATOM   1158 C C   . VAL   A 1 140 ? -8.668  -10.834 -7.623  1.000 19.525 ? 213 VAL   AaA C   1 ? 
ATOM   1159 O O   . VAL   A 1 140 ? -9.612  -10.559 -8.349  1.000 19.171 ? 213 VAL   AaA O   1 ? 
ATOM   1160 C CB  . VAL   A 1 140 ? -6.536  -11.925 -8.452  1.000 20.532 ? 213 VAL   AaA CB  1 ? 
ATOM   1161 C CG1 . VAL   A 1 140 ? -7.420  -12.840 -9.281  1.000 20.443 ? 213 VAL   AaA CG1 1 ? 
ATOM   1162 C CG2 . VAL   A 1 140 ? -5.218  -11.647 -9.169  1.000 22.597 ? 213 VAL   AaA CG2 1 ? 
ATOM   1163 N N   . ARG   A 1 141 ? -8.836  -11.232 -6.365  1.000 18.293 ? 214 ARG   AaA N   1 ? 
ATOM   1164 C CA  . ARG   A 1 141 ? -10.182 -11.435 -5.787  1.000 18.727 ? 214 ARG   AaA CA  1 ? 
ATOM   1165 C C   . ARG   A 1 141 ? -10.977 -10.136 -5.907  1.000 18.796 ? 214 ARG   AaA C   1 ? 
ATOM   1166 O O   . ARG   A 1 141 ? -12.155 -10.171 -6.293  1.000 19.371 ? 214 ARG   AaA O   1 ? 
ATOM   1167 C CB  . ARG   A 1 141 ? -10.012 -11.880 -4.333  1.000 19.728 ? 214 ARG   AaA CB  1 ? 
ATOM   1168 C CG  . ARG   A 1 141 ? -11.309 -12.042 -3.565  1.000 21.763 ? 214 ARG   AaA CG  1 ? 
ATOM   1169 C CD  . ARG   A 1 141 ? -11.459 -10.886 -2.622  1.000 24.553 ? 214 ARG   AaA CD  1 ? 
ATOM   1170 N NE  . ARG   A 1 141 ? -12.476 -11.098 -1.608  1.000 21.791 ? 214 ARG   AaA NE  1 ? 
ATOM   1171 C CZ  . ARG   A 1 141 ? -12.783 -10.178 -0.718  1.000 22.841 ? 214 ARG   AaA CZ  1 ? 
ATOM   1172 N NH1 . ARG   A 1 141 ? -12.147 -9.023  -0.729  1.000 24.656 ? 214 ARG   AaA NH1 1 ? 
ATOM   1173 N NH2 . ARG   A 1 141 ? -13.728 -10.409 0.168   1.000 22.006 ? 214 ARG   AaA NH2 1 ? 
ATOM   1174 N N   . ASP   A 1 142 ? -10.363 -9.002  -5.596  1.000 19.045 ? 215 ASP   AaA N   1 ? 
ATOM   1175 C CA  . ASP   A 1 142 ? -11.118 -7.730  -5.597  1.000 20.364 ? 215 ASP   AaA CA  1 ? 
ATOM   1176 C C   . ASP   A 1 142 ? -11.566 -7.385  -7.016  1.000 19.596 ? 215 ASP   AaA C   1 ? 
ATOM   1177 O O   . ASP   A 1 142 ? -12.605 -6.752  -7.176  1.000 21.241 ? 215 ASP   AaA O   1 ? 
ATOM   1178 C CB  . ASP   A 1 142 ? -10.270 -6.608  -5.015  1.000 22.298 ? 215 ASP   AaA CB  1 ? 
ATOM   1179 C CG  . ASP   A 1 142 ? -10.000 -6.741  -3.521  1.000 24.242 ? 215 ASP   AaA CG  1 ? 
ATOM   1180 O OD1 . ASP   A 1 142 ? -10.585 -7.639  -2.864  1.000 26.441 ? 215 ASP   AaA OD1 1 ? 
ATOM   1181 O OD2 . ASP   A 1 142 ? -9.189  -5.946  -3.029  1.000 29.368 ? 215 ASP   AaA OD2 1 ? 
ATOM   1182 N N   . GLU   A 1 143 ? -10.789 -7.801  -8.014  1.000 18.141 ? 216 GLU   AaA N   1 ? 
ATOM   1183 C CA  . GLU   A 1 143 ? -11.124 -7.518  -9.438  1.000 18.991 ? 216 GLU   AaA CA  1 ? 
ATOM   1184 C C   . GLU   A 1 143 ? -12.368 -8.305  -9.836  1.000 18.517 ? 216 GLU   AaA C   1 ? 
ATOM   1185 O O   . GLU   A 1 143 ? -13.171 -7.787  -10.613 1.000 21.518 ? 216 GLU   AaA O   1 ? 
ATOM   1186 C CB  . GLU   A 1 143 ? -9.913  -7.792  -10.332 1.000 19.864 ? 216 GLU   AaA CB  1 ? 
ATOM   1187 C CG  . GLU   A 1 143 ? -8.875  -6.698  -10.155 1.000 21.179 ? 216 GLU   AaA CG  1 ? 
ATOM   1188 C CD  . GLU   A 1 143 ? -7.456  -7.000  -10.593 1.000 26.622 ? 216 GLU   AaA CD  1 ? 
ATOM   1189 O OE1 . GLU   A 1 143 ? -7.209  -8.094  -11.124 1.000 23.373 ? 216 GLU   AaA OE1 1 ? 
ATOM   1190 O OE2 . GLU   A 1 143 ? -6.582  -6.143  -10.332 1.000 29.660 ? 216 GLU   AaA OE2 1 ? 
ATOM   1191 N N   . TYR   A 1 144 ? -12.544 -9.527  -9.367  1.000 17.163 ? 217 TYR   AaA N   1 ? 
ATOM   1192 C CA  . TYR   A 1 144 ? -13.679 -10.335 -9.862  1.000 16.641 ? 217 TYR   AaA CA  1 ? 
ATOM   1193 C C   . TYR   A 1 144 ? -14.836 -10.435 -8.869  1.000 15.569 ? 217 TYR   AaA C   1 ? 
ATOM   1194 O O   . TYR   A 1 144 ? -15.919 -10.843 -9.279  1.000 15.792 ? 217 TYR   AaA O   1 ? 
ATOM   1195 C CB  . TYR   A 1 144 ? -13.201 -11.709 -10.320 1.000 16.965 ? 217 TYR   AaA CB  1 ? 
ATOM   1196 C CG  . TYR   A 1 144 ? -12.977 -12.763 -9.274  1.000 16.288 ? 217 TYR   AaA CG  1 ? 
ATOM   1197 C CD1 . TYR   A 1 144 ? -14.031 -13.466 -8.733  1.000 17.407 ? 217 TYR   AaA CD1 1 ? 
ATOM   1198 C CD2 . TYR   A 1 144 ? -11.692 -13.146 -8.918  1.000 17.047 ? 217 TYR   AaA CD2 1 ? 
ATOM   1199 C CE1 . TYR   A 1 144 ? -13.823 -14.477 -7.812  1.000 18.043 ? 217 TYR   AaA CE1 1 ? 
ATOM   1200 C CE2 . TYR   A 1 144 ? -11.466 -14.162 -7.999  1.000 17.182 ? 217 TYR   AaA CE2 1 ? 
ATOM   1201 C CZ  . TYR   A 1 144 ? -12.541 -14.835 -7.451  1.000 17.203 ? 217 TYR   AaA CZ  1 ? 
ATOM   1202 O OH  . TYR   A 1 144 ? -12.393 -15.897 -6.606  1.000 18.009 ? 217 TYR   AaA OH  1 ? 
ATOM   1203 N N   . LEU   A 1 145 ? -14.634 -10.066 -7.594  1.000 16.154 ? 218 LEU   AaA N   1 ? 
ATOM   1204 C CA  . LEU   A 1 145 ? -15.692 -10.283 -6.572  1.000 16.111 ? 218 LEU   AaA CA  1 ? 
ATOM   1205 C C   . LEU   A 1 145 ? -16.968 -9.533  -6.936  1.000 15.973 ? 218 LEU   AaA C   1 ? 
ATOM   1206 O O   . LEU   A 1 145 ? -18.083 -10.016 -6.654  1.000 16.481 ? 218 LEU   AaA O   1 ? 
ATOM   1207 C CB  . LEU   A 1 145 ? -15.160 -9.783  -5.227  1.000 18.353 ? 218 LEU   AaA CB  1 ? 
ATOM   1208 C CG  . LEU   A 1 145 ? -16.062 -10.134 -4.049  1.000 20.801 ? 218 LEU   AaA CG  1 ? 
ATOM   1209 C CD1 . LEU   A 1 145 ? -16.009 -11.624 -3.766  1.000 23.858 ? 218 LEU   AaA CD1 1 ? 
ATOM   1210 C CD2 . LEU   A 1 145 ? -15.623 -9.354  -2.817  1.000 23.183 ? 218 LEU   AaA CD2 1 ? 
ATOM   1211 N N   . VAL   A 1 146 ? -16.810 -8.394  -7.591  1.000 16.282 ? 219 VAL   AaA N   1 ? 
ATOM   1212 C CA  . VAL   A 1 146 ? -17.944 -7.501  -7.934  1.000 17.172 ? 219 VAL   AaA CA  1 ? 
ATOM   1213 C C   . VAL   A 1 146 ? -18.850 -8.149  -8.988  1.000 17.456 ? 219 VAL   AaA C   1 ? 
ATOM   1214 O O   . VAL   A 1 146 ? -19.926 -7.603  -9.251  1.000 19.187 ? 219 VAL   AaA O   1 ? 
ATOM   1215 C CB  . VAL   A 1 146 ? -17.430 -6.150  -8.448  1.000 18.468 ? 219 VAL   AaA CB  1 ? 
ATOM   1216 C CG1 . VAL   A 1 146 ? -16.592 -5.427  -7.396  1.000 20.280 ? 219 VAL   AaA CG1 1 ? 
ATOM   1217 C CG2 . VAL   A 1 146 ? -16.645 -6.303  -9.735  1.000 21.294 ? 219 VAL   AaA CG2 1 ? 
ATOM   1218 N N   . PHE   A 1 147 ? -18.459 -9.283  -9.556  1.000 16.116 ? 220 PHE   AaA N   1 ? 
ATOM   1219 C CA  . PHE   A 1 147 ? -19.285 -10.000 -10.543 1.000 15.933 ? 220 PHE   AaA CA  1 ? 
ATOM   1220 C C   . PHE   A 1 147 ? -19.959 -11.227 -9.952  1.000 16.044 ? 220 PHE   AaA C   1 ? 
ATOM   1221 O O   . PHE   A 1 147 ? -20.604 -11.973 -10.696 1.000 16.726 ? 220 PHE   AaA O   1 ? 
ATOM   1222 C CB  . PHE   A 1 147 ? -18.435 -10.397 -11.745 1.000 16.637 ? 220 PHE   AaA CB  1 ? 
ATOM   1223 C CG  . PHE   A 1 147 ? -17.695 -9.237  -12.352 1.000 16.519 ? 220 PHE   AaA CG  1 ? 
ATOM   1224 C CD1 . PHE   A 1 147 ? -18.358 -8.099  -12.767 1.000 18.269 ? 220 PHE   AaA CD1 1 ? 
ATOM   1225 C CD2 . PHE   A 1 147 ? -16.320 -9.274  -12.469 1.000 18.927 ? 220 PHE   AaA CD2 1 ? 
ATOM   1226 C CE1 . PHE   A 1 147 ? -17.649 -7.027  -13.281 1.000 19.356 ? 220 PHE   AaA CE1 1 ? 
ATOM   1227 C CE2 . PHE   A 1 147 ? -15.616 -8.208  -13.009 1.000 20.254 ? 220 PHE   AaA CE2 1 ? 
ATOM   1228 C CZ  . PHE   A 1 147 ? -16.289 -7.075  -13.392 1.000 18.928 ? 220 PHE   AaA CZ  1 ? 
ATOM   1229 N N   . CYS   A 1 148 ? -19.809 -11.442 -8.649  1.000 15.338 ? 221 CYS   AaA N   1 ? 
ATOM   1230 C CA  . CYS   A 1 148 ? -20.276 -12.658 -7.964  1.000 16.433 ? 221 CYS   AaA CA  1 ? 
ATOM   1231 C C   . CYS   A 1 148 ? -21.314 -12.314 -6.909  1.000 15.612 ? 221 CYS   AaA C   1 ? 
ATOM   1232 O O   . CYS   A 1 148 ? -21.158 -11.327 -6.162  1.000 17.180 ? 221 CYS   AaA O   1 ? 
ATOM   1233 C CB  . CYS   A 1 148 ? -19.142 -13.345 -7.236  1.000 15.344 ? 221 CYS   AaA CB  1 ? 
ATOM   1234 S SG  . CYS   A 1 148 ? -17.782 -13.843 -8.313  1.000 17.316 ? 221 CYS   AaA SG  1 ? 
ATOM   1235 N N   . PRO   A 1 149 ? -22.308 -13.187 -6.711  1.000 15.618 ? 222 PRO   AaA N   1 ? 
ATOM   1236 C CA  . PRO   A 1 149 ? -23.084 -13.136 -5.483  1.000 16.653 ? 222 PRO   AaA CA  1 ? 
ATOM   1237 C C   . PRO   A 1 149 ? -22.113 -13.384 -4.334  1.000 16.797 ? 222 PRO   AaA C   1 ? 
ATOM   1238 O O   . PRO   A 1 149 ? -21.168 -14.170 -4.438  1.000 17.244 ? 222 PRO   AaA O   1 ? 
ATOM   1239 C CB  . PRO   A 1 149 ? -24.120 -14.245 -5.623  1.000 17.585 ? 222 PRO   AaA CB  1 ? 
ATOM   1240 C CG  . PRO   A 1 149 ? -23.490 -15.211 -6.623  1.000 18.117 ? 222 PRO   AaA CG  1 ? 
ATOM   1241 C CD  . PRO   A 1 149 ? -22.662 -14.351 -7.540  1.000 17.208 ? 222 PRO   AaA CD  1 ? 
ATOM   1242 N N   . GLN   A 1 150 ? -22.339 -12.678 -3.228  1.000 18.752 ? 223 GLN   AaA N   1 ? 
ATOM   1243 C CA  . GLN   A 1 150 ? -21.409 -12.775 -2.071  1.000 19.626 ? 223 GLN   AaA CA  1 ? 
ATOM   1244 C C   . GLN   A 1 150 ? -22.001 -13.604 -0.942  1.000 19.778 ? 223 GLN   AaA C   1 ? 
ATOM   1245 O O   . GLN   A 1 150 ? -21.189 -14.170 -0.174  1.000 23.667 ? 223 GLN   AaA O   1 ? 
ATOM   1246 C CB  . GLN   A 1 150 ? -20.951 -11.379 -1.678  1.000 20.076 ? 223 GLN   AaA CB  1 ? 
ATOM   1247 C CG  . GLN   A 1 150 ? -20.004 -10.862 -2.753  1.000 23.379 ? 223 GLN   AaA CG  1 ? 
ATOM   1248 C CD  . GLN   A 1 150 ? -19.549 -9.444  -2.614  1.000 24.391 ? 223 GLN   AaA CD  1 ? 
ATOM   1249 O OE1 . GLN   A 1 150 ? -19.219 -8.967  -1.537  1.000 23.779 ? 223 GLN   AaA OE1 1 ? 
ATOM   1250 N NE2 . GLN   A 1 150 ? -19.471 -8.756  -3.742  1.000 29.690 ? 223 GLN   AaA NE2 1 ? 
ATOM   1251 N N   . GLU   A 1 151 ? -23.314 -13.733 -0.873  1.000 20.199 ? 224 GLU   AaA N   1 ? 
ATOM   1252 C CA  . GLU   A 1 151 ? -23.958 -14.728 0.014   1.000 20.725 ? 224 GLU   AaA CA  1 ? 
ATOM   1253 C C   . GLU   A 1 151 ? -23.997 -16.045 -0.732  1.000 20.647 ? 224 GLU   AaA C   1 ? 
ATOM   1254 O O   . GLU   A 1 151 ? -23.963 -16.076 -1.978  1.000 19.145 ? 224 GLU   AaA O   1 ? 
ATOM   1255 C CB  . GLU   A 1 151 ? -25.343 -14.272 0.439   1.000 25.111 ? 224 GLU   AaA CB  1 ? 
ATOM   1256 C CG  . GLU   A 1 151 ? -25.317 -12.997 1.265   1.000 27.778 ? 224 GLU   AaA CG  1 ? 
ATOM   1257 C CD  . GLU   A 1 151 ? -26.626 -12.665 1.964   1.000 35.303 ? 224 GLU   AaA CD  1 ? 
ATOM   1258 O OE1 . GLU   A 1 151 ? -27.239 -13.577 2.572   1.000 42.715 ? 224 GLU   AaA OE1 1 ? 
ATOM   1259 O OE2 . GLU   A 1 151 ? -27.010 -11.484 1.925   1.000 40.687 ? 224 GLU   AaA OE2 1 ? 
ATOM   1260 N N   . PRO   A 1 152 ? -24.022 -17.177 -0.021  1.000 19.420 ? 225 PRO   AaA N   1 ? 
ATOM   1261 C CA  . PRO   A 1 152 ? -23.887 -18.464 -0.698  1.000 20.119 ? 225 PRO   AaA CA  1 ? 
ATOM   1262 C C   . PRO   A 1 152 ? -25.007 -18.704 -1.709  1.000 18.952 ? 225 PRO   AaA C   1 ? 
ATOM   1263 O O   . PRO   A 1 152 ? -26.153 -18.432 -1.435  1.000 21.188 ? 225 PRO   AaA O   1 ? 
ATOM   1264 C CB  . PRO   A 1 152 ? -23.977 -19.528 0.393   1.000 22.572 ? 225 PRO   AaA CB  1 ? 
ATOM   1265 C CG  . PRO   A 1 152 ? -23.948 -18.784 1.714   1.000 23.495 ? 225 PRO   AaA CG  1 ? 
ATOM   1266 C CD  . PRO   A 1 152 ? -24.030 -17.301 1.443   1.000 21.884 ? 225 PRO   AaA CD  1 ? 
ATOM   1267 N N   . ARG   A 1 153 ? -24.632 -19.198 -2.885  1.000 17.508 ? 226 ARG   AaA N   1 ? 
ATOM   1268 C CA  . ARG   A 1 153 ? -25.591 -19.672 -3.897  1.000 18.509 ? 226 ARG   AaA CA  1 ? 
ATOM   1269 C C   . ARG   A 1 153 ? -24.994 -20.940 -4.504  1.000 18.269 ? 226 ARG   AaA C   1 ? 
ATOM   1270 O O   . ARG   A 1 153 ? -24.014 -20.818 -5.265  1.000 20.199 ? 226 ARG   AaA O   1 ? 
ATOM   1271 C CB  . ARG   A 1 153 ? -25.849 -18.606 -4.960  1.000 19.650 ? 226 ARG   AaA CB  1 ? 
ATOM   1272 C CG  . ARG   A 1 153 ? -26.922 -19.065 -5.923  1.000 20.190 ? 226 ARG   AaA CG  1 ? 
ATOM   1273 C CD  . ARG   A 1 153 ? -27.162 -18.152 -7.093  1.000 21.725 ? 226 ARG   AaA CD  1 ? 
ATOM   1274 N NE  . ARG   A 1 153 ? -28.257 -18.753 -7.857  1.000 23.682 ? 226 ARG   AaA NE  1 ? 
ATOM   1275 C CZ  . ARG   A 1 153 ? -28.696 -18.330 -9.036  1.000 22.175 ? 226 ARG   AaA CZ  1 ? 
ATOM   1276 N NH1 . ARG   A 1 153 ? -28.140 -17.295 -9.634  1.000 22.907 ? 226 ARG   AaA NH1 1 ? 
ATOM   1277 N NH2 . ARG   A 1 153 ? -29.686 -18.991 -9.614  1.000 26.155 ? 226 ARG   AaA NH2 1 ? 
ATOM   1278 N N   . LEU   A 1 154 ? -25.516 -22.089 -4.135  1.000 18.485 ? 227 LEU   AaA N   1 ? 
ATOM   1279 C CA  . LEU   A 1 154 ? -24.898 -23.387 -4.511  1.000 18.448 ? 227 LEU   AaA CA  1 ? 
ATOM   1280 C C   . LEU   A 1 154 ? -25.827 -24.109 -5.472  1.000 19.438 ? 227 LEU   AaA C   1 ? 
ATOM   1281 O O   . LEU   A 1 154 ? -27.000 -24.303 -5.153  1.000 21.593 ? 227 LEU   AaA O   1 ? 
ATOM   1282 C CB  . LEU   A 1 154 ? -24.659 -24.260 -3.277  1.000 22.109 ? 227 LEU   AaA CB  1 ? 
ATOM   1283 C CG  . LEU   A 1 154 ? -23.320 -24.105 -2.559  1.000 27.647 ? 227 LEU   AaA CG  1 ? 
ATOM   1284 C CD1 . LEU   A 1 154 ? -23.066 -22.678 -2.109  1.000 29.098 ? 227 LEU   AaA CD1 1 ? 
ATOM   1285 C CD2 . LEU   A 1 154 ? -23.326 -25.057 -1.368  1.000 32.021 ? 227 LEU   AaA CD2 1 ? 
ATOM   1286 N N   . ALA   A 1 155 ? -25.278 -24.630 -6.566  1.000 18.611 ? 228 ALA   AaA N   1 ? 
ATOM   1287 C CA  . ALA   A 1 155 ? -26.040 -25.531 -7.455  1.000 20.867 ? 228 ALA   AaA CA  1 ? 
ATOM   1288 C C   . ALA   A 1 155 ? -26.381 -26.829 -6.742  1.000 25.518 ? 228 ALA   AaA C   1 ? 
ATOM   1289 O O   . ALA   A 1 155 ? -27.430 -27.405 -7.093  1.000 32.206 ? 228 ALA   AaA O   1 ? 
ATOM   1290 C CB  . ALA   A 1 155 ? -25.265 -25.828 -8.709  1.000 21.041 ? 228 ALA   AaA CB  1 ? 
ATOM   1291 N N   . PHE   A 1 156 ? -25.562 -27.288 -5.813  1.000 26.842 ? 229 PHE   AaA N   1 ? 
ATOM   1292 C CA  . PHE   A 1 156 ? -25.889 -28.532 -5.065  1.000 32.365 ? 229 PHE   AaA CA  1 ? 
ATOM   1293 C C   . PHE   A 1 156 ? -26.513 -28.165 -3.708  1.000 34.515 ? 229 PHE   AaA C   1 ? 
ATOM   1294 O O   . PHE   A 1 156 ? -25.782 -27.699 -2.837  1.000 31.651 ? 229 PHE   AaA O   1 ? 
ATOM   1295 C CB  . PHE   A 1 156 ? -24.673 -29.457 -5.131  1.000 32.355 ? 229 PHE   AaA CB  1 ? 
ATOM   1296 C CG  . PHE   A 1 156 ? -24.513 -30.043 -6.523  1.000 28.667 ? 229 PHE   AaA CG  1 ? 
ATOM   1297 C CD1 . PHE   A 1 156 ? -25.236 -31.163 -6.910  1.000 28.689 ? 229 PHE   AaA CD1 1 ? 
ATOM   1298 C CD2 . PHE   A 1 156 ? -23.724 -29.434 -7.475  1.000 24.729 ? 229 PHE   AaA CD2 1 ? 
ATOM   1299 C CE1 . PHE   A 1 156 ? -25.142 -31.676 -8.196  1.000 26.673 ? 229 PHE   AaA CE1 1 ? 
ATOM   1300 C CE2 . PHE   A 1 156 ? -23.628 -29.951 -8.759  1.000 25.510 ? 229 PHE   AaA CE2 1 ? 
ATOM   1301 C CZ  . PHE   A 1 156 ? -24.317 -31.075 -9.112  1.000 24.397 ? 229 PHE   AaA CZ  1 ? 
ATOM   1302 N N   . LYS   A 1 166 ? -13.190 -37.058 -1.433  1.000 44.018 ? 239 LYS   AaA N   1 ? 
ATOM   1303 C CA  . LYS   A 1 166 ? -11.867 -37.481 -1.969  1.000 43.136 ? 239 LYS   AaA CA  1 ? 
ATOM   1304 C C   . LYS   A 1 166 ? -12.066 -38.647 -2.936  1.000 37.897 ? 239 LYS   AaA C   1 ? 
ATOM   1305 O O   . LYS   A 1 166 ? -12.731 -39.624 -2.559  1.000 41.736 ? 239 LYS   AaA O   1 ? 
ATOM   1306 C CB  . LYS   A 1 166 ? -10.923 -37.923 -0.850  1.000 48.000 ? 239 LYS   AaA CB  1 ? 
ATOM   1307 C CG  . LYS   A 1 166 ? -10.638 -36.853 0.191   1.000 53.655 ? 239 LYS   AaA CG  1 ? 
ATOM   1308 C CD  . LYS   A 1 166 ? -10.280 -37.411 1.543   1.000 57.943 ? 239 LYS   AaA CD  1 ? 
ATOM   1309 C CE  . LYS   A 1 166 ? -10.235 -36.336 2.607   1.000 60.260 ? 239 LYS   AaA CE  1 ? 
ATOM   1310 N NZ  . LYS   A 1 166 ? -9.041  -36.484 3.470   1.000 60.764 ? 239 LYS   AaA NZ  1 ? 
ATOM   1311 N N   . ILE   A 1 167 ? -11.518 -38.534 -4.141  1.000 32.124 ? 240 ILE   AaA N   1 ? 
ATOM   1312 C CA  . ILE   A 1 167 ? -11.561 -39.636 -5.138  1.000 28.501 ? 240 ILE   AaA CA  1 ? 
ATOM   1313 C C   . ILE   A 1 167 ? -10.314 -40.482 -4.952  1.000 25.992 ? 240 ILE   AaA C   1 ? 
ATOM   1314 O O   . ILE   A 1 167 ? -9.216  -39.971 -5.053  1.000 25.339 ? 240 ILE   AaA O   1 ? 
ATOM   1315 C CB  . ILE   A 1 167 ? -11.675 -39.087 -6.562  1.000 26.925 ? 240 ILE   AaA CB  1 ? 
ATOM   1316 C CG1 . ILE   A 1 167 ? -12.901 -38.171 -6.668  1.000 30.104 ? 240 ILE   AaA CG1 1 ? 
ATOM   1317 C CG2 . ILE   A 1 167 ? -11.707 -40.247 -7.540  1.000 25.169 ? 240 ILE   AaA CG2 1 ? 
ATOM   1318 C CD1 . ILE   A 1 167 ? -13.230 -37.716 -8.057  1.000 31.181 ? 240 ILE   AaA CD1 1 ? 
ATOM   1319 N N   . PRO   A 1 168 ? -10.459 -41.794 -4.702  1.000 26.377 ? 241 PRO   AaA N   1 ? 
ATOM   1320 C CA  . PRO   A 1 168 ? -9.287  -42.644 -4.553  1.000 26.650 ? 241 PRO   AaA CA  1 ? 
ATOM   1321 C C   . PRO   A 1 168 ? -8.593  -42.941 -5.884  1.000 25.937 ? 241 PRO   AaA C   1 ? 
ATOM   1322 O O   . PRO   A 1 168 ? -9.153  -42.737 -6.956  1.000 23.420 ? 241 PRO   AaA O   1 ? 
ATOM   1323 C CB  . PRO   A 1 168 ? -9.840  -43.937 -3.954  1.000 27.978 ? 241 PRO   AaA CB  1 ? 
ATOM   1324 C CG  . PRO   A 1 168 ? -11.274 -43.979 -4.405  1.000 29.759 ? 241 PRO   AaA CG  1 ? 
ATOM   1325 C CD  . PRO   A 1 168 ? -11.714 -42.532 -4.494  1.000 28.834 ? 241 PRO   AaA CD  1 ? 
ATOM   1326 N N   . LYS   A 1 169 ? -7.370  -43.429 -5.776  1.000 25.012 ? 242 LYS   AaA N   1 ? 
ATOM   1327 C CA  . LYS   A 1 169 ? -6.560  -43.839 -6.942  1.000 25.988 ? 242 LYS   AaA CA  1 ? 
ATOM   1328 C C   . LYS   A 1 169 ? -6.886  -45.289 -7.294  1.000 24.493 ? 242 LYS   AaA C   1 ? 
ATOM   1329 O O   . LYS   A 1 169 ? -6.700  -46.192 -6.471  1.000 25.986 ? 242 LYS   AaA O   1 ? 
ATOM   1330 C CB  . LYS   A 1 169 ? -5.060  -43.693 -6.682  1.000 30.028 ? 242 LYS   AaA CB  1 ? 
ATOM   1331 C CG  . LYS   A 1 169 ? -4.224  -43.889 -7.936  1.000 35.150 ? 242 LYS   AaA CG  1 ? 
ATOM   1332 C CD  . LYS   A 1 169 ? -2.802  -43.381 -7.862  1.000 40.316 ? 242 LYS   AaA CD  1 ? 
ATOM   1333 C CE  . LYS   A 1 169 ? -2.246  -43.159 -9.256  1.000 45.829 ? 242 LYS   AaA CE  1 ? 
ATOM   1334 N NZ  . LYS   A 1 169 ? -0.812  -42.779 -9.257  1.000 49.739 ? 242 LYS   AaA NZ  1 ? 
ATOM   1335 N N   . LEU   A 1 170 ? -7.309  -45.507 -8.531  1.000 22.170 ? 243 LEU   AaA N   1 ? 
ATOM   1336 C CA  . LEU   A 1 170 ? -7.568  -46.845 -9.098  1.000 22.859 ? 243 LEU   AaA CA  1 ? 
ATOM   1337 C C   . LEU   A 1 170 ? -6.324  -47.711 -8.912  1.000 24.973 ? 243 LEU   AaA C   1 ? 
ATOM   1338 O O   . LEU   A 1 170 ? -5.225  -47.252 -9.242  1.000 29.117 ? 243 LEU   AaA O   1 ? 
ATOM   1339 C CB  . LEU   A 1 170 ? -7.897  -46.701 -10.583 1.000 22.255 ? 243 LEU   AaA CB  1 ? 
ATOM   1340 C CG  . LEU   A 1 170 ? -8.318  -47.973 -11.311 1.000 24.127 ? 243 LEU   AaA CG  1 ? 
ATOM   1341 C CD1 . LEU   A 1 170 ? -9.373  -47.703 -12.379 1.000 25.107 ? 243 LEU   AaA CD1 1 ? 
ATOM   1342 C CD2 . LEU   A 1 170 ? -7.109  -48.640 -11.939 1.000 26.567 ? 243 LEU   AaA CD2 1 ? 
ATOM   1343 N N   . GLU   A 1 171 ? -6.534  -48.934 -8.445  1.000 28.527 ? 244 GLU   AaA N   1 ? 
ATOM   1344 C CA  A GLU   A 1 171 ? -5.386  -49.844 -8.224  0.500 30.207 ? 244 GLU   AaA CA  1 ? 
ATOM   1345 C CA  B GLU   A 1 171 ? -5.460  -49.924 -8.160  0.500 30.780 ? 244 GLU   AaA CA  1 ? 
ATOM   1346 C C   . GLU   A 1 171 ? -5.298  -50.847 -9.370  1.000 28.706 ? 244 GLU   AaA C   1 ? 
ATOM   1347 O O   . GLU   A 1 171 ? -6.320  -51.221 -9.968  1.000 28.010 ? 244 GLU   AaA O   1 ? 
ATOM   1348 C CB  A GLU   A 1 171 ? -5.434  -50.462 -6.834  0.500 32.699 ? 244 GLU   AaA CB  1 ? 
ATOM   1349 C CB  B GLU   A 1 171 ? -5.813  -50.730 -6.908  0.500 33.816 ? 244 GLU   AaA CB  1 ? 
ATOM   1350 C CG  A GLU   A 1 171 ? -4.608  -49.656 -5.853  0.500 34.955 ? 244 GLU   AaA CG  1 ? 
ATOM   1351 C CG  B GLU   A 1 171 ? -6.271  -49.865 -5.744  0.500 36.626 ? 244 GLU   AaA CG  1 ? 
ATOM   1352 C CD  A GLU   A 1 171 ? -3.112  -49.685 -6.122  0.500 36.964 ? 244 GLU   AaA CD  1 ? 
ATOM   1353 C CD  B GLU   A 1 171 ? -5.808  -50.330 -4.374  0.500 38.775 ? 244 GLU   AaA CD  1 ? 
ATOM   1354 O OE1 A GLU   A 1 171 ? -2.410  -48.784 -5.622  0.500 38.465 ? 244 GLU   AaA OE1 1 ? 
ATOM   1355 O OE1 B GLU   A 1 171 ? -6.138  -51.468 -3.994  0.500 41.700 ? 244 GLU   AaA OE1 1 ? 
ATOM   1356 O OE2 A GLU   A 1 171 ? -2.650  -50.616 -6.826  0.500 37.679 ? 244 GLU   AaA OE2 1 ? 
ATOM   1357 O OE2 B GLU   A 1 171 ? -5.110  -49.550 -3.694  0.500 41.535 ? 244 GLU   AaA OE2 1 ? 
ATOM   1358 N N   . ASP   A 1 172 ? -4.064  -51.196 -9.695  1.000 31.674 ? 245 ASP   AaA N   1 ? 
ATOM   1359 C CA  . ASP   A 1 172 ? -3.760  -52.150 -10.778 1.000 31.104 ? 245 ASP   AaA CA  1 ? 
ATOM   1360 C C   . ASP   A 1 172 ? -4.144  -53.522 -10.240 1.000 29.499 ? 245 ASP   AaA C   1 ? 
ATOM   1361 O O   . ASP   A 1 172 ? -4.003  -53.777 -9.047  1.000 33.681 ? 245 ASP   AaA O   1 ? 
ATOM   1362 C CB  . ASP   A 1 172 ? -2.291  -52.004 -11.187 1.000 37.889 ? 245 ASP   AaA CB  1 ? 
ATOM   1363 C CG  . ASP   A 1 172 ? -1.774  -50.584 -10.985 1.000 44.495 ? 245 ASP   AaA CG  1 ? 
ATOM   1364 O OD1 . ASP   A 1 172 ? -2.465  -49.635 -11.420 1.000 48.468 ? 245 ASP   AaA OD1 1 ? 
ATOM   1365 O OD2 . ASP   A 1 172 ? -0.711  -50.430 -10.358 1.000 48.140 ? 245 ASP   AaA OD2 1 ? 
ATOM   1366 N N   . PRO   A 1 173 ? -4.687  -54.437 -11.063 1.000 25.227 ? 246 PRO   AaA N   1 ? 
ATOM   1367 C CA  . PRO   A 1 173 ? -5.040  -54.184 -12.453 1.000 24.752 ? 246 PRO   AaA CA  1 ? 
ATOM   1368 C C   . PRO   A 1 173 ? -6.409  -53.514 -12.630 1.000 24.268 ? 246 PRO   AaA C   1 ? 
ATOM   1369 O O   . PRO   A 1 173 ? -7.360  -53.817 -11.907 1.000 25.305 ? 246 PRO   AaA O   1 ? 
ATOM   1370 C CB  . PRO   A 1 173 ? -5.103  -55.580 -13.075 1.000 26.801 ? 246 PRO   AaA CB  1 ? 
ATOM   1371 C CG  . PRO   A 1 173 ? -5.535  -56.448 -11.918 1.000 27.627 ? 246 PRO   AaA CG  1 ? 
ATOM   1372 C CD  . PRO   A 1 173 ? -4.835  -55.858 -10.715 1.000 28.264 ? 246 PRO   AaA CD  1 ? 
ATOM   1373 N N   . ALA   A 1 174 ? -6.500  -52.662 -13.645 1.000 21.894 ? 247 ALA   AaA N   1 ? 
ATOM   1374 C CA  . ALA   A 1 174 ? -7.775  -52.033 -14.043 1.000 21.805 ? 247 ALA   AaA CA  1 ? 
ATOM   1375 C C   . ALA   A 1 174 ? -8.705  -53.116 -14.582 1.000 21.355 ? 247 ALA   AaA C   1 ? 
ATOM   1376 O O   . ALA   A 1 174 ? -8.212  -54.040 -15.288 1.000 23.598 ? 247 ALA   AaA O   1 ? 
ATOM   1377 C CB  . ALA   A 1 174 ? -7.506  -50.980 -15.077 1.000 22.400 ? 247 ALA   AaA CB  1 ? 
ATOM   1378 N N   . GLN   A 1 175 ? -10.001 -53.018 -14.319 1.000 20.426 ? 248 GLN   AaA N   1 ? 
ATOM   1379 C CA  . GLN   A 1 175 ? -10.982 -53.975 -14.868 1.000 21.231 ? 248 GLN   AaA CA  1 ? 
ATOM   1380 C C   . GLN   A 1 175 ? -11.082 -53.777 -16.375 1.000 22.174 ? 248 GLN   AaA C   1 ? 
ATOM   1381 O O   . GLN   A 1 175 ? -11.247 -54.759 -17.118 1.000 25.336 ? 248 GLN   AaA O   1 ? 
ATOM   1382 C CB  . GLN   A 1 175 ? -12.355 -53.795 -14.233 1.000 20.920 ? 248 GLN   AaA CB  1 ? 
ATOM   1383 C CG  . GLN   A 1 175 ? -13.385 -54.807 -14.724 1.000 22.396 ? 248 GLN   AaA CG  1 ? 
ATOM   1384 C CD  . GLN   A 1 175 ? -14.675 -54.704 -13.952 1.000 25.236 ? 248 GLN   AaA CD  1 ? 
ATOM   1385 O OE1 . GLN   A 1 175 ? -14.959 -53.687 -13.321 1.000 28.050 ? 248 GLN   AaA OE1 1 ? 
ATOM   1386 N NE2 . GLN   A 1 175 ? -15.488 -55.748 -14.015 1.000 26.964 ? 248 GLN   AaA NE2 1 ? 
ATOM   1387 N N   . TYR   A 1 176 ? -11.083 -52.518 -16.799 1.000 20.724 ? 249 TYR   AaA N   1 ? 
ATOM   1388 C CA  . TYR   A 1 176 ? -11.297 -52.118 -18.199 1.000 20.644 ? 249 TYR   AaA CA  1 ? 
ATOM   1389 C C   . TYR   A 1 176 ? -10.299 -51.039 -18.559 1.000 19.429 ? 249 TYR   AaA C   1 ? 
ATOM   1390 O O   . TYR   A 1 176 ? -9.902  -50.253 -17.718 1.000 20.141 ? 249 TYR   AaA O   1 ? 
ATOM   1391 C CB  . TYR   A 1 176 ? -12.695 -51.529 -18.378 1.000 20.738 ? 249 TYR   AaA CB  1 ? 
ATOM   1392 C CG  . TYR   A 1 176 ? -13.837 -52.424 -17.991 1.000 21.194 ? 249 TYR   AaA CG  1 ? 
ATOM   1393 C CD1 . TYR   A 1 176 ? -14.061 -53.621 -18.654 1.000 23.501 ? 249 TYR   AaA CD1 1 ? 
ATOM   1394 C CD2 . TYR   A 1 176 ? -14.695 -52.068 -16.966 1.000 23.874 ? 249 TYR   AaA CD2 1 ? 
ATOM   1395 C CE1 . TYR   A 1 176 ? -15.119 -54.439 -18.300 1.000 23.989 ? 249 TYR   AaA CE1 1 ? 
ATOM   1396 C CE2 . TYR   A 1 176 ? -15.765 -52.871 -16.612 1.000 24.499 ? 249 TYR   AaA CE2 1 ? 
ATOM   1397 C CZ  . TYR   A 1 176 ? -15.965 -54.067 -17.273 1.000 25.827 ? 249 TYR   AaA CZ  1 ? 
ATOM   1398 O OH  . TYR   A 1 176 ? -17.048 -54.834 -16.941 1.000 27.217 ? 249 TYR   AaA OH  1 ? 
ATOM   1399 N N   . SER   A 1 177 ? -9.928  -50.989 -19.829 1.000 19.344 ? 250 SER   AaA N   1 ? 
ATOM   1400 C CA  . SER   A 1 177 ? -8.974  -49.982 -20.315 1.000 20.325 ? 250 SER   AaA CA  1 ? 
ATOM   1401 C C   . SER   A 1 177 ? -9.294  -49.601 -21.752 1.000 19.941 ? 250 SER   AaA C   1 ? 
ATOM   1402 O O   . SER   A 1 177 ? -9.772  -50.440 -22.534 1.000 22.192 ? 250 SER   AaA O   1 ? 
ATOM   1403 C CB  . SER   A 1 177 ? -7.550  -50.478 -20.174 1.000 21.726 ? 250 SER   AaA CB  1 ? 
ATOM   1404 O OG  . SER   A 1 177 ? -7.336  -51.598 -21.013 1.000 24.619 ? 250 SER   AaA OG  1 ? 
ATOM   1405 N N   . MET   A 1 178 ? -8.914  -48.384 -22.070 1.000 20.156 ? 251 MET   AaA N   1 ? 
ATOM   1406 C CA  . MET   A 1 178 ? -8.753  -47.920 -23.453 1.000 19.829 ? 251 MET   AaA CA  1 ? 
ATOM   1407 C C   . MET   A 1 178 ? -7.408  -47.221 -23.517 1.000 19.971 ? 251 MET   AaA C   1 ? 
ATOM   1408 O O   . MET   A 1 178 ? -7.217  -46.203 -22.864 1.000 21.405 ? 251 MET   AaA O   1 ? 
ATOM   1409 C CB  . MET   A 1 178 ? -9.893  -46.981 -23.851 1.000 22.374 ? 251 MET   AaA CB  1 ? 
ATOM   1410 C CG  . MET   A 1 178 ? -9.731  -46.419 -25.233 1.000 24.105 ? 251 MET   AaA CG  1 ? 
ATOM   1411 S SD  . MET   A 1 178 ? -9.850  -47.643 -26.559 1.000 28.525 ? 251 MET   AaA SD  1 ? 
ATOM   1412 C CE  . MET   A 1 178 ? -11.619 -47.925 -26.555 1.000 31.830 ? 251 MET   AaA CE  1 ? 
ATOM   1413 N N   . ILE   A 1 179 ? -6.470  -47.803 -24.263 1.000 21.126 ? 252 ILE   AaA N   1 ? 
ATOM   1414 C CA  . ILE   A 1 179 ? -5.105  -47.239 -24.268 1.000 22.851 ? 252 ILE   AaA CA  1 ? 
ATOM   1415 C C   . ILE   A 1 179 ? -4.844  -46.484 -25.560 1.000 23.251 ? 252 ILE   AaA C   1 ? 
ATOM   1416 O O   . ILE   A 1 179 ? -5.573  -46.662 -26.549 1.000 25.660 ? 252 ILE   AaA O   1 ? 
ATOM   1417 C CB  . ILE   A 1 179 ? -4.057  -48.326 -24.053 1.000 24.705 ? 252 ILE   AaA CB  1 ? 
ATOM   1418 C CG1 . ILE   A 1 179 ? -4.050  -49.331 -25.202 1.000 26.904 ? 252 ILE   AaA CG1 1 ? 
ATOM   1419 C CG2 . ILE   A 1 179 ? -4.278  -48.973 -22.700 1.000 26.646 ? 252 ILE   AaA CG2 1 ? 
ATOM   1420 C CD1 . ILE   A 1 179 ? -2.835  -50.242 -25.200 1.000 30.661 ? 252 ILE   AaA CD1 1 ? 
ATOM   1421 N N   . GLY   A 1 180 ? -3.805  -45.679 -25.506 1.000 22.048 ? 253 GLY   AaA N   1 ? 
ATOM   1422 C CA  . GLY   A 1 180 ? -3.264  -45.043 -26.716 1.000 23.401 ? 253 GLY   AaA CA  1 ? 
ATOM   1423 C C   . GLY   A 1 180 ? -4.158  -43.929 -27.223 1.000 24.486 ? 253 GLY   AaA C   1 ? 
ATOM   1424 O O   . GLY   A 1 180 ? -4.090  -43.603 -28.417 1.000 27.579 ? 253 GLY   AaA O   1 ? 
ATOM   1425 N N   . LEU   A 1 181 ? -4.962  -43.344 -26.346 1.000 23.053 ? 254 LEU   AaA N   1 ? 
ATOM   1426 C CA  . LEU   A 1 181 ? -5.825  -42.196 -26.737 1.000 22.164 ? 254 LEU   AaA CA  1 ? 
ATOM   1427 C C   . LEU   A 1 181 ? -4.944  -40.994 -27.026 1.000 23.514 ? 254 LEU   AaA C   1 ? 
ATOM   1428 O O   . LEU   A 1 181 ? -4.036  -40.671 -26.256 1.000 23.745 ? 254 LEU   AaA O   1 ? 
ATOM   1429 C CB  . LEU   A 1 181 ? -6.829  -41.917 -25.625 1.000 21.029 ? 254 LEU   AaA CB  1 ? 
ATOM   1430 C CG  . LEU   A 1 181 ? -7.847  -43.027 -25.445 1.000 21.913 ? 254 LEU   AaA CG  1 ? 
ATOM   1431 C CD1 . LEU   A 1 181 ? -8.539  -42.885 -24.099 1.000 22.348 ? 254 LEU   AaA CD1 1 ? 
ATOM   1432 C CD2 . LEU   A 1 181 ? -8.857  -43.053 -26.603 1.000 24.236 ? 254 LEU   AaA CD2 1 ? 
ATOM   1433 N N   . LYS   A 1 182 ? -5.176  -40.353 -28.166 1.000 23.970 ? 255 LYS   AaA N   1 ? 
ATOM   1434 C CA  . LYS   A 1 182 ? -4.380  -39.158 -28.479 1.000 23.830 ? 255 LYS   AaA CA  1 ? 
ATOM   1435 C C   . LYS   A 1 182 ? -5.305  -38.076 -29.006 1.000 22.256 ? 255 LYS   AaA C   1 ? 
ATOM   1436 O O   . LYS   A 1 182 ? -6.267  -38.344 -29.724 1.000 23.121 ? 255 LYS   AaA O   1 ? 
ATOM   1437 C CB  . LYS   A 1 182 ? -3.226  -39.484 -29.426 1.000 26.889 ? 255 LYS   AaA CB  1 ? 
ATOM   1438 C CG  . LYS   A 1 182 ? -3.595  -40.059 -30.774 1.000 28.763 ? 255 LYS   AaA CG  1 ? 
ATOM   1439 C CD  . LYS   A 1 182 ? -2.363  -40.591 -31.478 1.000 31.025 ? 255 LYS   AaA CD  1 ? 
ATOM   1440 C CE  . LYS   A 1 182 ? -2.635  -40.947 -32.924 1.000 31.937 ? 255 LYS   AaA CE  1 ? 
ATOM   1441 N NZ  . LYS   A 1 182 ? -1.411  -41.452 -33.598 1.000 34.123 ? 255 LYS   AaA NZ  1 ? 
ATOM   1442 N N   . PRO   A 1 183 ? -5.028  -36.826 -28.638 1.000 21.855 ? 256 PRO   AaA N   1 ? 
ATOM   1443 C CA  . PRO   A 1 183 ? -5.850  -35.724 -29.115 1.000 23.114 ? 256 PRO   AaA CA  1 ? 
ATOM   1444 C C   . PRO   A 1 183 ? -5.564  -35.437 -30.594 1.000 24.620 ? 256 PRO   AaA C   1 ? 
ATOM   1445 O O   . PRO   A 1 183 ? -4.446  -35.584 -31.047 1.000 27.126 ? 256 PRO   AaA O   1 ? 
ATOM   1446 C CB  . PRO   A 1 183 ? -5.420  -34.552 -28.236 1.000 23.300 ? 256 PRO   AaA CB  1 ? 
ATOM   1447 C CG  . PRO   A 1 183 ? -3.985  -34.860 -27.902 1.000 23.907 ? 256 PRO   AaA CG  1 ? 
ATOM   1448 C CD  . PRO   A 1 183 ? -3.940  -36.364 -27.764 1.000 22.285 ? 256 PRO   AaA CD  1 ? 
ATOM   1449 N N   . ARG   A 1 184 ? -6.600  -35.048 -31.319 1.000 22.303 ? 257 ARG   AaA N   1 ? 
ATOM   1450 C CA  . ARG   A 1 184 ? -6.434  -34.502 -32.677 1.000 22.485 ? 257 ARG   AaA CA  1 ? 
ATOM   1451 C C   . ARG   A 1 184 ? -6.699  -33.001 -32.566 1.000 20.934 ? 257 ARG   AaA C   1 ? 
ATOM   1452 O O   . ARG   A 1 184 ? -7.012  -32.508 -31.467 1.000 19.546 ? 257 ARG   AaA O   1 ? 
ATOM   1453 C CB  . ARG   A 1 184 ? -7.285  -35.258 -33.700 1.000 23.293 ? 257 ARG   AaA CB  1 ? 
ATOM   1454 C CG  . ARG   A 1 184 ? -8.779  -35.276 -33.443 1.000 23.237 ? 257 ARG   AaA CG  1 ? 
ATOM   1455 C CD  . ARG   A 1 184 ? -9.441  -36.158 -34.482 1.000 24.127 ? 257 ARG   AaA CD  1 ? 
ATOM   1456 N NE  . ARG   A 1 184 ? -10.889 -36.257 -34.349 1.000 24.013 ? 257 ARG   AaA NE  1 ? 
ATOM   1457 C CZ  . ARG   A 1 184 ? -11.776 -35.429 -34.902 1.000 22.787 ? 257 ARG   AaA CZ  1 ? 
ATOM   1458 N NH1 . ARG   A 1 184 ? -11.389 -34.374 -35.610 1.000 25.078 ? 257 ARG   AaA NH1 1 ? 
ATOM   1459 N NH2 . ARG   A 1 184 ? -13.068 -35.659 -34.724 1.000 23.191 ? 257 ARG   AaA NH2 1 ? 
ATOM   1460 N N   . ARG   A 1 185 ? -6.489  -32.269 -33.644 1.000 21.355 ? 258 ARG   AaA N   1 ? 
ATOM   1461 C CA  . ARG   A 1 185 ? -6.538  -30.795 -33.545 1.000 22.316 ? 258 ARG   AaA CA  1 ? 
ATOM   1462 C C   . ARG   A 1 185 ? -7.909  -30.323 -33.058 1.000 22.236 ? 258 ARG   AaA C   1 ? 
ATOM   1463 O O   . ARG   A 1 185 ? -7.943  -29.331 -32.323 1.000 22.092 ? 258 ARG   AaA O   1 ? 
ATOM   1464 C CB  . ARG   A 1 185 ? -6.152  -30.122 -34.860 1.000 23.993 ? 258 ARG   AaA CB  1 ? 
ATOM   1465 C CG  . ARG   A 1 185 ? -4.671  -30.260 -35.170 1.000 27.411 ? 258 ARG   AaA CG  1 ? 
ATOM   1466 C CD  . ARG   A 1 185 ? -4.259  -29.322 -36.282 1.000 30.942 ? 258 ARG   AaA CD  1 ? 
ATOM   1467 N NE  . ARG   A 1 185 ? -2.933  -29.750 -36.664 1.000 32.327 ? 258 ARG   AaA NE  1 ? 
ATOM   1468 C CZ  . ARG   A 1 185 ? -2.624  -30.409 -37.777 1.000 33.771 ? 258 ARG   AaA CZ  1 ? 
ATOM   1469 N NH1 . ARG   A 1 185 ? -3.545  -30.662 -38.692 1.000 32.232 ? 258 ARG   AaA NH1 1 ? 
ATOM   1470 N NH2 . ARG   A 1 185 ? -1.372  -30.765 -37.984 1.000 33.024 ? 258 ARG   AaA NH2 1 ? 
ATOM   1471 N N   . ALA   A 1 186 ? -8.994  -31.034 -33.363 1.000 21.258 ? 259 ALA   AaA N   1 ? 
ATOM   1472 C CA  . ALA   A 1 186 ? -10.349 -30.613 -32.928 1.000 22.513 ? 259 ALA   AaA CA  1 ? 
ATOM   1473 C C   . ALA   A 1 186 ? -10.436 -30.641 -31.398 1.000 25.484 ? 259 ALA   AaA C   1 ? 
ATOM   1474 O O   . ALA   A 1 186 ? -11.299 -29.948 -30.853 1.000 25.219 ? 259 ALA   AaA O   1 ? 
ATOM   1475 C CB  . ALA   A 1 186 ? -11.413 -31.481 -33.547 1.000 24.689 ? 259 ALA   AaA CB  1 ? 
ATOM   1476 N N   . ASP   A 1 187 ? -9.580  -31.425 -30.734 1.000 22.606 ? 260 ASP   AaA N   1 ? 
ATOM   1477 C CA  . ASP   A 1 187 ? -9.582  -31.573 -29.258 1.000 22.539 ? 260 ASP   AaA CA  1 ? 
ATOM   1478 C C   . ASP   A 1 187 ? -8.884  -30.387 -28.598 1.000 22.009 ? 260 ASP   AaA C   1 ? 
ATOM   1479 O O   . ASP   A 1 187 ? -8.917  -30.321 -27.342 1.000 24.909 ? 260 ASP   AaA O   1 ? 
ATOM   1480 C CB  . ASP   A 1 187 ? -8.896  -32.874 -28.848 1.000 22.513 ? 260 ASP   AaA CB  1 ? 
ATOM   1481 C CG  . ASP   A 1 187 ? -9.668  -34.102 -29.275 1.000 24.780 ? 260 ASP   AaA CG  1 ? 
ATOM   1482 O OD1 . ASP   A 1 187 ? -10.891 -34.115 -29.028 1.000 27.203 ? 260 ASP   AaA OD1 1 ? 
ATOM   1483 O OD2 . ASP   A 1 187 ? -9.072  -35.025 -29.881 1.000 23.375 ? 260 ASP   AaA OD2 1 ? 
ATOM   1484 N N   . LEU   A 1 188 ? -8.189  -29.555 -29.370 1.000 21.470 ? 261 LEU   AaA N   1 ? 
ATOM   1485 C CA  . LEU   A 1 188 ? -7.394  -28.441 -28.814 1.000 22.114 ? 261 LEU   AaA CA  1 ? 
ATOM   1486 C C   . LEU   A 1 188 ? -8.244  -27.184 -28.795 1.000 24.606 ? 261 LEU   AaA C   1 ? 
ATOM   1487 O O   . LEU   A 1 188 ? -9.103  -27.002 -29.684 1.000 28.035 ? 261 LEU   AaA O   1 ? 
ATOM   1488 C CB  . LEU   A 1 188 ? -6.133  -28.201 -29.636 1.000 22.813 ? 261 LEU   AaA CB  1 ? 
ATOM   1489 C CG  . LEU   A 1 188 ? -5.241  -29.419 -29.847 1.000 23.440 ? 261 LEU   AaA CG  1 ? 
ATOM   1490 C CD1 . LEU   A 1 188 ? -4.047  -29.046 -30.703 1.000 26.325 ? 261 LEU   AaA CD1 1 ? 
ATOM   1491 C CD2 . LEU   A 1 188 ? -4.785  -30.020 -28.524 1.000 25.270 ? 261 LEU   AaA CD2 1 ? 
ATOM   1492 N N   . ASP   A 1 189 ? -7.984  -26.344 -27.811 1.000 21.573 ? 262 ASP   AaA N   1 ? 
ATOM   1493 C CA  . ASP   A 1 189 ? -8.678  -25.047 -27.678 1.000 22.259 ? 262 ASP   AaA CA  1 ? 
ATOM   1494 C C   . ASP   A 1 189 ? -7.896  -23.959 -28.409 1.000 23.597 ? 262 ASP   AaA C   1 ? 
ATOM   1495 O O   . ASP   A 1 189 ? -6.894  -24.254 -29.085 1.000 23.471 ? 262 ASP   AaA O   1 ? 
ATOM   1496 C CB  . ASP   A 1 189 ? -8.903  -24.742 -26.204 1.000 22.615 ? 262 ASP   AaA CB  1 ? 
ATOM   1497 C CG  . ASP   A 1 189 ? -7.642  -24.430 -25.422 1.000 23.447 ? 262 ASP   AaA CG  1 ? 
ATOM   1498 O OD1 . ASP   A 1 189 ? -6.590  -24.171 -26.037 1.000 23.312 ? 262 ASP   AaA OD1 1 ? 
ATOM   1499 O OD2 . ASP   A 1 189 ? -7.740  -24.442 -24.184 1.000 26.279 ? 262 ASP   AaA OD2 1 ? 
ATOM   1500 N N   . MET   A 1 190 ? -8.382  -22.730 -28.285 1.000 22.969 ? 263 MET   AaA N   1 ? 
ATOM   1501 C CA  A MET   A 1 190 ? -7.821  -21.580 -29.043 0.700 24.557 ? 263 MET   AaA CA  1 ? 
ATOM   1502 C CA  B MET   A 1 190 ? -7.855  -21.508 -28.949 0.300 24.341 ? 263 MET   AaA CA  1 ? 
ATOM   1503 C C   . MET   A 1 190 ? -6.374  -21.287 -28.614 1.000 26.018 ? 263 MET   AaA C   1 ? 
ATOM   1504 O O   . MET   A 1 190 ? -5.697  -20.525 -29.343 1.000 29.084 ? 263 MET   AaA O   1 ? 
ATOM   1505 C CB  A MET   A 1 190 ? -8.687  -20.327 -28.888 0.700 25.871 ? 263 MET   AaA CB  1 ? 
ATOM   1506 C CB  B MET   A 1 190 ? -8.670  -20.287 -28.508 0.300 24.371 ? 263 MET   AaA CB  1 ? 
ATOM   1507 C CG  A MET   A 1 190 ? -8.695  -19.727 -27.490 0.700 25.516 ? 263 MET   AaA CG  1 ? 
ATOM   1508 C CG  B MET   A 1 190 ? -8.751  -20.069 -26.992 0.300 23.201 ? 263 MET   AaA CG  1 ? 
ATOM   1509 S SD  A MET   A 1 190 ? -9.869  -18.355 -27.355 0.700 28.764 ? 263 MET   AaA SD  1 ? 
ATOM   1510 S SD  B MET   A 1 190 ? -9.903  -18.720 -26.647 0.300 22.799 ? 263 MET   AaA SD  1 ? 
ATOM   1511 C CE  A MET   A 1 190 ? -11.427 -19.247 -27.301 0.700 24.184 ? 263 MET   AaA CE  1 ? 
ATOM   1512 C CE  B MET   A 1 190 ? -9.974  -18.088 -28.319 0.300 20.142 ? 263 MET   AaA CE  1 ? 
ATOM   1513 N N   . ASN   A 1 191 ? -5.887  -21.900 -27.537 1.000 25.423 ? 264 ASN   AaA N   1 ? 
ATOM   1514 C CA  . ASN   A 1 191 ? -4.474  -21.733 -27.102 1.000 25.211 ? 264 ASN   AaA CA  1 ? 
ATOM   1515 C C   . ASN   A 1 191 ? -3.662  -23.004 -27.334 1.000 25.399 ? 264 ASN   AaA C   1 ? 
ATOM   1516 O O   . ASN   A 1 191 ? -2.546  -23.105 -26.806 1.000 27.289 ? 264 ASN   AaA O   1 ? 
ATOM   1517 C CB  . ASN   A 1 191 ? -4.425  -21.325 -25.642 1.000 27.212 ? 264 ASN   AaA CB  1 ? 
ATOM   1518 C CG  . ASN   A 1 191 ? -5.105  -19.994 -25.454 1.000 29.450 ? 264 ASN   AaA CG  1 ? 
ATOM   1519 O OD1 . ASN   A 1 191 ? -4.865  -19.048 -26.211 1.000 33.008 ? 264 ASN   AaA OD1 1 ? 
ATOM   1520 N ND2 . ASN   A 1 191 ? -6.000  -19.940 -24.486 1.000 31.861 ? 264 ASN   AaA ND2 1 ? 
ATOM   1521 N N   . GLN   A 1 192 ? -4.212  -23.929 -28.108 1.000 24.498 ? 265 GLN   AaA N   1 ? 
ATOM   1522 C CA  . GLN   A 1 192 ? -3.548  -25.209 -28.473 1.000 25.510 ? 265 GLN   AaA CA  1 ? 
ATOM   1523 C C   . GLN   A 1 192 ? -3.342  -26.094 -27.243 1.000 25.964 ? 265 GLN   AaA C   1 ? 
ATOM   1524 O O   . GLN   A 1 192 ? -2.481  -26.982 -27.280 1.000 28.125 ? 265 GLN   AaA O   1 ? 
ATOM   1525 C CB  . GLN   A 1 192 ? -2.256  -24.938 -29.250 1.000 30.540 ? 265 GLN   AaA CB  1 ? 
ATOM   1526 C CG  . GLN   A 1 192 ? -2.538  -24.403 -30.643 1.000 36.804 ? 265 GLN   AaA CG  1 ? 
ATOM   1527 C CD  . GLN   A 1 192 ? -1.287  -24.322 -31.480 1.000 44.769 ? 265 GLN   AaA CD  1 ? 
ATOM   1528 O OE1 . GLN   A 1 192 ? -0.436  -23.459 -31.269 1.000 51.563 ? 265 GLN   AaA OE1 1 ? 
ATOM   1529 N NE2 . GLN   A 1 192 ? -1.166  -25.228 -32.438 1.000 49.150 ? 265 GLN   AaA NE2 1 ? 
ATOM   1530 N N   . HIS   A 1 193 ? -4.181  -25.929 -26.225 1.000 22.611 ? 266 HIS   AaA N   1 ? 
ATOM   1531 C CA  A HIS   A 1 193 ? -4.262  -26.851 -25.068 0.500 23.035 ? 266 HIS   AaA CA  1 ? 
ATOM   1532 C CA  B HIS   A 1 193 ? -4.253  -26.853 -25.069 0.500 23.891 ? 266 HIS   AaA CA  1 ? 
ATOM   1533 C C   . HIS   A 1 193 ? -5.420  -27.828 -25.272 1.000 22.772 ? 266 HIS   AaA C   1 ? 
ATOM   1534 O O   . HIS   A 1 193 ? -6.441  -27.432 -25.870 1.000 23.117 ? 266 HIS   AaA O   1 ? 
ATOM   1535 C CB  A HIS   A 1 193 ? -4.500  -26.083 -23.765 0.500 23.523 ? 266 HIS   AaA CB  1 ? 
ATOM   1536 C CB  B HIS   A 1 193 ? -4.426  -26.065 -23.764 0.500 26.061 ? 266 HIS   AaA CB  1 ? 
ATOM   1537 C CG  A HIS   A 1 193 ? -3.319  -25.311 -23.289 0.500 25.750 ? 266 HIS   AaA CG  1 ? 
ATOM   1538 C CG  B HIS   A 1 193 ? -3.224  -25.292 -23.330 0.500 30.340 ? 266 HIS   AaA CG  1 ? 
ATOM   1539 N ND1 A HIS   A 1 193 ? -2.539  -25.742 -22.229 0.500 27.147 ? 266 HIS   AaA ND1 1 ? 
ATOM   1540 N ND1 B HIS   A 1 193 ? -2.375  -24.664 -24.219 0.500 32.782 ? 266 HIS   AaA ND1 1 ? 
ATOM   1541 C CD2 A HIS   A 1 193 ? -2.795  -24.140 -23.703 0.500 26.724 ? 266 HIS   AaA CD2 1 ? 
ATOM   1542 C CD2 B HIS   A 1 193 ? -2.741  -25.027 -22.095 0.500 33.324 ? 266 HIS   AaA CD2 1 ? 
ATOM   1543 C CE1 A HIS   A 1 193 ? -1.570  -24.870 -22.025 0.500 28.596 ? 266 HIS   AaA CE1 1 ? 
ATOM   1544 C CE1 B HIS   A 1 193 ? -1.415  -24.053 -23.552 0.500 33.165 ? 266 HIS   AaA CE1 1 ? 
ATOM   1545 N NE2 A HIS   A 1 193 ? -1.701  -23.879 -22.923 0.500 27.381 ? 266 HIS   AaA NE2 1 ? 
ATOM   1546 N NE2 B HIS   A 1 193 ? -1.617  -24.260 -22.247 0.500 34.355 ? 266 HIS   AaA NE2 1 ? 
ATOM   1547 N N   . VAL   A 1 194 ? -5.297  -29.031 -24.754 1.000 20.968 ? 267 VAL   AaA N   1 ? 
ATOM   1548 C CA  . VAL   A 1 194 ? -6.413  -30.008 -24.830 1.000 19.991 ? 267 VAL   AaA CA  1 ? 
ATOM   1549 C C   . VAL   A 1 194 ? -7.616  -29.424 -24.076 1.000 19.903 ? 267 VAL   AaA C   1 ? 
ATOM   1550 O O   . VAL   A 1 194 ? -7.483  -28.938 -22.942 1.000 19.650 ? 267 VAL   AaA O   1 ? 
ATOM   1551 C CB  . VAL   A 1 194 ? -5.982  -31.371 -24.288 1.000 20.957 ? 267 VAL   AaA CB  1 ? 
ATOM   1552 C CG1 . VAL   A 1 194 ? -7.159  -32.321 -24.234 1.000 21.779 ? 267 VAL   AaA CG1 1 ? 
ATOM   1553 C CG2 . VAL   A 1 194 ? -4.876  -31.963 -25.148 1.000 22.765 ? 267 VAL   AaA CG2 1 ? 
ATOM   1554 N N   . ASN   A 1 195 ? -8.765  -29.405 -24.740 1.000 20.783 ? 268 ASN   AaA N   1 ? 
ATOM   1555 C CA  . ASN   A 1 195 ? -10.020 -28.863 -24.162 1.000 20.839 ? 268 ASN   AaA CA  1 ? 
ATOM   1556 C C   . ASN   A 1 195 ? -10.398 -29.727 -22.965 1.000 22.543 ? 268 ASN   AaA C   1 ? 
ATOM   1557 O O   . ASN   A 1 195 ? -10.278 -30.968 -23.065 1.000 22.590 ? 268 ASN   AaA O   1 ? 
ATOM   1558 C CB  . ASN   A 1 195 ? -11.116 -28.820 -25.227 1.000 23.685 ? 268 ASN   AaA CB  1 ? 
ATOM   1559 C CG  . ASN   A 1 195 ? -12.401 -28.180 -24.746 1.000 28.960 ? 268 ASN   AaA CG  1 ? 
ATOM   1560 O OD1 . ASN   A 1 195 ? -12.983 -28.587 -23.745 1.000 29.959 ? 268 ASN   AaA OD1 1 ? 
ATOM   1561 N ND2 . ASN   A 1 195 ? -12.858 -27.162 -25.456 1.000 29.655 ? 268 ASN   AaA ND2 1 ? 
ATOM   1562 N N   . ASN   A 1 196 ? -10.939 -29.126 -21.909 1.000 22.499 ? 269 ASN   AaA N   1 ? 
ATOM   1563 C CA  . ASN   A 1 196 ? -11.266 -29.889 -20.678 1.000 25.749 ? 269 ASN   AaA CA  1 ? 
ATOM   1564 C C   . ASN   A 1 196 ? -12.307 -30.974 -20.966 1.000 22.874 ? 269 ASN   AaA C   1 ? 
ATOM   1565 O O   . ASN   A 1 196 ? -12.371 -31.958 -20.219 1.000 24.568 ? 269 ASN   AaA O   1 ? 
ATOM   1566 C CB  . ASN   A 1 196 ? -11.749 -28.970 -19.565 1.000 30.760 ? 269 ASN   AaA CB  1 ? 
ATOM   1567 C CG  . ASN   A 1 196 ? -10.600 -28.279 -18.869 1.000 36.872 ? 269 ASN   AaA CG  1 ? 
ATOM   1568 O OD1 . ASN   A 1 196 ? -9.453  -28.700 -18.983 1.000 43.182 ? 269 ASN   AaA OD1 1 ? 
ATOM   1569 N ND2 . ASN   A 1 196 ? -10.906 -27.221 -18.140 1.000 41.810 ? 269 ASN   AaA ND2 1 ? 
ATOM   1570 N N   . VAL   A 1 197 ? -13.175 -30.764 -21.945 1.000 19.806 ? 270 VAL   AaA N   1 ? 
ATOM   1571 C CA  . VAL   A 1 197 ? -14.259 -31.742 -22.226 1.000 19.961 ? 270 VAL   AaA CA  1 ? 
ATOM   1572 C C   . VAL   A 1 197 ? -13.639 -33.013 -22.820 1.000 18.313 ? 270 VAL   AaA C   1 ? 
ATOM   1573 O O   . VAL   A 1 197 ? -14.225 -34.117 -22.684 1.000 18.707 ? 270 VAL   AaA O   1 ? 
ATOM   1574 C CB  . VAL   A 1 197 ? -15.318 -31.100 -23.136 1.000 20.107 ? 270 VAL   AaA CB  1 ? 
ATOM   1575 C CG1 . VAL   A 1 197 ? -16.369 -32.100 -23.546 1.000 21.123 ? 270 VAL   AaA CG1 1 ? 
ATOM   1576 C CG2 . VAL   A 1 197 ? -15.930 -29.905 -22.418 1.000 22.104 ? 270 VAL   AaA CG2 1 ? 
ATOM   1577 N N   . THR   A 1 198 ? -12.501 -32.897 -23.510 1.000 17.850 ? 271 THR   AaA N   1 ? 
ATOM   1578 C CA  . THR   A 1 198 ? -11.821 -34.077 -24.087 1.000 18.497 ? 271 THR   AaA CA  1 ? 
ATOM   1579 C C   . THR   A 1 198 ? -11.528 -35.079 -22.956 1.000 17.344 ? 271 THR   AaA C   1 ? 
ATOM   1580 O O   . THR   A 1 198 ? -11.662 -36.281 -23.182 1.000 18.456 ? 271 THR   AaA O   1 ? 
ATOM   1581 C CB  . THR   A 1 198 ? -10.547 -33.670 -24.831 1.000 20.940 ? 271 THR   AaA CB  1 ? 
ATOM   1582 O OG1 . THR   A 1 198 ? -10.914 -32.755 -25.864 1.000 24.270 ? 271 THR   AaA OG1 1 ? 
ATOM   1583 C CG2 . THR   A 1 198 ? -9.848  -34.868 -25.437 1.000 22.014 ? 271 THR   AaA CG2 1 ? 
ATOM   1584 N N   . TYR   A 1 199 ? -11.148 -34.602 -21.786 1.000 17.874 ? 272 TYR   AaA N   1 ? 
ATOM   1585 C CA  . TYR   A 1 199 ? -10.809 -35.509 -20.659 1.000 19.422 ? 272 TYR   AaA CA  1 ? 
ATOM   1586 C C   . TYR   A 1 199 ? -12.058 -36.282 -20.247 1.000 17.531 ? 272 TYR   AaA C   1 ? 
ATOM   1587 O O   . TYR   A 1 199 ? -11.941 -37.454 -19.886 1.000 19.340 ? 272 TYR   AaA O   1 ? 
ATOM   1588 C CB  . TYR   A 1 199 ? -10.224 -34.734 -19.485 1.000 20.516 ? 272 TYR   AaA CB  1 ? 
ATOM   1589 C CG  . TYR   A 1 199 ? -8.956  -33.981 -19.794 1.000 23.050 ? 272 TYR   AaA CG  1 ? 
ATOM   1590 C CD1 . TYR   A 1 199 ? -7.739  -34.639 -19.859 1.000 24.949 ? 272 TYR   AaA CD1 1 ? 
ATOM   1591 C CD2 . TYR   A 1 199 ? -8.956  -32.618 -20.039 1.000 24.469 ? 272 TYR   AaA CD2 1 ? 
ATOM   1592 C CE1 . TYR   A 1 199 ? -6.566  -33.963 -20.148 1.000 24.327 ? 272 TYR   AaA CE1 1 ? 
ATOM   1593 C CE2 . TYR   A 1 199 ? -7.787  -31.929 -20.326 1.000 25.804 ? 272 TYR   AaA CE2 1 ? 
ATOM   1594 C CZ  . TYR   A 1 199 ? -6.579  -32.605 -20.382 1.000 26.443 ? 272 TYR   AaA CZ  1 ? 
ATOM   1595 O OH  . TYR   A 1 199 ? -5.395  -31.976 -20.666 1.000 26.282 ? 272 TYR   AaA OH  1 ? 
ATOM   1596 N N   . ILE   A 1 200 ? -13.242 -35.653 -20.267 1.000 17.382 ? 273 ILE   AaA N   1 ? 
ATOM   1597 C CA  . ILE   A 1 200 ? -14.495 -36.399 -19.971 1.000 17.606 ? 273 ILE   AaA CA  1 ? 
ATOM   1598 C C   . ILE   A 1 200 ? -14.672 -37.514 -20.992 1.000 17.980 ? 273 ILE   AaA C   1 ? 
ATOM   1599 O O   . ILE   A 1 200 ? -14.949 -38.675 -20.624 1.000 17.797 ? 273 ILE   AaA O   1 ? 
ATOM   1600 C CB  . ILE   A 1 200 ? -15.708 -35.456 -19.963 1.000 18.504 ? 273 ILE   AaA CB  1 ? 
ATOM   1601 C CG1 . ILE   A 1 200 ? -15.538 -34.446 -18.834 1.000 19.283 ? 273 ILE   AaA CG1 1 ? 
ATOM   1602 C CG2 . ILE   A 1 200 ? -16.994 -36.254 -19.896 1.000 19.643 ? 273 ILE   AaA CG2 1 ? 
ATOM   1603 C CD1 . ILE   A 1 200 ? -16.596 -33.343 -18.829 1.000 21.296 ? 273 ILE   AaA CD1 1 ? 
ATOM   1604 N N   . GLY   A 1 201 ? -14.528 -37.206 -22.282 1.000 16.560 ? 274 GLY   AaA N   1 ? 
ATOM   1605 C CA  . GLY   A 1 201 ? -14.649 -38.248 -23.306 1.000 17.224 ? 274 GLY   AaA CA  1 ? 
ATOM   1606 C C   . GLY   A 1 201 ? -13.666 -39.379 -23.072 1.000 17.401 ? 274 GLY   AaA C   1 ? 
ATOM   1607 O O   . GLY   A 1 201 ? -14.016 -40.545 -23.196 1.000 16.878 ? 274 GLY   AaA O   1 ? 
ATOM   1608 N N   . TRP   A 1 202 ? -12.426 -39.037 -22.792 1.000 17.622 ? 275 TRP   AaA N   1 ? 
ATOM   1609 C CA  . TRP   A 1 202 ? -11.397 -40.088 -22.557 1.000 17.670 ? 275 TRP   AaA CA  1 ? 
ATOM   1610 C C   . TRP   A 1 202 ? -11.728 -40.957 -21.338 1.000 17.165 ? 275 TRP   AaA C   1 ? 
ATOM   1611 O O   . TRP   A 1 202 ? -11.569 -42.198 -21.433 1.000 18.085 ? 275 TRP   AaA O   1 ? 
ATOM   1612 C CB  . TRP   A 1 202 ? -10.020 -39.454 -22.427 1.000 18.273 ? 275 TRP   AaA CB  1 ? 
ATOM   1613 C CG  . TRP   A 1 202 ? -9.448  -38.975 -23.725 1.000 18.289 ? 275 TRP   AaA CG  1 ? 
ATOM   1614 C CD1 . TRP   A 1 202 ? -9.783  -39.386 -24.983 1.000 19.756 ? 275 TRP   AaA CD1 1 ? 
ATOM   1615 C CD2 . TRP   A 1 202 ? -8.389  -38.024 -23.878 1.000 19.647 ? 275 TRP   AaA CD2 1 ? 
ATOM   1616 N NE1 . TRP   A 1 202 ? -9.017  -38.729 -25.911 1.000 20.399 ? 275 TRP   AaA NE1 1 ? 
ATOM   1617 C CE2 . TRP   A 1 202 ? -8.161  -37.891 -25.263 1.000 19.098 ? 275 TRP   AaA CE2 1 ? 
ATOM   1618 C CE3 . TRP   A 1 202 ? -7.656  -37.250 -22.982 1.000 21.014 ? 275 TRP   AaA CE3 1 ? 
ATOM   1619 C CZ2 . TRP   A 1 202 ? -7.165  -37.049 -25.764 1.000 21.940 ? 275 TRP   AaA CZ2 1 ? 
ATOM   1620 C CZ3 . TRP   A 1 202 ? -6.694  -36.396 -23.482 1.000 21.223 ? 275 TRP   AaA CZ3 1 ? 
ATOM   1621 C CH2 . TRP   A 1 202 ? -6.458  -36.307 -24.853 1.000 21.551 ? 275 TRP   AaA CH2 1 ? 
ATOM   1622 N N   . VAL   A 1 203 ? -12.198 -40.366 -20.247 1.000 17.371 ? 276 VAL   AaA N   1 ? 
ATOM   1623 C CA  . VAL   A 1 203 ? -12.615 -41.159 -19.059 1.000 18.116 ? 276 VAL   AaA CA  1 ? 
ATOM   1624 C C   . VAL   A 1 203 ? -13.673 -42.158 -19.497 1.000 18.711 ? 276 VAL   AaA C   1 ? 
ATOM   1625 O O   . VAL   A 1 203 ? -13.568 -43.349 -19.174 1.000 19.582 ? 276 VAL   AaA O   1 ? 
ATOM   1626 C CB  . VAL   A 1 203 ? -13.138 -40.226 -17.959 1.000 19.894 ? 276 VAL   AaA CB  1 ? 
ATOM   1627 C CG1 . VAL   A 1 203 ? -14.014 -40.973 -16.972 1.000 20.905 ? 276 VAL   AaA CG1 1 ? 
ATOM   1628 C CG2 . VAL   A 1 203 ? -11.974 -39.541 -17.287 1.000 21.266 ? 276 VAL   AaA CG2 1 ? 
ATOM   1629 N N   . LEU   A 1 204 ? -14.678 -41.701 -20.243 1.000 17.503 ? 277 LEU   AaA N   1 ? 
ATOM   1630 C CA  . LEU   A 1 204 ? -15.827 -42.565 -20.583 1.000 18.593 ? 277 LEU   AaA CA  1 ? 
ATOM   1631 C C   . LEU   A 1 204 ? -15.455 -43.655 -21.598 1.000 18.030 ? 277 LEU   AaA C   1 ? 
ATOM   1632 O O   . LEU   A 1 204 ? -16.186 -44.662 -21.669 1.000 20.208 ? 277 LEU   AaA O   1 ? 
ATOM   1633 C CB  . LEU   A 1 204 ? -16.999 -41.693 -21.045 1.000 20.476 ? 277 LEU   AaA CB  1 ? 
ATOM   1634 C CG  . LEU   A 1 204 ? -17.502 -40.687 -20.004 1.000 22.943 ? 277 LEU   AaA CG  1 ? 
ATOM   1635 C CD1 . LEU   A 1 204 ? -18.560 -39.768 -20.583 1.000 25.660 ? 277 LEU   AaA CD1 1 ? 
ATOM   1636 C CD2 . LEU   A 1 204 ? -18.048 -41.399 -18.781 1.000 25.355 ? 277 LEU   AaA CD2 1 ? 
ATOM   1637 N N   . GLU   A 1 205 ? -14.387 -43.483 -22.373 1.000 18.552 ? 278 GLU   AaA N   1 ? 
ATOM   1638 C CA  . GLU   A 1 205 ? -13.993 -44.448 -23.426 1.000 19.560 ? 278 GLU   AaA CA  1 ? 
ATOM   1639 C C   . GLU   A 1 205 ? -13.750 -45.839 -22.840 1.000 18.855 ? 278 GLU   AaA C   1 ? 
ATOM   1640 O O   . GLU   A 1 205 ? -13.920 -46.833 -23.581 1.000 21.037 ? 278 GLU   AaA O   1 ? 
ATOM   1641 C CB  . GLU   A 1 205 ? -12.721 -43.997 -24.124 1.000 21.048 ? 278 GLU   AaA CB  1 ? 
ATOM   1642 C CG  . GLU   A 1 205 ? -12.964 -43.137 -25.346 1.000 27.894 ? 278 GLU   AaA CG  1 ? 
ATOM   1643 C CD  . GLU   A 1 205 ? -13.894 -43.726 -26.400 1.000 28.036 ? 278 GLU   AaA CD  1 ? 
ATOM   1644 O OE1 . GLU   A 1 205 ? -15.051 -43.287 -26.462 1.000 25.510 ? 278 GLU   AaA OE1 1 ? 
ATOM   1645 O OE2 . GLU   A 1 205 ? -13.464 -44.586 -27.184 1.000 36.355 ? 278 GLU   AaA OE2 1 ? 
ATOM   1646 N N   . SER   A 1 206 ? -13.317 -45.936 -21.591 1.000 18.283 ? 279 SER   AaA N   1 ? 
ATOM   1647 C CA  . SER   A 1 206 ? -13.036 -47.264 -20.994 1.000 19.549 ? 279 SER   AaA CA  1 ? 
ATOM   1648 C C   . SER   A 1 206 ? -14.267 -47.868 -20.314 1.000 20.038 ? 279 SER   AaA C   1 ? 
ATOM   1649 O O   . SER   A 1 206 ? -14.140 -48.983 -19.794 1.000 23.524 ? 279 SER   AaA O   1 ? 
ATOM   1650 C CB  . SER   A 1 206 ? -11.838 -47.236 -20.101 1.000 20.898 ? 279 SER   AaA CB  1 ? 
ATOM   1651 O OG  . SER   A 1 206 ? -11.937 -46.251 -19.092 1.000 19.161 ? 279 SER   AaA OG  1 ? 
ATOM   1652 N N   . ILE   A 1 207 ? -15.418 -47.202 -20.323 1.000 19.153 ? 280 ILE   AaA N   1 ? 
ATOM   1653 C CA  A ILE   A 1 207 ? -16.727 -47.758 -19.861 0.500 20.934 ? 280 ILE   AaA CA  1 ? 
ATOM   1654 C CA  B ILE   A 1 207 ? -16.641 -47.870 -19.814 0.500 20.988 ? 280 ILE   AaA CA  1 ? 
ATOM   1655 C C   . ILE   A 1 207 ? -17.134 -48.769 -20.928 1.000 21.642 ? 280 ILE   AaA C   1 ? 
ATOM   1656 O O   . ILE   A 1 207 ? -17.130 -48.408 -22.090 1.000 21.277 ? 280 ILE   AaA O   1 ? 
ATOM   1657 C CB  A ILE   A 1 207 ? -17.778 -46.628 -19.703 0.500 20.386 ? 280 ILE   AaA CB  1 ? 
ATOM   1658 C CB  B ILE   A 1 207 ? -17.701 -46.883 -19.338 0.500 20.607 ? 280 ILE   AaA CB  1 ? 
ATOM   1659 C CG1 A ILE   A 1 207 ? -17.477 -45.682 -18.532 0.500 21.033 ? 280 ILE   AaA CG1 1 ? 
ATOM   1660 C CG1 B ILE   A 1 207 ? -17.149 -46.065 -18.178 0.500 21.110 ? 280 ILE   AaA CG1 1 ? 
ATOM   1661 C CG2 A ILE   A 1 207 ? -19.208 -47.170 -19.631 0.500 20.362 ? 280 ILE   AaA CG2 1 ? 
ATOM   1662 C CG2 B ILE   A 1 207 ? -18.984 -47.608 -18.959 0.500 22.329 ? 280 ILE   AaA CG2 1 ? 
ATOM   1663 C CD1 A ILE   A 1 207 ? -18.055 -46.113 -17.195 0.500 21.470 ? 280 ILE   AaA CD1 1 ? 
ATOM   1664 C CD1 B ILE   A 1 207 ? -18.047 -44.935 -17.787 0.500 20.387 ? 280 ILE   AaA CD1 1 ? 
ATOM   1665 N N   . PRO   A 1 208 ? -17.484 -50.027 -20.606 1.000 23.272 ? 281 PRO   AaA N   1 ? 
ATOM   1666 C CA  . PRO   A 1 208 ? -17.898 -50.923 -21.679 1.000 23.717 ? 281 PRO   AaA CA  1 ? 
ATOM   1667 C C   . PRO   A 1 208 ? -19.107 -50.401 -22.456 1.000 23.216 ? 281 PRO   AaA C   1 ? 
ATOM   1668 O O   . PRO   A 1 208 ? -20.016 -49.836 -21.870 1.000 23.044 ? 281 PRO   AaA O   1 ? 
ATOM   1669 C CB  . PRO   A 1 208 ? -18.282 -52.211 -20.947 1.000 25.839 ? 281 PRO   AaA CB  1 ? 
ATOM   1670 C CG  . PRO   A 1 208 ? -17.470 -52.156 -19.676 1.000 27.775 ? 281 PRO   AaA CG  1 ? 
ATOM   1671 C CD  . PRO   A 1 208 ? -17.373 -50.688 -19.298 1.000 24.881 ? 281 PRO   AaA CD  1 ? 
ATOM   1672 N N   . GLN   A 1 209 ? -19.111 -50.633 -23.767 1.000 23.650 ? 282 GLN   AaA N   1 ? 
ATOM   1673 C CA  . GLN   A 1 209 ? -20.212 -50.173 -24.651 1.000 24.818 ? 282 GLN   AaA CA  1 ? 
ATOM   1674 C C   . GLN   A 1 209 ? -21.566 -50.712 -24.147 1.000 23.527 ? 282 GLN   AaA C   1 ? 
ATOM   1675 O O   . GLN   A 1 209 ? -22.574 -50.012 -24.245 1.000 23.932 ? 282 GLN   AaA O   1 ? 
ATOM   1676 C CB  . GLN   A 1 209 ? -19.938 -50.583 -26.097 1.000 29.430 ? 282 GLN   AaA CB  1 ? 
ATOM   1677 C CG  . GLN   A 1 209 ? -20.962 -50.005 -27.064 1.000 30.263 ? 282 GLN   AaA CG  1 ? 
ATOM   1678 C CD  . GLN   A 1 209 ? -20.912 -48.499 -27.170 1.000 33.537 ? 282 GLN   AaA CD  1 ? 
ATOM   1679 O OE1 . GLN   A 1 209 ? -19.851 -47.898 -27.318 1.000 36.649 ? 282 GLN   AaA OE1 1 ? 
ATOM   1680 N NE2 . GLN   A 1 209 ? -22.072 -47.870 -27.101 1.000 32.801 ? 282 GLN   AaA NE2 1 ? 
ATOM   1681 N N   . GLU   A 1 210 ? -21.611 -51.927 -23.597 1.000 25.596 ? 283 GLU   AaA N   1 ? 
ATOM   1682 C CA  . GLU   A 1 210 ? -22.893 -52.517 -23.128 1.000 27.192 ? 283 GLU   AaA CA  1 ? 
ATOM   1683 C C   . GLU   A 1 210 ? -23.492 -51.672 -21.995 1.000 25.788 ? 283 GLU   AaA C   1 ? 
ATOM   1684 O O   . GLU   A 1 210 ? -24.724 -51.570 -21.959 1.000 26.273 ? 283 GLU   AaA O   1 ? 
ATOM   1685 C CB  . GLU   A 1 210 ? -22.725 -53.972 -22.682 1.000 30.077 ? 283 GLU   AaA CB  1 ? 
ATOM   1686 C CG  . GLU   A 1 210 ? -22.046 -54.845 -23.721 1.000 37.112 ? 283 GLU   AaA CG  1 ? 
ATOM   1687 C CD  . GLU   A 1 210 ? -20.552 -55.051 -23.515 1.000 41.919 ? 283 GLU   AaA CD  1 ? 
ATOM   1688 O OE1 . GLU   A 1 210 ? -19.790 -54.070 -23.649 1.000 42.930 ? 283 GLU   AaA OE1 1 ? 
ATOM   1689 O OE2 . GLU   A 1 210 ? -20.152 -56.193 -23.212 1.000 47.541 ? 283 GLU   AaA OE2 1 ? 
ATOM   1690 N N   . ILE   A 1 211 ? -22.669 -51.077 -21.115 1.000 23.311 ? 284 ILE   AaA N   1 ? 
ATOM   1691 C CA  . ILE   A 1 211 ? -23.148 -50.139 -20.056 1.000 25.137 ? 284 ILE   AaA CA  1 ? 
ATOM   1692 C C   . ILE   A 1 211 ? -23.738 -48.905 -20.725 1.000 25.105 ? 284 ILE   AaA C   1 ? 
ATOM   1693 O O   . ILE   A 1 211 ? -24.823 -48.494 -20.330 1.000 24.309 ? 284 ILE   AaA O   1 ? 
ATOM   1694 C CB  . ILE   A 1 211 ? -22.027 -49.713 -19.086 1.000 24.928 ? 284 ILE   AaA CB  1 ? 
ATOM   1695 C CG1 . ILE   A 1 211 ? -21.567 -50.880 -18.221 1.000 27.971 ? 284 ILE   AaA CG1 1 ? 
ATOM   1696 C CG2 . ILE   A 1 211 ? -22.439 -48.507 -18.246 1.000 26.276 ? 284 ILE   AaA CG2 1 ? 
ATOM   1697 C CD1 . ILE   A 1 211 ? -22.662 -51.501 -17.379 1.000 29.790 ? 284 ILE   AaA CD1 1 ? 
ATOM   1698 N N   . VAL   A 1 212 ? -23.012 -48.307 -21.673 1.000 24.146 ? 285 VAL   AaA N   1 ? 
ATOM   1699 C CA  . VAL   A 1 212 ? -23.488 -47.082 -22.377 1.000 26.992 ? 285 VAL   AaA CA  1 ? 
ATOM   1700 C C   . VAL   A 1 212 ? -24.800 -47.391 -23.100 1.000 27.239 ? 285 VAL   AaA C   1 ? 
ATOM   1701 O O   . VAL   A 1 212 ? -25.682 -46.538 -23.125 1.000 30.476 ? 285 VAL   AaA O   1 ? 
ATOM   1702 C CB  . VAL   A 1 212 ? -22.419 -46.552 -23.347 1.000 30.037 ? 285 VAL   AaA CB  1 ? 
ATOM   1703 C CG1 . VAL   A 1 212 ? -22.906 -45.348 -24.143 1.000 31.763 ? 285 VAL   AaA CG1 1 ? 
ATOM   1704 C CG2 . VAL   A 1 212 ? -21.149 -46.221 -22.595 1.000 31.179 ? 285 VAL   AaA CG2 1 ? 
ATOM   1705 N N   . ASP   A 1 213 ? -24.939 -48.595 -23.642 1.000 26.401 ? 286 ASP   AaA N   1 ? 
ATOM   1706 C CA  . ASP   A 1 213 ? -26.146 -48.979 -24.411 1.000 28.740 ? 286 ASP   AaA CA  1 ? 
ATOM   1707 C C   . ASP   A 1 213 ? -27.345 -49.166 -23.483 1.000 27.816 ? 286 ASP   AaA C   1 ? 
ATOM   1708 O O   . ASP   A 1 213 ? -28.475 -49.000 -23.962 1.000 30.819 ? 286 ASP   AaA O   1 ? 
ATOM   1709 C CB  . ASP   A 1 213 ? -25.871 -50.232 -25.238 1.000 30.787 ? 286 ASP   AaA CB  1 ? 
ATOM   1710 C CG  . ASP   A 1 213 ? -24.931 -49.969 -26.395 1.000 34.364 ? 286 ASP   AaA CG  1 ? 
ATOM   1711 O OD1 . ASP   A 1 213 ? -24.768 -48.788 -26.770 1.000 36.668 ? 286 ASP   AaA OD1 1 ? 
ATOM   1712 O OD2 . ASP   A 1 213 ? -24.373 -50.944 -26.906 1.000 39.895 ? 286 ASP   AaA OD2 1 ? 
ATOM   1713 N N   . THR   A 1 214 ? -27.129 -49.526 -22.217 1.000 25.103 ? 287 THR   AaA N   1 ? 
ATOM   1714 C CA  . THR   A 1 214 ? -28.236 -49.934 -21.311 1.000 25.905 ? 287 THR   AaA CA  1 ? 
ATOM   1715 C C   . THR   A 1 214 ? -28.448 -48.973 -20.145 1.000 27.465 ? 287 THR   AaA C   1 ? 
ATOM   1716 O O   . THR   A 1 214 ? -29.425 -49.175 -19.400 1.000 29.349 ? 287 THR   AaA O   1 ? 
ATOM   1717 C CB  . THR   A 1 214 ? -27.986 -51.343 -20.765 1.000 27.255 ? 287 THR   AaA CB  1 ? 
ATOM   1718 O OG1 . THR   A 1 214 ? -26.724 -51.370 -20.099 1.000 26.918 ? 287 THR   AaA OG1 1 ? 
ATOM   1719 C CG2 . THR   A 1 214 ? -28.022 -52.372 -21.872 1.000 28.241 ? 287 THR   AaA CG2 1 ? 
ATOM   1720 N N   . HIS   A 1 215 ? -27.580 -47.969 -19.980 1.000 22.876 ? 288 HIS   AaA N   1 ? 
ATOM   1721 C CA  . HIS   A 1 215 ? -27.646 -47.041 -18.832 1.000 23.750 ? 288 HIS   AaA CA  1 ? 
ATOM   1722 C C   . HIS   A 1 215 ? -27.481 -45.611 -19.323 1.000 23.325 ? 288 HIS   AaA C   1 ? 
ATOM   1723 O O   . HIS   A 1 215 ? -26.928 -45.408 -20.414 1.000 25.075 ? 288 HIS   AaA O   1 ? 
ATOM   1724 C CB  . HIS   A 1 215 ? -26.529 -47.320 -17.831 1.000 23.349 ? 288 HIS   AaA CB  1 ? 
ATOM   1725 C CG  . HIS   A 1 215 ? -26.656 -48.611 -17.101 1.000 26.157 ? 288 HIS   AaA CG  1 ? 
ATOM   1726 N ND1 . HIS   A 1 215 ? -26.475 -49.836 -17.715 1.000 30.305 ? 288 HIS   AaA ND1 1 ? 
ATOM   1727 C CD2 . HIS   A 1 215 ? -26.882 -48.869 -15.798 1.000 26.718 ? 288 HIS   AaA CD2 1 ? 
ATOM   1728 C CE1 . HIS   A 1 215 ? -26.633 -50.798 -16.826 1.000 29.686 ? 288 HIS   AaA CE1 1 ? 
ATOM   1729 N NE2 . HIS   A 1 215 ? -26.867 -50.235 -15.642 1.000 29.553 ? 288 HIS   AaA NE2 1 ? 
ATOM   1730 N N   . GLU   A 1 216 ? -27.881 -44.678 -18.475 1.000 23.113 ? 289 GLU   AaA N   1 ? 
ATOM   1731 C CA  . GLU   A 1 216 ? -27.603 -43.241 -18.677 1.000 24.702 ? 289 GLU   AaA CA  1 ? 
ATOM   1732 C C   . GLU   A 1 216 ? -26.690 -42.781 -17.556 1.000 20.885 ? 289 GLU   AaA C   1 ? 
ATOM   1733 O O   . GLU   A 1 216 ? -26.868 -43.190 -16.402 1.000 20.800 ? 289 GLU   AaA O   1 ? 
ATOM   1734 C CB  . GLU   A 1 216 ? -28.893 -42.430 -18.702 1.000 26.266 ? 289 GLU   AaA CB  1 ? 
ATOM   1735 C CG  . GLU   A 1 216 ? -29.750 -42.798 -19.898 1.000 31.812 ? 289 GLU   AaA CG  1 ? 
ATOM   1736 C CD  . GLU   A 1 216 ? -30.798 -41.776 -20.279 1.000 40.782 ? 289 GLU   AaA CD  1 ? 
ATOM   1737 O OE1 . GLU   A 1 216 ? -31.182 -40.967 -19.414 1.000 47.744 ? 289 GLU   AaA OE1 1 ? 
ATOM   1738 O OE2 . GLU   A 1 216 ? -31.224 -41.800 -21.446 1.000 50.025 ? 289 GLU   AaA OE2 1 ? 
ATOM   1739 N N   . LEU   A 1 217 ? -25.745 -41.926 -17.904 1.000 20.222 ? 290 LEU   AaA N   1 ? 
ATOM   1740 C CA  . LEU   A 1 217 ? -24.871 -41.333 -16.881 1.000 18.991 ? 290 LEU   AaA CA  1 ? 
ATOM   1741 C C   . LEU   A 1 217 ? -25.679 -40.334 -16.061 1.000 17.352 ? 290 LEU   AaA C   1 ? 
ATOM   1742 O O   . LEU   A 1 217 ? -26.282 -39.408 -16.644 1.000 20.164 ? 290 LEU   AaA O   1 ? 
ATOM   1743 C CB  . LEU   A 1 217 ? -23.677 -40.700 -17.580 1.000 19.077 ? 290 LEU   AaA CB  1 ? 
ATOM   1744 C CG  . LEU   A 1 217 ? -22.716 -39.959 -16.669 1.000 21.671 ? 290 LEU   AaA CG  1 ? 
ATOM   1745 C CD1 . LEU   A 1 217 ? -22.010 -40.894 -15.721 1.000 25.005 ? 290 LEU   AaA CD1 1 ? 
ATOM   1746 C CD2 . LEU   A 1 217 ? -21.698 -39.225 -17.529 1.000 26.464 ? 290 LEU   AaA CD2 1 ? 
ATOM   1747 N N   . GLN   A 1 218 ? -25.711 -40.523 -14.751 1.000 17.042 ? 291 GLN   AaA N   1 ? 
ATOM   1748 C CA  . GLN   A 1 218 ? -26.405 -39.606 -13.821 1.000 17.767 ? 291 GLN   AaA CA  1 ? 
ATOM   1749 C C   . GLN   A 1 218 ? -25.428 -38.633 -13.179 1.000 17.382 ? 291 GLN   AaA C   1 ? 
ATOM   1750 O O   . GLN   A 1 218 ? -25.765 -37.458 -13.064 1.000 18.511 ? 291 GLN   AaA O   1 ? 
ATOM   1751 C CB  . GLN   A 1 218 ? -27.118 -40.404 -12.748 1.000 21.819 ? 291 GLN   AaA CB  1 ? 
ATOM   1752 C CG  . GLN   A 1 218 ? -28.020 -39.529 -11.906 1.000 27.483 ? 291 GLN   AaA CG  1 ? 
ATOM   1753 C CD  . GLN   A 1 218 ? -29.038 -40.382 -11.198 1.000 33.979 ? 291 GLN   AaA CD  1 ? 
ATOM   1754 O OE1 . GLN   A 1 218 ? -28.936 -40.624 -9.999  1.000 41.393 ? 291 GLN   AaA OE1 1 ? 
ATOM   1755 N NE2 . GLN   A 1 218 ? -29.996 -40.890 -11.954 1.000 37.269 ? 291 GLN   AaA NE2 1 ? 
ATOM   1756 N N   . VAL   A 1 219 ? -24.253 -39.084 -12.758 1.000 16.494 ? 292 VAL   AaA N   1 ? 
ATOM   1757 C CA  . VAL   A 1 219 ? -23.296 -38.222 -12.023 1.000 16.993 ? 292 VAL   AaA CA  1 ? 
ATOM   1758 C C   . VAL   A 1 219 ? -21.902 -38.500 -12.531 1.000 16.349 ? 292 VAL   AaA C   1 ? 
ATOM   1759 O O   . VAL   A 1 219 ? -21.552 -39.688 -12.706 1.000 17.397 ? 292 VAL   AaA O   1 ? 
ATOM   1760 C CB  . VAL   A 1 219 ? -23.344 -38.440 -10.505 1.000 18.957 ? 292 VAL   AaA CB  1 ? 
ATOM   1761 C CG1 . VAL   A 1 219 ? -22.448 -37.444 -9.803  1.000 20.767 ? 292 VAL   AaA CG1 1 ? 
ATOM   1762 C CG2 . VAL   A 1 219 ? -24.764 -38.356 -9.963  1.000 21.239 ? 292 VAL   AaA CG2 1 ? 
ATOM   1763 N N   . ILE   A 1 220 ? -21.143 -37.448 -12.760 1.000 16.404 ? 293 ILE   AaA N   1 ? 
ATOM   1764 C CA  . ILE   A 1 220 ? -19.688 -37.584 -12.999 1.000 16.018 ? 293 ILE   AaA CA  1 ? 
ATOM   1765 C C   . ILE   A 1 220 ? -18.981 -36.597 -12.093 1.000 16.856 ? 293 ILE   AaA C   1 ? 
ATOM   1766 O O   . ILE   A 1 220 ? -19.386 -35.418 -12.019 1.000 17.521 ? 293 ILE   AaA O   1 ? 
ATOM   1767 C CB  . ILE   A 1 220 ? -19.301 -37.402 -14.477 1.000 16.250 ? 293 ILE   AaA CB  1 ? 
ATOM   1768 C CG1 . ILE   A 1 220 ? -17.787 -37.522 -14.674 1.000 17.895 ? 293 ILE   AaA CG1 1 ? 
ATOM   1769 C CG2 . ILE   A 1 220 ? -19.834 -36.097 -15.049 1.000 17.935 ? 293 ILE   AaA CG2 1 ? 
ATOM   1770 C CD1 . ILE   A 1 220 ? -17.363 -37.727 -16.108 1.000 20.013 ? 293 ILE   AaA CD1 1 ? 
ATOM   1771 N N   . THR   A 1 221 ? -17.926 -37.053 -11.449 1.000 17.496 ? 294 THR   AaA N   1 ? 
ATOM   1772 C CA  . THR   A 1 221 ? -17.003 -36.206 -10.690 1.000 16.655 ? 294 THR   AaA CA  1 ? 
ATOM   1773 C C   . THR   A 1 221 ? -15.606 -36.422 -11.248 1.000 17.411 ? 294 THR   AaA C   1 ? 
ATOM   1774 O O   . THR   A 1 221 ? -15.178 -37.582 -11.320 1.000 19.088 ? 294 THR   AaA O   1 ? 
ATOM   1775 C CB  . THR   A 1 221 ? -17.030 -36.498 -9.193  1.000 19.944 ? 294 THR   AaA CB  1 ? 
ATOM   1776 O OG1 . THR   A 1 221 ? -18.385 -36.462 -8.742  1.000 22.461 ? 294 THR   AaA OG1 1 ? 
ATOM   1777 C CG2 . THR   A 1 221 ? -16.218 -35.483 -8.431  1.000 22.565 ? 294 THR   AaA CG2 1 ? 
ATOM   1778 N N   . LEU   A 1 222 ? -14.918 -35.373 -11.637 1.000 17.590 ? 295 LEU   AaA N   1 ? 
ATOM   1779 C CA  . LEU   A 1 222 ? -13.597 -35.510 -12.266 1.000 17.560 ? 295 LEU   AaA CA  1 ? 
ATOM   1780 C C   . LEU   A 1 222 ? -12.658 -34.525 -11.602 1.000 19.163 ? 295 LEU   AaA C   1 ? 
ATOM   1781 O O   . LEU   A 1 222 ? -12.977 -33.324 -11.487 1.000 20.717 ? 295 LEU   AaA O   1 ? 
ATOM   1782 C CB  . LEU   A 1 222 ? -13.778 -35.245 -13.756 1.000 22.566 ? 295 LEU   AaA CB  1 ? 
ATOM   1783 C CG  . LEU   A 1 222 ? -12.638 -35.622 -14.683 1.000 25.455 ? 295 LEU   AaA CG  1 ? 
ATOM   1784 C CD1 . LEU   A 1 222 ? -12.205 -37.060 -14.494 1.000 25.820 ? 295 LEU   AaA CD1 1 ? 
ATOM   1785 C CD2 . LEU   A 1 222 ? -13.072 -35.403 -16.119 1.000 23.718 ? 295 LEU   AaA CD2 1 ? 
ATOM   1786 N N   . ASP   A 1 223 ? -11.524 -35.039 -11.155 1.000 18.486 ? 296 ASP   AaA N   1 ? 
ATOM   1787 C CA  . ASP   A 1 223 ? -10.388 -34.208 -10.712 1.000 21.407 ? 296 ASP   AaA CA  1 ? 
ATOM   1788 C C   . ASP   A 1 223 ? -9.443  -34.070 -11.908 1.000 22.531 ? 296 ASP   AaA C   1 ? 
ATOM   1789 O O   . ASP   A 1 223 ? -9.291  -35.019 -12.704 1.000 25.376 ? 296 ASP   AaA O   1 ? 
ATOM   1790 C CB  . ASP   A 1 223 ? -9.687  -34.807 -9.489  1.000 25.122 ? 296 ASP   AaA CB  1 ? 
ATOM   1791 C CG  . ASP   A 1 223 ? -10.521 -34.894 -8.227  1.000 29.787 ? 296 ASP   AaA CG  1 ? 
ATOM   1792 O OD1 . ASP   A 1 223 ? -11.431 -34.045 -8.047  1.000 34.783 ? 296 ASP   AaA OD1 1 ? 
ATOM   1793 O OD2 . ASP   A 1 223 ? -10.232 -35.786 -7.399  1.000 36.511 ? 296 ASP   AaA OD2 1 ? 
ATOM   1794 N N   . TYR   A 1 224 ? -8.833  -32.911 -12.039 1.000 20.679 ? 297 TYR   AaA N   1 ? 
ATOM   1795 C CA  . TYR   A 1 224 ? -7.848  -32.574 -13.090 1.000 21.640 ? 297 TYR   AaA CA  1 ? 
ATOM   1796 C C   . TYR   A 1 224 ? -6.523  -32.314 -12.383 1.000 24.059 ? 297 TYR   AaA C   1 ? 
ATOM   1797 O O   . TYR   A 1 224 ? -6.416  -31.324 -11.640 1.000 26.252 ? 297 TYR   AaA O   1 ? 
ATOM   1798 C CB  . TYR   A 1 224 ? -8.288  -31.344 -13.885 1.000 21.675 ? 297 TYR   AaA CB  1 ? 
ATOM   1799 C CG  . TYR   A 1 224 ? -9.531  -31.505 -14.715 1.000 22.681 ? 297 TYR   AaA CG  1 ? 
ATOM   1800 C CD1 . TYR   A 1 224 ? -10.781 -31.554 -14.122 1.000 24.254 ? 297 TYR   AaA CD1 1 ? 
ATOM   1801 C CD2 . TYR   A 1 224 ? -9.464  -31.526 -16.097 1.000 23.456 ? 297 TYR   AaA CD2 1 ? 
ATOM   1802 C CE1 . TYR   A 1 224 ? -11.922 -31.703 -14.894 1.000 25.386 ? 297 TYR   AaA CE1 1 ? 
ATOM   1803 C CE2 . TYR   A 1 224 ? -10.596 -31.664 -16.883 1.000 25.166 ? 297 TYR   AaA CE2 1 ? 
ATOM   1804 C CZ  . TYR   A 1 224 ? -11.826 -31.756 -16.272 1.000 25.811 ? 297 TYR   AaA CZ  1 ? 
ATOM   1805 O OH  . TYR   A 1 224 ? -12.941 -31.876 -17.072 1.000 30.591 ? 297 TYR   AaA OH  1 ? 
ATOM   1806 N N   . ARG   A 1 225 ? -5.540  -33.181 -12.620 1.000 22.781 ? 298 ARG   AaA N   1 ? 
ATOM   1807 C CA  . ARG   A 1 225 ? -4.225  -33.132 -11.919 1.000 26.985 ? 298 ARG   AaA CA  1 ? 
ATOM   1808 C C   . ARG   A 1 225 ? -3.156  -32.468 -12.790 1.000 26.402 ? 298 ARG   AaA C   1 ? 
ATOM   1809 O O   . ARG   A 1 225 ? -2.350  -31.678 -12.253 1.000 31.386 ? 298 ARG   AaA O   1 ? 
ATOM   1810 C CB  . ARG   A 1 225 ? -3.763  -34.546 -11.567 1.000 28.067 ? 298 ARG   AaA CB  1 ? 
ATOM   1811 C CG  . ARG   A 1 225 ? -2.636  -34.569 -10.545 1.000 35.368 ? 298 ARG   AaA CG  1 ? 
ATOM   1812 C CD  . ARG   A 1 225 ? -2.265  -35.978 -10.130 1.000 41.017 ? 298 ARG   AaA CD  1 ? 
ATOM   1813 N NE  . ARG   A 1 225 ? -0.848  -36.076 -9.770  1.000 44.195 ? 298 ARG   AaA NE  1 ? 
ATOM   1814 C CZ  . ARG   A 1 225 ? -0.353  -36.208 -8.539  1.000 52.264 ? 298 ARG   AaA CZ  1 ? 
ATOM   1815 N NH1 . ARG   A 1 225 ? 0.959   -36.277 -8.368  1.000 52.259 ? 298 ARG   AaA NH1 1 ? 
ATOM   1816 N NH2 . ARG   A 1 225 ? -1.154  -36.277 -7.486  1.000 55.478 ? 298 ARG   AaA NH2 1 ? 
ATOM   1817 N N   . ARG   A 1 226 ? -3.069  -32.853 -14.056 1.000 26.250 ? 299 ARG   AaA N   1 ? 
ATOM   1818 C CA  . ARG   A 1 226 ? -2.045  -32.380 -15.014 1.000 28.544 ? 299 ARG   AaA CA  1 ? 
ATOM   1819 C C   . ARG   A 1 226 ? -2.661  -32.411 -16.401 1.000 28.283 ? 299 ARG   AaA C   1 ? 
ATOM   1820 O O   . ARG   A 1 226 ? -3.613  -33.180 -16.609 1.000 27.876 ? 299 ARG   AaA O   1 ? 
ATOM   1821 C CB  . ARG   A 1 226 ? -0.818  -33.304 -15.030 1.000 33.049 ? 299 ARG   AaA CB  1 ? 
ATOM   1822 C CG  . ARG   A 1 226 ? -0.004  -33.351 -13.749 1.000 40.324 ? 299 ARG   AaA CG  1 ? 
ATOM   1823 C CD  . ARG   A 1 226 ? 1.316   -34.073 -14.008 1.000 48.896 ? 299 ARG   AaA CD  1 ? 
ATOM   1824 N NE  . ARG   A 1 226 ? 2.237   -33.298 -14.845 1.000 56.425 ? 299 ARG   AaA NE  1 ? 
ATOM   1825 C CZ  . ARG   A 1 226 ? 2.622   -33.582 -16.098 1.000 59.291 ? 299 ARG   AaA CZ  1 ? 
ATOM   1826 N NH1 . ARG   A 1 226 ? 3.464   -32.767 -16.713 1.000 60.888 ? 299 ARG   AaA NH1 1 ? 
ATOM   1827 N NH2 . ARG   A 1 226 ? 2.186   -34.656 -16.737 1.000 59.887 ? 299 ARG   AaA NH2 1 ? 
ATOM   1828 N N   . GLU   A 1 227 ? -2.129  -31.623 -17.315 1.000 27.735 ? 300 GLU   AaA N   1 ? 
ATOM   1829 C CA  . GLU   A 1 227 ? -2.591  -31.624 -18.717 1.000 28.082 ? 300 GLU   AaA CA  1 ? 
ATOM   1830 C C   . GLU   A 1 227 ? -1.976  -32.760 -19.508 1.000 29.428 ? 300 GLU   AaA C   1 ? 
ATOM   1831 O O   . GLU   A 1 227 ? -0.824  -33.150 -19.245 1.000 29.423 ? 300 GLU   AaA O   1 ? 
ATOM   1832 C CB  . GLU   A 1 227 ? -2.154  -30.355 -19.432 1.000 30.084 ? 300 GLU   AaA CB  1 ? 
ATOM   1833 C CG  . GLU   A 1 227 ? -2.822  -29.120 -18.898 1.000 31.841 ? 300 GLU   AaA CG  1 ? 
ATOM   1834 C CD  . GLU   A 1 227 ? -2.620  -27.967 -19.863 1.000 35.065 ? 300 GLU   AaA CD  1 ? 
ATOM   1835 O OE1 . GLU   A 1 227 ? -1.463  -27.484 -19.976 1.000 36.400 ? 300 GLU   AaA OE1 1 ? 
ATOM   1836 O OE2 . GLU   A 1 227 ? -3.605  -27.601 -20.543 1.000 37.460 ? 300 GLU   AaA OE2 1 ? 
ATOM   1837 N N   . CYS   A 1 228 ? -2.723  -33.210 -20.500 1.000 25.464 ? 301 CYS   AaA N   1 ? 
ATOM   1838 C CA  . CYS   A 1 228 ? -2.209  -33.929 -21.673 1.000 26.412 ? 301 CYS   AaA CA  1 ? 
ATOM   1839 C C   . CYS   A 1 228 ? -1.742  -32.845 -22.637 1.000 28.305 ? 301 CYS   AaA C   1 ? 
ATOM   1840 O O   . CYS   A 1 228 ? -2.522  -31.926 -22.919 1.000 30.076 ? 301 CYS   AaA O   1 ? 
ATOM   1841 C CB  . CYS   A 1 228 ? -3.300  -34.816 -22.254 1.000 22.063 ? 301 CYS   AaA CB  1 ? 
ATOM   1842 S SG  . CYS   A 1 228 ? -2.905  -35.694 -23.769 1.000 28.172 ? 301 CYS   AaA SG  1 ? 
ATOM   1843 N N   . GLN   A 1 229 ? -0.489  -32.922 -23.062 1.000 30.335 ? 302 GLN   AaA N   1 ? 
ATOM   1844 C CA  . GLN   A 1 229 ? 0.027   -32.050 -24.135 1.000 29.115 ? 302 GLN   AaA CA  1 ? 
ATOM   1845 C C   . GLN   A 1 229 ? -0.477  -32.576 -25.475 1.000 31.969 ? 302 GLN   AaA C   1 ? 
ATOM   1846 O O   . GLN   A 1 229 ? -0.926  -33.745 -25.544 1.000 28.259 ? 302 GLN   AaA O   1 ? 
ATOM   1847 C CB  . GLN   A 1 229 ? 1.554   -32.064 -24.130 1.000 31.502 ? 302 GLN   AaA CB  1 ? 
ATOM   1848 C CG  . GLN   A 1 229 ? 2.180   -31.817 -22.767 1.000 34.812 ? 302 GLN   AaA CG  1 ? 
ATOM   1849 C CD  . GLN   A 1 229 ? 1.697   -30.537 -22.138 1.000 36.041 ? 302 GLN   AaA CD  1 ? 
ATOM   1850 O OE1 . GLN   A 1 229 ? 1.433   -29.549 -22.820 1.000 44.326 ? 302 GLN   AaA OE1 1 ? 
ATOM   1851 N NE2 . GLN   A 1 229 ? 1.602   -30.541 -20.819 1.000 39.884 ? 302 GLN   AaA NE2 1 ? 
ATOM   1852 N N   . GLN   A 1 230 ? -0.362  -31.756 -26.519 1.000 31.398 ? 303 GLN   AaA N   1 ? 
ATOM   1853 C CA  . GLN   A 1 230 ? -0.775  -32.124 -27.897 1.000 33.452 ? 303 GLN   AaA CA  1 ? 
ATOM   1854 C C   . GLN   A 1 230 ? -0.096  -33.431 -28.329 1.000 31.474 ? 303 GLN   AaA C   1 ? 
ATOM   1855 O O   . GLN   A 1 230 ? -0.746  -34.232 -29.018 1.000 34.653 ? 303 GLN   AaA O   1 ? 
ATOM   1856 C CB  . GLN   A 1 230 ? -0.461  -30.981 -28.863 1.000 36.748 ? 303 GLN   AaA CB  1 ? 
ATOM   1857 C CG  . GLN   A 1 230 ? -0.843  -31.284 -30.305 1.000 40.451 ? 303 GLN   AaA CG  1 ? 
ATOM   1858 C CD  . GLN   A 1 230 ? -0.677  -30.082 -31.201 1.000 40.145 ? 303 GLN   AaA CD  1 ? 
ATOM   1859 O OE1 . GLN   A 1 230 ? -0.202  -29.030 -30.771 1.000 39.206 ? 303 GLN   AaA OE1 1 ? 
ATOM   1860 N NE2 . GLN   A 1 230 ? -1.074  -30.234 -32.457 1.000 43.349 ? 303 GLN   AaA NE2 1 ? 
ATOM   1861 N N   . ASP   A 1 231 ? 1.153   -33.657 -27.923 1.000 33.748 ? 304 ASP   AaA N   1 ? 
ATOM   1862 C CA  . ASP   A 1 231 ? 1.970   -34.808 -28.397 1.000 35.808 ? 304 ASP   AaA CA  1 ? 
ATOM   1863 C C   . ASP   A 1 231 ? 1.924   -35.967 -27.392 1.000 34.633 ? 304 ASP   AaA C   1 ? 
ATOM   1864 O O   . ASP   A 1 231 ? 2.644   -36.957 -27.619 1.000 33.715 ? 304 ASP   AaA O   1 ? 
ATOM   1865 C CB  . ASP   A 1 231 ? 3.415   -34.383 -28.689 1.000 42.148 ? 304 ASP   AaA CB  1 ? 
ATOM   1866 C CG  . ASP   A 1 231 ? 4.003   -33.429 -27.661 1.000 47.635 ? 304 ASP   AaA CG  1 ? 
ATOM   1867 O OD1 . ASP   A 1 231 ? 3.551   -33.459 -26.497 1.000 49.630 ? 304 ASP   AaA OD1 1 ? 
ATOM   1868 O OD2 . ASP   A 1 231 ? 4.896   -32.645 -28.041 1.000 63.252 ? 304 ASP   AaA OD2 1 ? 
ATOM   1869 N N   . ASP   A 1 232 ? 1.103   -35.873 -26.340 1.000 29.390 ? 305 ASP   AaA N   1 ? 
ATOM   1870 C CA  . ASP   A 1 232 ? 0.989   -36.945 -25.322 1.000 30.076 ? 305 ASP   AaA CA  1 ? 
ATOM   1871 C C   . ASP   A 1 232 ? -0.029  -37.999 -25.746 1.000 27.741 ? 305 ASP   AaA C   1 ? 
ATOM   1872 O O   . ASP   A 1 232 ? -0.891  -37.761 -26.629 1.000 26.802 ? 305 ASP   AaA O   1 ? 
ATOM   1873 C CB  . ASP   A 1 232 ? 0.595   -36.398 -23.953 1.000 28.058 ? 305 ASP   AaA CB  1 ? 
ATOM   1874 C CG  . ASP   A 1 232 ? 1.735   -35.817 -23.142 1.000 32.116 ? 305 ASP   AaA CG  1 ? 
ATOM   1875 O OD1 . ASP   A 1 232 ? 2.885   -36.236 -23.353 1.000 36.977 ? 305 ASP   AaA OD1 1 ? 
ATOM   1876 O OD2 . ASP   A 1 232 ? 1.455   -34.950 -22.295 1.000 33.312 ? 305 ASP   AaA OD2 1 ? 
ATOM   1877 N N   . VAL   A 1 233 ? 0.115   -39.153 -25.118 1.000 24.999 ? 306 VAL   AaA N   1 ? 
ATOM   1878 C CA  . VAL   A 1 233 ? -0.756  -40.323 -25.320 1.000 24.287 ? 306 VAL   AaA CA  1 ? 
ATOM   1879 C C   . VAL   A 1 233 ? -1.263  -40.681 -23.926 1.000 24.050 ? 306 VAL   AaA C   1 ? 
ATOM   1880 O O   . VAL   A 1 233 ? -0.494  -40.571 -22.945 1.000 24.645 ? 306 VAL   AaA O   1 ? 
ATOM   1881 C CB  . VAL   A 1 233 ? 0.009   -41.452 -26.031 1.000 24.664 ? 306 VAL   AaA CB  1 ? 
ATOM   1882 C CG1 . VAL   A 1 233 ? -0.859  -42.664 -26.264 1.000 25.962 ? 306 VAL   AaA CG1 1 ? 
ATOM   1883 C CG2 . VAL   A 1 233 ? 0.585   -40.951 -27.355 1.000 27.817 ? 306 VAL   AaA CG2 1 ? 
ATOM   1884 N N   . VAL   A 1 234 ? -2.549  -41.028 -23.860 1.000 22.158 ? 307 VAL   AaA N   1 ? 
ATOM   1885 C CA  . VAL   A 1 234 ? -3.263  -41.242 -22.577 1.000 22.133 ? 307 VAL   AaA CA  1 ? 
ATOM   1886 C C   . VAL   A 1 234 ? -3.877  -42.623 -22.565 1.000 20.030 ? 307 VAL   AaA C   1 ? 
ATOM   1887 O O   . VAL   A 1 234 ? -4.401  -43.109 -23.583 1.000 21.057 ? 307 VAL   AaA O   1 ? 
ATOM   1888 C CB  . VAL   A 1 234 ? -4.327  -40.152 -22.381 1.000 26.327 ? 307 VAL   AaA CB  1 ? 
ATOM   1889 C CG1 . VAL   A 1 234 ? -5.319  -40.524 -21.294 1.000 29.761 ? 307 VAL   AaA CG1 1 ? 
ATOM   1890 C CG2 . VAL   A 1 234 ? -3.653  -38.822 -22.095 1.000 27.907 ? 307 VAL   AaA CG2 1 ? 
ATOM   1891 N N   . ASP   A 1 235 ? -3.826  -43.227 -21.377 1.000 19.294 ? 308 ASP   AaA N   1 ? 
ATOM   1892 C CA  . ASP   A 1 235 ? -4.540  -44.466 -21.073 1.000 19.488 ? 308 ASP   AaA CA  1 ? 
ATOM   1893 C C   . ASP   A 1 235 ? -5.707  -44.127 -20.151 1.000 17.028 ? 308 ASP   AaA C   1 ? 
ATOM   1894 O O   . ASP   A 1 235 ? -5.497  -43.468 -19.133 1.000 18.601 ? 308 ASP   AaA O   1 ? 
ATOM   1895 C CB  . ASP   A 1 235 ? -3.602  -45.499 -20.452 1.000 20.557 ? 308 ASP   AaA CB  1 ? 
ATOM   1896 C CG  . ASP   A 1 235 ? -2.433  -45.851 -21.355 1.000 22.460 ? 308 ASP   AaA CG  1 ? 
ATOM   1897 O OD1 . ASP   A 1 235 ? -2.541  -45.685 -22.579 1.000 22.631 ? 308 ASP   AaA OD1 1 ? 
ATOM   1898 O OD2 . ASP   A 1 235 ? -1.404  -46.303 -20.783 1.000 25.340 ? 308 ASP   AaA OD2 1 ? 
ATOM   1899 N N   . SER   A 1 236 ? -6.848  -44.668 -20.508 1.000 17.107 ? 309 SER   AaA N   1 ? 
ATOM   1900 C CA  . SER   A 1 236 ? -8.096  -44.534 -19.722 1.000 17.099 ? 309 SER   AaA CA  1 ? 
ATOM   1901 C C   . SER   A 1 236 ? -8.394  -45.855 -19.012 1.000 17.040 ? 309 SER   AaA C   1 ? 
ATOM   1902 O O   . SER   A 1 236 ? -8.560  -46.869 -19.695 1.000 18.497 ? 309 SER   AaA O   1 ? 
ATOM   1903 C CB  . SER   A 1 236 ? -9.214  -44.170 -20.642 1.000 17.342 ? 309 SER   AaA CB  1 ? 
ATOM   1904 O OG  . SER   A 1 236 ? -10.443 -44.107 -19.925 1.000 18.201 ? 309 SER   AaA OG  1 ? 
ATOM   1905 N N   . LEU   A 1 237 ? -8.483  -45.821 -17.684 1.000 18.046 ? 310 LEU   AaA N   1 ? 
ATOM   1906 C CA  . LEU   A 1 237 ? -8.643  -47.039 -16.851 1.000 18.821 ? 310 LEU   AaA CA  1 ? 
ATOM   1907 C C   . LEU   A 1 237 ? -9.929  -46.908 -16.048 1.000 17.853 ? 310 LEU   AaA C   1 ? 
ATOM   1908 O O   . LEU   A 1 237 ? -10.162 -45.831 -15.456 1.000 17.657 ? 310 LEU   AaA O   1 ? 
ATOM   1909 C CB  . LEU   A 1 237 ? -7.432  -47.168 -15.922 1.000 19.517 ? 310 LEU   AaA CB  1 ? 
ATOM   1910 C CG  . LEU   A 1 237 ? -6.059  -47.093 -16.600 1.000 21.761 ? 310 LEU   AaA CG  1 ? 
ATOM   1911 C CD1 . LEU   A 1 237 ? -4.943  -47.165 -15.552 1.000 23.851 ? 310 LEU   AaA CD1 1 ? 
ATOM   1912 C CD2 . LEU   A 1 237 ? -5.893  -48.192 -17.644 1.000 21.725 ? 310 LEU   AaA CD2 1 ? 
ATOM   1913 N N   . THR   A 1 238 ? -10.708 -47.977 -15.979 1.000 18.483 ? 311 THR   AaA N   1 ? 
ATOM   1914 C CA  . THR   A 1 238 ? -12.015 -48.001 -15.281 1.000 18.342 ? 311 THR   AaA CA  1 ? 
ATOM   1915 C C   . THR   A 1 238 ? -12.134 -49.301 -14.497 1.000 18.687 ? 311 THR   AaA C   1 ? 
ATOM   1916 O O   . THR   A 1 238 ? -11.806 -50.372 -15.037 1.000 20.308 ? 311 THR   AaA O   1 ? 
ATOM   1917 C CB  . THR   A 1 238 ? -13.167 -47.879 -16.282 1.000 20.228 ? 311 THR   AaA CB  1 ? 
ATOM   1918 O OG1 . THR   A 1 238 ? -13.172 -46.541 -16.803 1.000 20.672 ? 311 THR   AaA OG1 1 ? 
ATOM   1919 C CG2 . THR   A 1 238 ? -14.527 -48.125 -15.677 1.000 21.467 ? 311 THR   AaA CG2 1 ? 
ATOM   1920 N N   . THR   A 1 239 ? -12.632 -49.217 -13.280 1.000 19.572 ? 312 THR   AaA N   1 ? 
ATOM   1921 C CA  . THR   A 1 239 ? -12.999 -50.398 -12.468 1.000 20.523 ? 312 THR   AaA CA  1 ? 
ATOM   1922 C C   . THR   A 1 239 ? -14.380 -50.169 -11.887 1.000 20.210 ? 312 THR   AaA C   1 ? 
ATOM   1923 O O   . THR   A 1 239 ? -14.633 -49.075 -11.368 1.000 20.283 ? 312 THR   AaA O   1 ? 
ATOM   1924 C CB  . THR   A 1 239 ? -11.954 -50.686 -11.392 1.000 20.328 ? 312 THR   AaA CB  1 ? 
ATOM   1925 O OG1 . THR   A 1 239 ? -10.745 -51.037 -12.075 1.000 21.030 ? 312 THR   AaA OG1 1 ? 
ATOM   1926 C CG2 . THR   A 1 239 ? -12.370 -51.787 -10.445 1.000 23.179 ? 312 THR   AaA CG2 1 ? 
ATOM   1927 N N   . THR   A 1 240 ? -15.217 -51.204 -11.921 1.000 21.589 ? 313 THR   AaA N   1 ? 
ATOM   1928 C CA  . THR   A 1 240 ? -16.569 -51.174 -11.321 1.000 22.057 ? 313 THR   AaA CA  1 ? 
ATOM   1929 C C   . THR   A 1 240 ? -16.414 -51.150 -9.808  1.000 24.480 ? 313 THR   AaA C   1 ? 
ATOM   1930 O O   . THR   A 1 240 ? -15.636 -51.979 -9.292  1.000 26.976 ? 313 THR   AaA O   1 ? 
ATOM   1931 C CB  . THR   A 1 240 ? -17.433 -52.362 -11.758 1.000 24.245 ? 313 THR   AaA CB  1 ? 
ATOM   1932 O OG1 . THR   A 1 240 ? -17.391 -52.498 -13.177 1.000 25.699 ? 313 THR   AaA OG1 1 ? 
ATOM   1933 C CG2 . THR   A 1 240 ? -18.880 -52.204 -11.333 1.000 26.613 ? 313 THR   AaA CG2 1 ? 
ATOM   1934 N N   . THR   A 1 241 ? -17.115 -50.248 -9.125  1.000 23.952 ? 314 THR   AaA N   1 ? 
ATOM   1935 C CA  . THR   A 1 241 ? -17.100 -50.173 -7.639  1.000 27.507 ? 314 THR   AaA CA  1 ? 
ATOM   1936 C C   . THR   A 1 241 ? -18.459 -50.551 -7.039  1.000 32.218 ? 314 THR   AaA C   1 ? 
ATOM   1937 O O   . THR   A 1 241 ? -18.492 -50.774 -5.814  1.000 39.763 ? 314 THR   AaA O   1 ? 
ATOM   1938 C CB  . THR   A 1 241 ? -16.655 -48.801 -7.136  1.000 29.708 ? 314 THR   AaA CB  1 ? 
ATOM   1939 O OG1 . THR   A 1 241 ? -17.606 -47.844 -7.607  1.000 31.450 ? 314 THR   AaA OG1 1 ? 
ATOM   1940 C CG2 . THR   A 1 241 ? -15.258 -48.451 -7.600  1.000 29.788 ? 314 THR   AaA CG2 1 ? 
ATOM   1941 N N   . SER   A 1 242 ? -19.530 -50.607 -7.827  1.000 32.773 ? 315 SER   AaA N   1 ? 
ATOM   1942 C CA  . SER   A 1 242 ? -20.852 -51.121 -7.365  1.000 38.608 ? 315 SER   AaA CA  1 ? 
ATOM   1943 C C   . SER   A 1 242 ? -20.828 -52.657 -7.343  1.000 43.589 ? 315 SER   AaA C   1 ? 
ATOM   1944 O O   . SER   A 1 242 ? -21.733 -53.231 -6.704  1.000 51.153 ? 315 SER   AaA O   1 ? 
ATOM   1945 C CB  . SER   A 1 242 ? -21.978 -50.597 -8.222  1.000 38.072 ? 315 SER   AaA CB  1 ? 
ATOM   1946 O OG  . SER   A 1 242 ? -21.685 -50.762 -9.601  1.000 30.307 ? 315 SER   AaA OG  1 ? 
ATOM   1947 N N   . ASP   A 1 260 ? -28.256 -49.387 -9.971  1.000 41.969 ? 333 ASP   AaA N   1 ? 
ATOM   1948 C CA  . ASP   A 1 260 ? -27.242 -48.380 -10.391 1.000 37.716 ? 333 ASP   AaA CA  1 ? 
ATOM   1949 C C   . ASP   A 1 260 ? -25.890 -49.062 -10.602 1.000 37.200 ? 333 ASP   AaA C   1 ? 
ATOM   1950 O O   . ASP   A 1 260 ? -25.602 -50.061 -9.914  1.000 40.841 ? 333 ASP   AaA O   1 ? 
ATOM   1951 C CB  . ASP   A 1 260 ? -27.067 -47.272 -9.352  1.000 42.656 ? 333 ASP   AaA CB  1 ? 
ATOM   1952 C CG  . ASP   A 1 260 ? -28.114 -46.175 -9.420  1.000 43.849 ? 333 ASP   AaA CG  1 ? 
ATOM   1953 O OD1 . ASP   A 1 260 ? -28.937 -46.201 -10.358 1.000 41.840 ? 333 ASP   AaA OD1 1 ? 
ATOM   1954 O OD2 . ASP   A 1 260 ? -28.092 -45.296 -8.534  1.000 48.726 ? 333 ASP   AaA OD2 1 ? 
ATOM   1955 N N   . SER   A 1 261 ? -25.090 -48.520 -11.512 1.000 29.961 ? 334 SER   AaA N   1 ? 
ATOM   1956 C CA  . SER   A 1 261 ? -23.691 -48.945 -11.750 1.000 28.283 ? 334 SER   AaA CA  1 ? 
ATOM   1957 C C   . SER   A 1 261 ? -22.763 -47.791 -11.365 1.000 24.340 ? 334 SER   AaA C   1 ? 
ATOM   1958 O O   . SER   A 1 261 ? -23.034 -46.648 -11.769 1.000 24.443 ? 334 SER   AaA O   1 ? 
ATOM   1959 C CB  . SER   A 1 261 ? -23.478 -49.378 -13.170 1.000 30.771 ? 334 SER   AaA CB  1 ? 
ATOM   1960 O OG  . SER   A 1 261 ? -24.273 -50.511 -13.492 1.000 35.935 ? 334 SER   AaA OG  1 ? 
ATOM   1961 N N   . GLN   A 1 262 ? -21.711 -48.062 -10.619 1.000 22.498 ? 335 GLN   AaA N   1 ? 
ATOM   1962 C CA  A GLN   A 1 262 ? -20.730 -47.028 -10.224 0.500 21.937 ? 335 GLN   AaA CA  1 ? 
ATOM   1963 C CA  B GLN   A 1 262 ? -20.723 -47.033 -10.218 0.500 22.289 ? 335 GLN   AaA CA  1 ? 
ATOM   1964 C C   . GLN   A 1 262 ? -19.330 -47.474 -10.638 1.000 21.277 ? 335 GLN   AaA C   1 ? 
ATOM   1965 O O   . GLN   A 1 262 ? -19.039 -48.673 -10.569 1.000 21.083 ? 335 GLN   AaA O   1 ? 
ATOM   1966 C CB  A GLN   A 1 262 ? -20.832 -46.740 -8.727  0.500 24.092 ? 335 GLN   AaA CB  1 ? 
ATOM   1967 C CB  B GLN   A 1 262 ? -20.767 -46.775 -8.715  0.500 24.888 ? 335 GLN   AaA CB  1 ? 
ATOM   1968 C CG  A GLN   A 1 262 ? -20.052 -45.510 -8.300  0.500 26.358 ? 335 GLN   AaA CG  1 ? 
ATOM   1969 C CG  B GLN   A 1 262 ? -22.147 -46.363 -8.244  0.500 27.514 ? 335 GLN   AaA CG  1 ? 
ATOM   1970 C CD  A GLN   A 1 262 ? -20.380 -45.073 -6.894  0.500 30.886 ? 335 GLN   AaA CD  1 ? 
ATOM   1971 C CD  B GLN   A 1 262 ? -22.193 -46.035 -6.775  0.500 30.339 ? 335 GLN   AaA CD  1 ? 
ATOM   1972 O OE1 A GLN   A 1 262 ? -19.692 -44.235 -6.312  0.500 33.915 ? 335 GLN   AaA OE1 1 ? 
ATOM   1973 O OE1 B GLN   A 1 262 ? -22.815 -46.743 -5.987  0.500 33.570 ? 335 GLN   AaA OE1 1 ? 
ATOM   1974 N NE2 A GLN   A 1 262 ? -21.436 -45.646 -6.337  0.500 32.091 ? 335 GLN   AaA NE2 1 ? 
ATOM   1975 N NE2 B GLN   A 1 262 ? -21.531 -44.952 -6.400  0.500 32.097 ? 335 GLN   AaA NE2 1 ? 
ATOM   1976 N N   . PHE   A 1 263 ? -18.507 -46.512 -11.046 1.000 19.134 ? 336 PHE   AaA N   1 ? 
ATOM   1977 C CA  . PHE   A 1 263 ? -17.141 -46.764 -11.551 1.000 17.982 ? 336 PHE   AaA CA  1 ? 
ATOM   1978 C C   . PHE   A 1 263 ? -16.159 -45.779 -10.961 1.000 17.286 ? 336 PHE   AaA C   1 ? 
ATOM   1979 O O   . PHE   A 1 263 ? -16.519 -44.619 -10.664 1.000 18.373 ? 336 PHE   AaA O   1 ? 
ATOM   1980 C CB  . PHE   A 1 263 ? -17.084 -46.676 -13.077 1.000 18.063 ? 336 PHE   AaA CB  1 ? 
ATOM   1981 C CG  . PHE   A 1 263 ? -18.047 -47.580 -13.792 1.000 18.480 ? 336 PHE   AaA CG  1 ? 
ATOM   1982 C CD1 . PHE   A 1 263 ? -19.342 -47.163 -14.079 1.000 20.971 ? 336 PHE   AaA CD1 1 ? 
ATOM   1983 C CD2 . PHE   A 1 263 ? -17.680 -48.873 -14.123 1.000 21.227 ? 336 PHE   AaA CD2 1 ? 
ATOM   1984 C CE1 . PHE   A 1 263 ? -20.248 -48.008 -14.703 1.000 23.155 ? 336 PHE   AaA CE1 1 ? 
ATOM   1985 C CE2 . PHE   A 1 263 ? -18.587 -49.716 -14.742 1.000 22.283 ? 336 PHE   AaA CE2 1 ? 
ATOM   1986 C CZ  . PHE   A 1 263 ? -19.866 -49.289 -15.034 1.000 23.309 ? 336 PHE   AaA CZ  1 ? 
ATOM   1987 N N   . LEU   A 1 264 ? -14.923 -46.244 -10.848 1.000 16.940 ? 337 LEU   AaA N   1 ? 
ATOM   1988 C CA  . LEU   A 1 264 ? -13.736 -45.459 -10.508 1.000 16.892 ? 337 LEU   AaA CA  1 ? 
ATOM   1989 C C   . LEU   A 1 264 ? -12.906 -45.363 -11.785 1.000 16.836 ? 337 LEU   AaA C   1 ? 
ATOM   1990 O O   . LEU   A 1 264 ? -12.796 -46.348 -12.535 1.000 18.392 ? 337 LEU   AaA O   1 ? 
ATOM   1991 C CB  . LEU   A 1 264 ? -12.964 -46.121 -9.361  1.000 18.235 ? 337 LEU   AaA CB  1 ? 
ATOM   1992 C CG  . LEU   A 1 264 ? -11.716 -45.389 -8.906  1.000 18.967 ? 337 LEU   AaA CG  1 ? 
ATOM   1993 C CD1 . LEU   A 1 264 ? -12.026 -44.004 -8.362  1.000 18.979 ? 337 LEU   AaA CD1 1 ? 
ATOM   1994 C CD2 . LEU   A 1 264 ? -11.013 -46.212 -7.830  1.000 20.884 ? 337 LEU   AaA CD2 1 ? 
ATOM   1995 N N   . HIS   A 1 265 ? -12.341 -44.198 -12.008 1.000 16.563 ? 338 HIS   AaA N   1 ? 
ATOM   1996 C CA  . HIS   A 1 265 ? -11.658 -43.885 -13.279 1.000 15.924 ? 338 HIS   AaA CA  1 ? 
ATOM   1997 C C   . HIS   A 1 265 ? -10.287 -43.291 -12.977 1.000 15.761 ? 338 HIS   AaA C   1 ? 
ATOM   1998 O O   . HIS   A 1 265 ? -10.132 -42.515 -12.037 1.000 16.369 ? 338 HIS   AaA O   1 ? 
ATOM   1999 C CB  . HIS   A 1 265 ? -12.459 -42.861 -14.081 1.000 15.272 ? 338 HIS   AaA CB  1 ? 
ATOM   2000 C CG  . HIS   A 1 265 ? -13.836 -43.317 -14.393 1.000 16.357 ? 338 HIS   AaA CG  1 ? 
ATOM   2001 N ND1 . HIS   A 1 265 ? -14.093 -44.298 -15.311 1.000 17.228 ? 338 HIS   AaA ND1 1 ? 
ATOM   2002 C CD2 . HIS   A 1 265 ? -15.048 -42.903 -13.936 1.000 16.956 ? 338 HIS   AaA CD2 1 ? 
ATOM   2003 C CE1 . HIS   A 1 265 ? -15.403 -44.480 -15.387 1.000 18.461 ? 338 HIS   AaA CE1 1 ? 
ATOM   2004 N NE2 . HIS   A 1 265 ? -16.010 -43.648 -14.543 1.000 18.249 ? 338 HIS   AaA NE2 1 ? 
ATOM   2005 N N   . LEU   A 1 266 ? -9.338  -43.588 -13.857 1.000 16.335 ? 339 LEU   AaA N   1 ? 
ATOM   2006 C CA  . LEU   A 1 266 ? -8.010  -42.951 -13.837 1.000 17.068 ? 339 LEU   AaA CA  1 ? 
ATOM   2007 C C   . LEU   A 1 266 ? -7.564  -42.734 -15.279 1.000 16.741 ? 339 LEU   AaA C   1 ? 
ATOM   2008 O O   . LEU   A 1 266 ? -7.650  -43.669 -16.071 1.000 18.019 ? 339 LEU   AaA O   1 ? 
ATOM   2009 C CB  . LEU   A 1 266 ? -7.055  -43.871 -13.060 1.000 18.413 ? 339 LEU   AaA CB  1 ? 
ATOM   2010 C CG  . LEU   A 1 266 ? -5.607  -43.403 -12.971 1.000 21.697 ? 339 LEU   AaA CG  1 ? 
ATOM   2011 C CD1 . LEU   A 1 266 ? -5.493  -42.148 -12.166 1.000 22.763 ? 339 LEU   AaA CD1 1 ? 
ATOM   2012 C CD2 . LEU   A 1 266 ? -4.751  -44.499 -12.336 1.000 23.004 ? 339 LEU   AaA CD2 1 ? 
ATOM   2013 N N   . LEU   A 1 267 ? -7.135  -41.518 -15.600 1.000 17.130 ? 340 LEU   AaA N   1 ? 
ATOM   2014 C CA  . LEU   A 1 267 ? -6.432  -41.209 -16.861 1.000 17.975 ? 340 LEU   AaA CA  1 ? 
ATOM   2015 C C   . LEU   A 1 267 ? -4.976  -41.008 -16.489 1.000 18.933 ? 340 LEU   AaA C   1 ? 
ATOM   2016 O O   . LEU   A 1 267 ? -4.691  -40.243 -15.552 1.000 19.617 ? 340 LEU   AaA O   1 ? 
ATOM   2017 C CB  . LEU   A 1 267 ? -6.922  -39.916 -17.513 1.000 19.727 ? 340 LEU   AaA CB  1 ? 
ATOM   2018 C CG  . LEU   A 1 267 ? -8.353  -39.901 -18.005 1.000 21.271 ? 340 LEU   AaA CG  1 ? 
ATOM   2019 C CD1 . LEU   A 1 267 ? -8.520  -38.681 -18.893 1.000 21.743 ? 340 LEU   AaA CD1 1 ? 
ATOM   2020 C CD2 . LEU   A 1 267 ? -8.743  -41.169 -18.748 1.000 22.432 ? 340 LEU   AaA CD2 1 ? 
ATOM   2021 N N   . ARG   A 1 268 ? -4.080  -41.701 -17.188 1.000 19.140 ? 341 ARG   AaA N   1 ? 
ATOM   2022 C CA  A ARG   A 1 268 ? -2.624  -41.579 -16.929 0.500 20.370 ? 341 ARG   AaA CA  1 ? 
ATOM   2023 C CA  B ARG   A 1 268 ? -2.634  -41.495 -16.933 0.500 21.055 ? 341 ARG   AaA CA  1 ? 
ATOM   2024 C C   . ARG   A 1 268 ? -1.897  -41.502 -18.270 1.000 19.302 ? 341 ARG   AaA C   1 ? 
ATOM   2025 O O   . ARG   A 1 268 ? -2.386  -42.074 -19.229 1.000 20.330 ? 341 ARG   AaA O   1 ? 
ATOM   2026 C CB  A ARG   A 1 268 ? -2.159  -42.737 -16.032 0.500 21.637 ? 341 ARG   AaA CB  1 ? 
ATOM   2027 C CB  B ARG   A 1 268 ? -2.112  -42.484 -15.880 0.500 24.632 ? 341 ARG   AaA CB  1 ? 
ATOM   2028 C CG  A ARG   A 1 268 ? -2.212  -44.123 -16.649 0.500 23.395 ? 341 ARG   AaA CG  1 ? 
ATOM   2029 C CG  B ARG   A 1 268 ? -2.070  -43.946 -16.283 0.500 26.269 ? 341 ARG   AaA CG  1 ? 
ATOM   2030 C CD  A ARG   A 1 268 ? -1.714  -45.163 -15.647 0.500 24.019 ? 341 ARG   AaA CD  1 ? 
ATOM   2031 C CD  B ARG   A 1 268 ? -0.966  -44.675 -15.517 0.500 28.688 ? 341 ARG   AaA CD  1 ? 
ATOM   2032 N NE  A ARG   A 1 268 ? -1.454  -46.456 -16.259 0.500 25.709 ? 341 ARG   AaA NE  1 ? 
ATOM   2033 N NE  B ARG   A 1 268 ? -1.084  -44.659 -14.061 0.500 29.819 ? 341 ARG   AaA NE  1 ? 
ATOM   2034 C CZ  A ARG   A 1 268 ? -1.303  -47.580 -15.580 0.500 27.840 ? 341 ARG   AaA CZ  1 ? 
ATOM   2035 C CZ  B ARG   A 1 268 ? -1.358  -45.736 -13.323 0.500 28.573 ? 341 ARG   AaA CZ  1 ? 
ATOM   2036 N NH1 A ARG   A 1 268 ? -1.391  -47.566 -14.260 0.500 28.398 ? 341 ARG   AaA NH1 1 ? 
ATOM   2037 N NH1 B ARG   A 1 268 ? -1.555  -46.904 -13.909 0.500 29.032 ? 341 ARG   AaA NH1 1 ? 
ATOM   2038 N NH2 A ARG   A 1 268 ? -1.068  -48.705 -16.226 0.500 29.174 ? 341 ARG   AaA NH2 1 ? 
ATOM   2039 N NH2 B ARG   A 1 268 ? -1.437  -45.653 -12.009 0.500 24.943 ? 341 ARG   AaA NH2 1 ? 
ATOM   2040 N N   . LEU   A 1 269 ? -0.781  -40.794 -18.294 1.000 20.946 ? 342 LEU   AaA N   1 ? 
ATOM   2041 C CA  . LEU   A 1 269 ? 0.052   -40.721 -19.500 1.000 22.360 ? 342 LEU   AaA CA  1 ? 
ATOM   2042 C C   . LEU   A 1 269 ? 0.541   -42.137 -19.774 1.000 23.042 ? 342 LEU   AaA C   1 ? 
ATOM   2043 O O   . LEU   A 1 269 ? 0.798   -42.921 -18.840 1.000 25.364 ? 342 LEU   AaA O   1 ? 
ATOM   2044 C CB  . LEU   A 1 269 ? 1.223   -39.756 -19.297 1.000 25.147 ? 342 LEU   AaA CB  1 ? 
ATOM   2045 C CG  . LEU   A 1 269 ? 0.853   -38.278 -19.282 1.000 29.905 ? 342 LEU   AaA CG  1 ? 
ATOM   2046 C CD1 . LEU   A 1 269 ? 2.096   -37.440 -19.022 1.000 34.462 ? 342 LEU   AaA CD1 1 ? 
ATOM   2047 C CD2 . LEU   A 1 269 ? 0.196   -37.856 -20.582 1.000 32.309 ? 342 LEU   AaA CD2 1 ? 
ATOM   2048 N N   . SER   A 1 270 ? 0.621   -42.430 -21.048 1.000 24.488 ? 343 SER   AaA N   1 ? 
ATOM   2049 C CA  . SER   A 1 270 ? 1.180   -43.673 -21.598 1.000 25.808 ? 343 SER   AaA CA  1 ? 
ATOM   2050 C C   . SER   A 1 270 ? 2.520   -44.034 -20.937 1.000 28.713 ? 343 SER   AaA C   1 ? 
ATOM   2051 O O   . SER   A 1 270 ? 3.283   -43.128 -20.533 1.000 28.621 ? 343 SER   AaA O   1 ? 
ATOM   2052 C CB  . SER   A 1 270 ? 1.323   -43.486 -23.052 1.000 27.296 ? 343 SER   AaA CB  1 ? 
ATOM   2053 O OG  . SER   A 1 270 ? 1.626   -44.717 -23.663 1.000 29.918 ? 343 SER   AaA OG  1 ? 
ATOM   2054 N N   . GLY   A 1 271 ? 2.772   -45.328 -20.767 1.000 28.269 ? 344 GLY   AaA N   1 ? 
ATOM   2055 C CA  . GLY   A 1 271 ? 4.041   -45.808 -20.171 1.000 28.164 ? 344 GLY   AaA CA  1 ? 
ATOM   2056 C C   . GLY   A 1 271 ? 4.024   -45.740 -18.654 1.000 27.415 ? 344 GLY   AaA C   1 ? 
ATOM   2057 O O   . GLY   A 1 271 ? 5.091   -45.544 -18.055 1.000 27.175 ? 344 GLY   AaA O   1 ? 
ATOM   2058 N N   . ASP   A 1 272 ? 2.851   -45.840 -18.025 1.000 28.523 ? 345 ASP   AaA N   1 ? 
ATOM   2059 C CA  . ASP   A 1 272 ? 2.701   -45.685 -16.551 1.000 26.479 ? 345 ASP   AaA CA  1 ? 
ATOM   2060 C C   . ASP   A 1 272 ? 3.319   -44.343 -16.152 1.000 28.993 ? 345 ASP   AaA C   1 ? 
ATOM   2061 O O   . ASP   A 1 272 ? 4.126   -44.292 -15.190 1.000 26.669 ? 345 ASP   AaA O   1 ? 
ATOM   2062 C CB  . ASP   A 1 272 ? 3.386   -46.824 -15.784 1.000 29.267 ? 345 ASP   AaA CB  1 ? 
ATOM   2063 C CG  . ASP   A 1 272 ? 2.972   -46.917 -14.324 1.000 32.517 ? 345 ASP   AaA CG  1 ? 
ATOM   2064 O OD1 . ASP   A 1 272 ? 1.802   -46.582 -14.006 1.000 33.058 ? 345 ASP   AaA OD1 1 ? 
ATOM   2065 O OD2 . ASP   A 1 272 ? 3.820   -47.334 -13.497 1.000 32.542 ? 345 ASP   AaA OD2 1 ? 
ATOM   2066 N N   . GLY   A 1 273 ? 2.995   -43.294 -16.896 1.000 25.489 ? 346 GLY   AaA N   1 ? 
ATOM   2067 C CA  . GLY   A 1 273 ? 3.447   -41.934 -16.569 1.000 27.769 ? 346 GLY   AaA CA  1 ? 
ATOM   2068 C C   . GLY   A 1 273 ? 2.504   -41.276 -15.573 1.000 26.642 ? 346 GLY   AaA C   1 ? 
ATOM   2069 O O   . GLY   A 1 273 ? 1.719   -41.975 -14.895 1.000 27.583 ? 346 GLY   AaA O   1 ? 
ATOM   2070 N N   . GLN   A 1 274 ? 2.640   -39.956 -15.489 1.000 26.639 ? 347 GLN   AaA N   1 ? 
ATOM   2071 C CA  . GLN   A 1 274 ? 1.902   -39.080 -14.556 1.000 28.809 ? 347 GLN   AaA CA  1 ? 
ATOM   2072 C C   . GLN   A 1 274 ? 0.387   -39.273 -14.724 1.000 24.222 ? 347 GLN   AaA C   1 ? 
ATOM   2073 O O   . GLN   A 1 274 ? -0.129  -39.401 -15.860 1.000 25.173 ? 347 GLN   AaA O   1 ? 
ATOM   2074 C CB  . GLN   A 1 274 ? 2.289   -37.620 -14.795 1.000 32.747 ? 347 GLN   AaA CB  1 ? 
ATOM   2075 C CG  . GLN   A 1 274 ? 3.742   -37.283 -14.467 1.000 38.348 ? 347 GLN   AaA CG  1 ? 
ATOM   2076 C CD  . GLN   A 1 274 ? 4.040   -37.162 -12.989 1.000 42.940 ? 347 GLN   AaA CD  1 ? 
ATOM   2077 O OE1 . GLN   A 1 274 ? 5.136   -36.771 -12.595 1.000 51.527 ? 347 GLN   AaA OE1 1 ? 
ATOM   2078 N NE2 . GLN   A 1 274 ? 3.069   -37.486 -12.151 1.000 48.877 ? 347 GLN   AaA NE2 1 ? 
ATOM   2079 N N   . GLU   A 1 275 ? -0.295  -39.306 -13.589 1.000 23.119 ? 348 GLU   AaA N   1 ? 
ATOM   2080 C CA  . GLU   A 1 275 ? -1.770  -39.188 -13.539 1.000 21.603 ? 348 GLU   AaA CA  1 ? 
ATOM   2081 C C   . GLU   A 1 275 ? -2.184  -37.838 -14.125 1.000 22.540 ? 348 GLU   AaA C   1 ? 
ATOM   2082 O O   . GLU   A 1 275 ? -1.591  -36.819 -13.771 1.000 23.239 ? 348 GLU   AaA O   1 ? 
ATOM   2083 C CB  . GLU   A 1 275 ? -2.232  -39.319 -12.094 1.000 23.532 ? 348 GLU   AaA CB  1 ? 
ATOM   2084 C CG  . GLU   A 1 275 ? -3.713  -39.059 -11.923 1.000 25.493 ? 348 GLU   AaA CG  1 ? 
ATOM   2085 C CD  . GLU   A 1 275 ? -4.207  -39.121 -10.488 1.000 29.319 ? 348 GLU   AaA CD  1 ? 
ATOM   2086 O OE1 . GLU   A 1 275 ? -5.300  -38.578 -10.216 1.000 31.953 ? 348 GLU   AaA OE1 1 ? 
ATOM   2087 O OE2 . GLU   A 1 275 ? -3.514  -39.722 -9.642  1.000 28.378 ? 348 GLU   AaA OE2 1 ? 
ATOM   2088 N N   . ILE   A 1 276 ? -3.200  -37.867 -14.975 1.000 20.976 ? 349 ILE   AaA N   1 ? 
ATOM   2089 C CA  . ILE   A 1 276 ? -3.826  -36.683 -15.635 1.000 22.301 ? 349 ILE   AaA CA  1 ? 
ATOM   2090 C C   . ILE   A 1 276 ? -5.117  -36.341 -14.889 1.000 21.029 ? 349 ILE   AaA C   1 ? 
ATOM   2091 O O   . ILE   A 1 276 ? -5.357  -35.148 -14.602 1.000 22.825 ? 349 ILE   AaA O   1 ? 
ATOM   2092 C CB  . ILE   A 1 276 ? -4.039  -37.025 -17.130 1.000 24.593 ? 349 ILE   AaA CB  1 ? 
ATOM   2093 C CG1 . ILE   A 1 276 ? -2.687  -37.286 -17.793 1.000 28.703 ? 349 ILE   AaA CG1 1 ? 
ATOM   2094 C CG2 . ILE   A 1 276 ? -4.828  -35.964 -17.887 1.000 29.294 ? 349 ILE   AaA CG2 1 ? 
ATOM   2095 C CD1 . ILE   A 1 276 ? -1.717  -36.165 -17.551 1.000 29.774 ? 349 ILE   AaA CD1 1 ? 
ATOM   2096 N N   . ASN   A 1 277 ? -5.935  -37.344 -14.590 1.000 19.719 ? 350 ASN   AaA N   1 ? 
ATOM   2097 C CA  . ASN   A 1 277 ? -7.304  -37.173 -14.042 1.000 20.100 ? 350 ASN   AaA CA  1 ? 
ATOM   2098 C C   . ASN   A 1 277 ? -7.664  -38.395 -13.209 1.000 18.377 ? 350 ASN   AaA C   1 ? 
ATOM   2099 O O   . ASN   A 1 277 ? -7.221  -39.517 -13.553 1.000 18.505 ? 350 ASN   AaA O   1 ? 
ATOM   2100 C CB  . ASN   A 1 277 ? -8.403  -37.056 -15.111 1.000 21.865 ? 350 ASN   AaA CB  1 ? 
ATOM   2101 C CG  . ASN   A 1 277 ? -8.301  -35.844 -16.008 1.000 26.673 ? 350 ASN   AaA CG  1 ? 
ATOM   2102 O OD1 . ASN   A 1 277 ? -7.576  -35.851 -17.004 1.000 29.817 ? 350 ASN   AaA OD1 1 ? 
ATOM   2103 N ND2 . ASN   A 1 277 ? -9.053  -34.808 -15.670 1.000 25.273 ? 350 ASN   AaA ND2 1 ? 
ATOM   2104 N N   . ARG   A 1 278 ? -8.485  -38.217 -12.186 1.000 18.093 ? 351 ARG   AaA N   1 ? 
ATOM   2105 C CA  . ARG   A 1 278 ? -9.192  -39.347 -11.559 1.000 18.362 ? 351 ARG   AaA CA  1 ? 
ATOM   2106 C C   . ARG   A 1 278 ? -10.653 -38.958 -11.440 1.000 16.917 ? 351 ARG   AaA C   1 ? 
ATOM   2107 O O   . ARG   A 1 278 ? -10.964 -37.750 -11.367 1.000 18.984 ? 351 ARG   AaA O   1 ? 
ATOM   2108 C CB  . ARG   A 1 278 ? -8.600  -39.773 -10.217 1.000 21.684 ? 351 ARG   AaA CB  1 ? 
ATOM   2109 C CG  . ARG   A 1 278 ? -8.671  -38.752 -9.105  1.000 22.625 ? 351 ARG   AaA CG  1 ? 
ATOM   2110 C CD  . ARG   A 1 278 ? -8.060  -39.355 -7.842  1.000 25.121 ? 351 ARG   AaA CD  1 ? 
ATOM   2111 N NE  . ARG   A 1 278 ? -6.605  -39.504 -7.885  1.000 25.814 ? 351 ARG   AaA NE  1 ? 
ATOM   2112 C CZ  . ARG   A 1 278 ? -5.857  -39.906 -6.853  1.000 27.568 ? 351 ARG   AaA CZ  1 ? 
ATOM   2113 N NH1 . ARG   A 1 278 ? -6.423  -40.225 -5.706  1.000 27.905 ? 351 ARG   AaA NH1 1 ? 
ATOM   2114 N NH2 . ARG   A 1 278 ? -4.550  -40.004 -6.970  1.000 28.737 ? 351 ARG   AaA NH2 1 ? 
ATOM   2115 N N   . GLY   A 1 279 ? -11.524 -39.938 -11.421 1.000 16.830 ? 352 GLY   AaA N   1 ? 
ATOM   2116 C CA  . GLY   A 1 279 ? -12.945 -39.582 -11.350 1.000 18.155 ? 352 GLY   AaA CA  1 ? 
ATOM   2117 C C   . GLY   A 1 279 ? -13.823 -40.713 -10.925 1.000 17.392 ? 352 GLY   AaA C   1 ? 
ATOM   2118 O O   . GLY   A 1 279 ? -13.339 -41.849 -10.779 1.000 18.023 ? 352 GLY   AaA O   1 ? 
ATOM   2119 N N   . THR   A 1 280 ? -15.101 -40.423 -10.769 1.000 16.824 ? 353 THR   AaA N   1 ? 
ATOM   2120 C CA  . THR   A 1 280 ? -16.124 -41.445 -10.512 1.000 17.448 ? 353 THR   AaA CA  1 ? 
ATOM   2121 C C   . THR   A 1 280 ? -17.332 -41.167 -11.394 1.000 17.180 ? 353 THR   AaA C   1 ? 
ATOM   2122 O O   . THR   A 1 280 ? -17.588 -39.994 -11.706 1.000 17.542 ? 353 THR   AaA O   1 ? 
ATOM   2123 C CB  . THR   A 1 280 ? -16.536 -41.512 -9.040  1.000 18.927 ? 353 THR   AaA CB  1 ? 
ATOM   2124 O OG1 . THR   A 1 280 ? -17.082 -40.254 -8.648  1.000 21.843 ? 353 THR   AaA OG1 1 ? 
ATOM   2125 C CG2 . THR   A 1 280 ? -15.393 -41.842 -8.114  1.000 20.819 ? 353 THR   AaA CG2 1 ? 
ATOM   2126 N N   . THR   A 1 281 ? -18.054 -42.194 -11.780 1.000 17.578 ? 354 THR   AaA N   1 ? 
ATOM   2127 C CA  . THR   A 1 281 ? -19.355 -42.034 -12.453 1.000 16.428 ? 354 THR   AaA CA  1 ? 
ATOM   2128 C C   . THR   A 1 281 ? -20.396 -42.935 -11.823 1.000 17.809 ? 354 THR   AaA C   1 ? 
ATOM   2129 O O   . THR   A 1 281 ? -20.069 -44.025 -11.309 1.000 18.861 ? 354 THR   AaA O   1 ? 
ATOM   2130 C CB  . THR   A 1 281 ? -19.276 -42.265 -13.963 1.000 17.372 ? 354 THR   AaA CB  1 ? 
ATOM   2131 O OG1 . THR   A 1 281 ? -18.765 -43.571 -14.256 1.000 17.711 ? 354 THR   AaA OG1 1 ? 
ATOM   2132 C CG2 . THR   A 1 281 ? -18.439 -41.216 -14.660 1.000 17.906 ? 354 THR   AaA CG2 1 ? 
ATOM   2133 N N   . LEU   A 1 282 ? -21.626 -42.485 -11.895 1.000 17.203 ? 355 LEU   AaA N   1 ? 
ATOM   2134 C CA  . LEU   A 1 282 ? -22.820 -43.226 -11.450 1.000 19.129 ? 355 LEU   AaA CA  1 ? 
ATOM   2135 C C   . LEU   A 1 282 ? -23.785 -43.286 -12.620 1.000 19.302 ? 355 LEU   AaA C   1 ? 
ATOM   2136 O O   . LEU   A 1 282 ? -24.103 -42.205 -13.194 1.000 18.105 ? 355 LEU   AaA O   1 ? 
ATOM   2137 C CB  . LEU   A 1 282 ? -23.441 -42.524 -10.240 1.000 20.822 ? 355 LEU   AaA CB  1 ? 
ATOM   2138 C CG  . LEU   A 1 282 ? -24.748 -43.131 -9.721  1.000 26.102 ? 355 LEU   AaA CG  1 ? 
ATOM   2139 C CD1 . LEU   A 1 282 ? -24.504 -44.505 -9.149  1.000 29.785 ? 355 LEU   AaA CD1 1 ? 
ATOM   2140 C CD2 . LEU   A 1 282 ? -25.393 -42.248 -8.659  1.000 29.613 ? 355 LEU   AaA CD2 1 ? 
ATOM   2141 N N   . TRP   A 1 283 ? -24.273 -44.477 -12.935 1.000 19.454 ? 356 TRP   AaA N   1 ? 
ATOM   2142 C CA  . TRP   A 1 283 ? -25.132 -44.743 -14.098 1.000 20.040 ? 356 TRP   AaA CA  1 ? 
ATOM   2143 C C   . TRP   A 1 283 ? -26.447 -45.369 -13.628 1.000 22.294 ? 356 TRP   AaA C   1 ? 
ATOM   2144 O O   . TRP   A 1 283 ? -26.389 -46.264 -12.795 1.000 24.484 ? 356 TRP   AaA O   1 ? 
ATOM   2145 C CB  . TRP   A 1 283 ? -24.406 -45.676 -15.067 1.000 20.364 ? 356 TRP   AaA CB  1 ? 
ATOM   2146 C CG  . TRP   A 1 283 ? -23.131 -45.117 -15.622 1.000 20.070 ? 356 TRP   AaA CG  1 ? 
ATOM   2147 C CD1 . TRP   A 1 283 ? -21.959 -44.898 -14.963 1.000 20.136 ? 356 TRP   AaA CD1 1 ? 
ATOM   2148 C CD2 . TRP   A 1 283 ? -22.919 -44.676 -16.969 1.000 18.948 ? 356 TRP   AaA CD2 1 ? 
ATOM   2149 N NE1 . TRP   A 1 283 ? -21.023 -44.376 -15.810 1.000 20.410 ? 356 TRP   AaA NE1 1 ? 
ATOM   2150 C CE2 . TRP   A 1 283 ? -21.580 -44.236 -17.053 1.000 19.282 ? 356 TRP   AaA CE2 1 ? 
ATOM   2151 C CE3 . TRP   A 1 283 ? -23.714 -44.627 -18.114 1.000 18.273 ? 356 TRP   AaA CE3 1 ? 
ATOM   2152 C CZ2 . TRP   A 1 283 ? -21.051 -43.722 -18.229 1.000 20.103 ? 356 TRP   AaA CZ2 1 ? 
ATOM   2153 C CZ3 . TRP   A 1 283 ? -23.177 -44.166 -19.289 1.000 19.857 ? 356 TRP   AaA CZ3 1 ? 
ATOM   2154 C CH2 . TRP   A 1 283 ? -21.857 -43.715 -19.340 1.000 19.842 ? 356 TRP   AaA CH2 1 ? 
ATOM   2155 N N   . ARG   A 1 284 ? -27.553 -44.928 -14.223 1.000 23.578 ? 357 ARG   AaA N   1 ? 
ATOM   2156 C CA  . ARG   A 1 284 ? -28.940 -45.423 -13.985 1.000 26.661 ? 357 ARG   AaA CA  1 ? 
ATOM   2157 C C   . ARG   A 1 284 ? -29.344 -46.301 -15.176 1.000 26.611 ? 357 ARG   AaA C   1 ? 
ATOM   2158 O O   . ARG   A 1 284 ? -29.042 -45.954 -16.312 1.000 26.675 ? 357 ARG   AaA O   1 ? 
ATOM   2159 C CB  . ARG   A 1 284 ? -29.924 -44.250 -13.786 1.000 30.129 ? 357 ARG   AaA CB  1 ? 
ATOM   2160 C CG  . ARG   A 1 284 ? -30.136 -43.319 -14.986 1.000 35.351 ? 357 ARG   AaA CG  1 ? 
ATOM   2161 C CD  . ARG   A 1 284 ? -30.689 -41.894 -14.734 1.000 37.452 ? 357 ARG   AaA CD  1 ? 
ATOM   2162 N NE  . ARG   A 1 284 ? -31.074 -41.161 -15.959 1.000 38.348 ? 357 ARG   AaA NE  1 ? 
ATOM   2163 C CZ  . ARG   A 1 284 ? -30.505 -40.059 -16.510 1.000 39.629 ? 357 ARG   AaA CZ  1 ? 
ATOM   2164 N NH1 . ARG   A 1 284 ? -31.026 -39.595 -17.637 1.000 39.655 ? 357 ARG   AaA NH1 1 ? 
ATOM   2165 N NH2 . ARG   A 1 284 ? -29.455 -39.415 -15.995 1.000 31.541 ? 357 ARG   AaA NH2 1 ? 
ATOM   2166 N N   . LYS   A 1 285 ? -30.044 -47.407 -14.923 1.000 30.710 ? 358 LYS   AaA N   1 ? 
ATOM   2167 C CA  . LYS   A 1 285 ? -30.572 -48.262 -16.016 1.000 34.392 ? 358 LYS   AaA CA  1 ? 
ATOM   2168 C C   . LYS   A 1 285 ? -31.552 -47.422 -16.834 1.000 35.976 ? 358 LYS   AaA C   1 ? 
ATOM   2169 O O   . LYS   A 1 285 ? -32.308 -46.648 -16.222 1.000 39.862 ? 358 LYS   AaA O   1 ? 
ATOM   2170 C CB  . LYS   A 1 285 ? -31.256 -49.513 -15.456 1.000 39.578 ? 358 LYS   AaA CB  1 ? 
ATOM   2171 C CG  . LYS   A 1 285 ? -30.367 -50.747 -15.399 1.000 44.660 ? 358 LYS   AaA CG  1 ? 
ATOM   2172 C CD  . LYS   A 1 285 ? -31.061 -52.003 -14.894 1.000 48.430 ? 358 LYS   AaA CD  1 ? 
ATOM   2173 C CE  . LYS   A 1 285 ? -32.323 -52.342 -15.663 1.000 53.069 ? 358 LYS   AaA CE  1 ? 
ATOM   2174 N NZ  . LYS   A 1 285 ? -32.443 -53.796 -15.924 1.000 56.352 ? 358 LYS   AaA NZ  1 ? 
ATOM   2175 N N   . LYS   A 1 286 ? -31.523 -47.552 -18.161 1.000 37.626 ? 359 LYS   AaA N   1 ? 
ATOM   2176 C CA  . LYS   A 1 286 ? -32.500 -46.881 -19.064 1.000 44.187 ? 359 LYS   AaA CA  1 ? 
ATOM   2177 C C   . LYS   A 1 286 ? -33.913 -47.392 -18.787 1.000 50.374 ? 359 LYS   AaA C   1 ? 
ATOM   2178 O O   . LYS   A 1 286 ? -34.104 -48.584 -18.553 1.000 50.416 ? 359 LYS   AaA O   1 ? 
ATOM   2179 C CB  . LYS   A 1 286 ? -32.154 -47.110 -20.534 1.000 45.040 ? 359 LYS   AaA CB  1 ? 
ATOM   2180 C CG  . LYS   A 1 286 ? -31.073 -46.196 -21.080 1.000 44.398 ? 359 LYS   AaA CG  1 ? 
ATOM   2181 C CD  . LYS   A 1 286 ? -30.636 -46.550 -22.479 1.000 44.398 ? 359 LYS   AaA CD  1 ? 
ATOM   2182 C CE  . LYS   A 1 286 ? -29.287 -45.953 -22.808 1.000 44.171 ? 359 LYS   AaA CE  1 ? 
ATOM   2183 N NZ  . LYS   A 1 286 ? -28.926 -46.152 -24.231 1.000 47.155 ? 359 LYS   AaA NZ  1 ? 
ATOM   2184 N N   . PRO   A 1 287 ? -34.939 -46.507 -18.866 1.000 59.185 ? 360 PRO   AaA N   1 ? 
ATOM   2185 C CA  . PRO   A 1 287 ? -36.293 -46.818 -18.391 1.000 61.424 ? 360 PRO   AaA CA  1 ? 
ATOM   2186 C C   . PRO   A 1 287 ? -36.844 -48.168 -18.879 1.000 61.411 ? 360 PRO   AaA C   1 ? 
ATOM   2187 O O   . PRO   A 1 287 ? -36.734 -48.499 -20.059 1.000 62.183 ? 360 PRO   AaA O   1 ? 
ATOM   2188 C CB  . PRO   A 1 287 ? -37.151 -45.672 -18.960 1.000 61.619 ? 360 PRO   AaA CB  1 ? 
ATOM   2189 C CG  . PRO   A 1 287 ? -36.185 -44.518 -19.135 1.000 61.655 ? 360 PRO   AaA CG  1 ? 
ATOM   2190 C CD  . PRO   A 1 287 ? -34.850 -45.159 -19.456 1.000 61.384 ? 360 PRO   AaA CD  1 ? 
HETATM 2191 C C1  A A1IWF B 2 .   ? -13.499 -19.259 -12.673 0.800 20.293 ? 401 A1IWF AaA C1  1 ? 
HETATM 2192 C C1  B A1IWF B 2 .   ? -13.409 -19.267 -12.688 0.200 20.823 ? 401 A1IWF AaA C1  1 ? 
HETATM 2193 F F1  A A1IWF B 2 .   ? -14.394 -14.343 -12.119 0.800 19.959 ? 401 A1IWF AaA F1  1 ? 
HETATM 2194 F F1  B A1IWF B 2 .   ? -14.366 -14.324 -12.137 0.200 18.773 ? 401 A1IWF AaA F1  1 ? 
HETATM 2195 N N1  A A1IWF B 2 .   ? -15.360 -19.603 -15.515 0.800 20.942 ? 401 A1IWF AaA N1  1 ? 
HETATM 2196 N N1  B A1IWF B 2 .   ? -15.417 -19.466 -15.550 0.200 21.835 ? 401 A1IWF AaA N1  1 ? 
HETATM 2197 O O1  A A1IWF B 2 .   ? -14.536 -16.477 -14.939 0.800 19.806 ? 401 A1IWF AaA O1  1 ? 
HETATM 2198 O O1  B A1IWF B 2 .   ? -14.528 -16.467 -14.932 0.200 19.880 ? 401 A1IWF AaA O1  1 ? 
HETATM 2199 C C2  A A1IWF B 2 .   ? -13.964 -18.583 -13.931 0.800 19.225 ? 401 A1IWF AaA C2  1 ? 
HETATM 2200 C C2  B A1IWF B 2 .   ? -13.949 -18.612 -13.940 0.200 20.751 ? 401 A1IWF AaA C2  1 ? 
HETATM 2201 O O2  A A1IWF B 2 .   ? -15.313 -19.099 -14.204 0.800 20.333 ? 401 A1IWF AaA O2  1 ? 
HETATM 2202 O O2  B A1IWF B 2 .   ? -15.290 -19.170 -14.175 0.200 21.180 ? 401 A1IWF AaA O2  1 ? 
HETATM 2203 C C3  A A1IWF B 2 .   ? -14.094 -17.092 -13.741 0.800 18.476 ? 401 A1IWF AaA C3  1 ? 
HETATM 2204 C C3  B A1IWF B 2 .   ? -14.069 -17.092 -13.748 0.200 20.008 ? 401 A1IWF AaA C3  1 ? 
HETATM 2205 C C4  A A1IWF B 2 .   ? -14.539 -15.065 -14.861 0.800 18.968 ? 401 A1IWF AaA C4  1 ? 
HETATM 2206 C C4  B A1IWF B 2 .   ? -14.549 -15.058 -14.847 0.200 18.992 ? 401 A1IWF AaA C4  1 ? 
HETATM 2207 C C5  A A1IWF B 2 .   ? -15.717 -14.580 -14.049 0.800 17.360 ? 401 A1IWF AaA C5  1 ? 
HETATM 2208 C C5  B A1IWF B 2 .   ? -15.727 -14.589 -14.038 0.200 18.722 ? 401 A1IWF AaA C5  1 ? 
HETATM 2209 C C6  A A1IWF B 2 .   ? -15.600 -14.263 -12.691 0.800 17.984 ? 401 A1IWF AaA C6  1 ? 
HETATM 2210 C C6  B A1IWF B 2 .   ? -15.593 -14.238 -12.700 0.200 18.609 ? 401 A1IWF AaA C6  1 ? 
HETATM 2211 C C7  A A1IWF B 2 .   ? -16.665 -13.819 -11.951 0.800 18.066 ? 401 A1IWF AaA C7  1 ? 
HETATM 2212 C C7  B A1IWF B 2 .   ? -16.661 -13.805 -11.952 0.200 18.478 ? 401 A1IWF AaA C7  1 ? 
HETATM 2213 C C8  A A1IWF B 2 .   ? -17.908 -13.742 -12.526 0.800 17.999 ? 401 A1IWF AaA C8  1 ? 
HETATM 2214 C C8  B A1IWF B 2 .   ? -17.918 -13.719 -12.515 0.200 18.555 ? 401 A1IWF AaA C8  1 ? 
HETATM 2215 C C9  A A1IWF B 2 .   ? -18.079 -14.046 -13.852 0.800 18.190 ? 401 A1IWF AaA C9  1 ? 
HETATM 2216 C C9  B A1IWF B 2 .   ? -18.111 -14.052 -13.840 0.200 18.571 ? 401 A1IWF AaA C9  1 ? 
HETATM 2217 C C10 A A1IWF B 2 .   ? -16.994 -14.473 -14.592 0.800 17.772 ? 401 A1IWF AaA C10 1 ? 
HETATM 2218 C C10 B A1IWF B 2 .   ? -17.018 -14.488 -14.595 0.200 18.668 ? 401 A1IWF AaA C10 1 ? 
HETATM 2219 C C11 A A1IWF B 2 .   ? -13.147 -18.983 -15.152 0.800 21.459 ? 401 A1IWF AaA C11 1 ? 
HETATM 2220 C C11 B A1IWF B 2 .   ? -13.175 -19.023 -15.190 0.200 21.682 ? 401 A1IWF AaA C11 1 ? 
HETATM 2221 C C12 A A1IWF B 2 .   ? -14.205 -19.553 -16.050 0.800 21.689 ? 401 A1IWF AaA C12 1 ? 
HETATM 2222 C C12 B A1IWF B 2 .   ? -14.258 -19.554 -16.082 0.200 22.234 ? 401 A1IWF AaA C12 1 ? 
HETATM 2223 C C13 A A1IWF B 2 .   ? -13.950 -20.086 -17.391 0.800 23.473 ? 401 A1IWF AaA C13 1 ? 
HETATM 2224 C C13 B A1IWF B 2 .   ? -14.026 -20.126 -17.431 0.200 23.676 ? 401 A1IWF AaA C13 1 ? 
HETATM 2225 C C14 A A1IWF B 2 .   ? -12.668 -20.001 -17.948 0.800 23.957 ? 401 A1IWF AaA C14 1 ? 
HETATM 2226 C C14 B A1IWF B 2 .   ? -15.086 -20.739 -18.103 0.200 24.095 ? 401 A1IWF AaA C14 1 ? 
HETATM 2227 C C15 A A1IWF B 2 .   ? -12.408 -20.505 -19.217 0.800 24.594 ? 401 A1IWF AaA C15 1 ? 
HETATM 2228 C C15 B A1IWF B 2 .   ? -14.917 -21.287 -19.367 0.200 24.057 ? 401 A1IWF AaA C15 1 ? 
HETATM 2229 C C16 A A1IWF B 2 .   ? -13.421 -21.118 -19.942 0.800 25.268 ? 401 A1IWF AaA C16 1 ? 
HETATM 2230 C C16 B A1IWF B 2 .   ? -13.687 -21.233 -19.984 0.200 24.241 ? 401 A1IWF AaA C16 1 ? 
HETATM 2231 C C17 A A1IWF B 2 .   ? -14.711 -21.204 -19.397 0.800 24.173 ? 401 A1IWF AaA C17 1 ? 
HETATM 2232 C C17 B A1IWF B 2 .   ? -12.614 -20.617 -19.327 0.200 24.669 ? 401 A1IWF AaA C17 1 ? 
HETATM 2233 C C18 A A1IWF B 2 .   ? -14.949 -20.698 -18.141 0.800 22.767 ? 401 A1IWF AaA C18 1 ? 
HETATM 2234 C C18 B A1IWF B 2 .   ? -12.803 -20.084 -18.080 0.200 24.679 ? 401 A1IWF AaA C18 1 ? 
HETATM 2235 F F3  A A1IWF B 2 .   ? -16.213 -20.809 -17.643 0.800 22.429 ? 401 A1IWF AaA F3  1 ? 
HETATM 2236 F F3  B A1IWF B 2 .   ? -11.746 -19.496 -17.476 0.200 25.934 ? 401 A1IWF AaA F3  1 ? 
HETATM 2237 F F2  A A1IWF B 2 .   ? -17.166 -14.820 -15.902 0.800 20.562 ? 401 A1IWF AaA F2  1 ? 
HETATM 2238 F F2  B A1IWF B 2 .   ? -17.188 -14.839 -15.896 0.200 19.419 ? 401 A1IWF AaA F2  1 ? 
HETATM 2239 C C1  . GOL   C 3 .   ? -23.424 -41.436 -21.315 1.000 27.917 ? 402 GOL   AaA C1  1 ? 
HETATM 2240 O O1  . GOL   C 3 .   ? -23.523 -42.029 -22.608 1.000 29.870 ? 402 GOL   AaA O1  1 ? 
HETATM 2241 C C2  . GOL   C 3 .   ? -24.485 -40.380 -21.136 1.000 28.530 ? 402 GOL   AaA C2  1 ? 
HETATM 2242 O O2  . GOL   C 3 .   ? -25.718 -41.011 -20.724 1.000 24.402 ? 402 GOL   AaA O2  1 ? 
HETATM 2243 C C3  . GOL   C 3 .   ? -24.556 -39.526 -22.394 1.000 29.289 ? 402 GOL   AaA C3  1 ? 
HETATM 2244 O O3  . GOL   C 3 .   ? -23.255 -39.208 -22.919 1.000 24.957 ? 402 GOL   AaA O3  1 ? 
HETATM 2245 S S   . SO4   D 4 .   ? -14.025 -14.280 -0.004  0.500 18.505 ? 403 SO4   AaA S   1 ? 
HETATM 2246 O O1  . SO4   D 4 .   ? -12.988 -14.101 -1.007  0.500 18.059 ? 403 SO4   AaA O1  1 ? 
HETATM 2247 O O2  . SO4   D 4 .   ? -15.055 -13.320 -0.298  0.500 18.588 ? 403 SO4   AaA O2  1 ? 
HETATM 2248 O O3  . SO4   D 4 .   ? -14.563 -15.586 -0.060  0.500 19.378 ? 403 SO4   AaA O3  1 ? 
HETATM 2249 O O4  . SO4   D 4 .   ? -13.488 -13.997 1.327   0.500 21.166 ? 403 SO4   AaA O4  1 ? 
HETATM 2250 O O   . HOH   E 5 .   ? -15.274 -34.005 -26.560 1.000 35.429 ? 501 HOH   AaA O   1 ? 
HETATM 2251 O O   . HOH   E 5 .   ? -9.244  -25.646 -17.391 1.000 33.568 ? 502 HOH   AaA O   1 ? 
HETATM 2252 O O   . HOH   E 5 .   ? -31.544 -39.821 -22.877 1.000 41.465 ? 503 HOH   AaA O   1 ? 
HETATM 2253 O O   . HOH   E 5 .   ? -37.947 -25.529 -12.140 1.000 38.032 ? 504 HOH   AaA O   1 ? 
HETATM 2254 O O   . HOH   E 5 .   ? -16.153 -8.088  -22.926 1.000 35.334 ? 505 HOH   AaA O   1 ? 
HETATM 2255 O O   . HOH   E 5 .   ? -24.149 -11.959 -23.857 1.000 31.142 ? 506 HOH   AaA O   1 ? 
HETATM 2256 O O   . HOH   E 5 .   ? -15.600 -26.052 -4.850  1.000 30.401 ? 507 HOH   AaA O   1 ? 
HETATM 2257 O O   . HOH   E 5 .   ? 0.472   -36.024 -11.968 1.000 37.663 ? 508 HOH   AaA O   1 ? 
HETATM 2258 O O   . HOH   E 5 .   ? -11.122 -15.496 -4.414  1.000 19.528 ? 509 HOH   AaA O   1 ? 
HETATM 2259 O O   . HOH   E 5 .   ? -15.962 -13.540 -28.537 1.000 37.235 ? 510 HOH   AaA O   1 ? 
HETATM 2260 O O   . HOH   E 5 .   ? -10.190 -25.813 -31.716 1.000 31.418 ? 511 HOH   AaA O   1 ? 
HETATM 2261 O O   . HOH   E 5 .   ? 1.065   -47.239 -21.190 1.000 29.337 ? 512 HOH   AaA O   1 ? 
HETATM 2262 O O   . HOH   E 5 .   ? -26.848 -19.876 -27.466 1.000 23.810 ? 513 HOH   AaA O   1 ? 
HETATM 2263 O O   . HOH   E 5 .   ? -20.128 -27.400 -32.343 1.000 18.996 ? 514 HOH   AaA O   1 ? 
HETATM 2264 O O   . HOH   E 5 .   ? -8.258  -12.705 -20.978 1.000 29.925 ? 515 HOH   AaA O   1 ? 
HETATM 2265 O O   . HOH   E 5 .   ? -2.346  -44.752 -29.985 1.000 42.606 ? 516 HOH   AaA O   1 ? 
HETATM 2266 O O   . HOH   E 5 .   ? -2.956  -29.360 -23.159 1.000 32.806 ? 517 HOH   AaA O   1 ? 
HETATM 2267 O O   . HOH   E 5 .   ? -7.937  -17.863 -17.330 1.000 27.209 ? 518 HOH   AaA O   1 ? 
HETATM 2268 O O   . HOH   E 5 .   ? -8.919  -51.563 -10.076 1.000 26.331 ? 519 HOH   AaA O   1 ? 
HETATM 2269 O O   . HOH   E 5 .   ? -5.557  -29.357 -21.208 1.000 25.926 ? 520 HOH   AaA O   1 ? 
HETATM 2270 O O   . HOH   E 5 .   ? -13.112 -13.928 -21.823 1.000 26.011 ? 521 HOH   AaA O   1 ? 
HETATM 2271 O O   . HOH   E 5 .   ? -23.099 -7.062  -20.402 1.000 39.671 ? 522 HOH   AaA O   1 ? 
HETATM 2272 O O   . HOH   E 5 .   ? 5.177   -16.439 -16.143 1.000 19.669 ? 523 HOH   AaA O   1 ? 
HETATM 2273 O O   . HOH   E 5 .   ? -2.503  -14.585 -18.116 1.000 24.433 ? 524 HOH   AaA O   1 ? 
HETATM 2274 O O   . HOH   E 5 .   ? -0.166  -28.025 -12.710 1.000 36.409 ? 525 HOH   AaA O   1 ? 
HETATM 2275 O O   . HOH   E 5 .   ? 3.263   -15.475 -11.648 1.000 22.104 ? 526 HOH   AaA O   1 ? 
HETATM 2276 O O   . HOH   E 5 .   ? -7.926  -53.991 -20.037 1.000 40.097 ? 527 HOH   AaA O   1 ? 
HETATM 2277 O O   . HOH   E 5 .   ? -16.996 -39.572 -6.087  1.000 36.625 ? 528 HOH   AaA O   1 ? 
HETATM 2278 O O   . HOH   E 5 .   ? 2.748   -23.724 -6.271  1.000 38.587 ? 529 HOH   AaA O   1 ? 
HETATM 2279 O O   . HOH   E 5 .   ? -35.249 -18.344 -16.850 1.000 38.580 ? 530 HOH   AaA O   1 ? 
HETATM 2280 O O   . HOH   E 5 .   ? -10.388 -37.330 -30.018 1.000 27.858 ? 531 HOH   AaA O   1 ? 
HETATM 2281 O O   . HOH   E 5 .   ? -6.864  -51.929 -23.618 1.000 31.207 ? 532 HOH   AaA O   1 ? 
HETATM 2282 O O   . HOH   E 5 .   ? -16.057 -39.524 -26.588 1.000 25.152 ? 533 HOH   AaA O   1 ? 
HETATM 2283 O O   . HOH   E 5 .   ? -35.542 -26.966 -32.573 1.000 32.627 ? 534 HOH   AaA O   1 ? 
HETATM 2284 O O   . HOH   E 5 .   ? -35.097 -36.000 -23.275 1.000 36.843 ? 535 HOH   AaA O   1 ? 
HETATM 2285 O O   . HOH   E 5 .   ? -2.486  -6.328  -16.827 1.000 34.693 ? 536 HOH   AaA O   1 ? 
HETATM 2286 O O   . HOH   E 5 .   ? -34.197 -28.879 -22.554 1.000 33.168 ? 537 HOH   AaA O   1 ? 
HETATM 2287 O O   . HOH   E 5 .   ? -0.556  -46.249 -24.281 1.000 28.085 ? 538 HOH   AaA O   1 ? 
HETATM 2288 O O   . HOH   E 5 .   ? -31.561 -15.875 -11.183 1.000 35.439 ? 539 HOH   AaA O   1 ? 
HETATM 2289 O O   . HOH   E 5 .   ? -31.714 -21.461 -13.116 1.000 33.982 ? 540 HOH   AaA O   1 ? 
HETATM 2290 O O   . HOH   E 5 .   ? -21.155 -40.001 -24.691 1.000 33.989 ? 541 HOH   AaA O   1 ? 
HETATM 2291 O O   . HOH   E 5 .   ? 0.912   -28.281 -18.992 1.000 37.659 ? 542 HOH   AaA O   1 ? 
HETATM 2292 O O   . HOH   E 5 .   ? -16.121 -41.473 -24.784 1.000 21.575 ? 543 HOH   AaA O   1 ? 
HETATM 2293 O O   . HOH   E 5 .   ? -23.224 -19.287 -28.000 1.000 26.026 ? 544 HOH   AaA O   1 ? 
HETATM 2294 O O   . HOH   E 5 .   ? -14.191 -49.506 -23.869 1.000 39.338 ? 545 HOH   AaA O   1 ? 
HETATM 2295 O O   . HOH   E 5 .   ? -20.495 -36.126 -27.856 1.000 23.825 ? 546 HOH   AaA O   1 ? 
HETATM 2296 O O   . HOH   E 5 .   ? -0.098  -45.535 -18.544 1.000 27.127 ? 547 HOH   AaA O   1 ? 
HETATM 2297 O O   . HOH   E 5 .   ? -37.466 -19.690 -20.284 1.000 39.763 ? 548 HOH   AaA O   1 ? 
HETATM 2298 O O   . HOH   E 5 .   ? -27.605 -38.798 -23.792 1.000 28.824 ? 549 HOH   AaA O   1 ? 
HETATM 2299 O O   . HOH   E 5 .   ? -0.656  -23.028 -19.594 1.000 28.091 ? 550 HOH   AaA O   1 ? 
HETATM 2300 O O   . HOH   E 5 .   ? -32.552 -29.835 -20.468 1.000 29.946 ? 551 HOH   AaA O   1 ? 
HETATM 2301 O O   . HOH   E 5 .   ? -21.751 -8.731  -5.641  1.000 25.578 ? 552 HOH   AaA O   1 ? 
HETATM 2302 O O   . HOH   E 5 .   ? 6.487   -43.285 -17.486 1.000 29.922 ? 553 HOH   AaA O   1 ? 
HETATM 2303 O O   . HOH   E 5 .   ? -35.672 -31.038 -22.984 1.000 33.608 ? 554 HOH   AaA O   1 ? 
HETATM 2304 O O   . HOH   E 5 .   ? -11.722 -50.547 -24.423 1.000 37.554 ? 555 HOH   AaA O   1 ? 
HETATM 2305 O O   . HOH   E 5 .   ? -18.020 -17.900 -25.773 1.000 19.666 ? 556 HOH   AaA O   1 ? 
HETATM 2306 O O   . HOH   E 5 .   ? 5.359   -20.231 -11.127 1.000 22.378 ? 557 HOH   AaA O   1 ? 
HETATM 2307 O O   . HOH   E 5 .   ? -5.902  -23.803 -4.422  1.000 26.578 ? 558 HOH   AaA O   1 ? 
HETATM 2308 O O   . HOH   E 5 .   ? -0.935  -39.938 -8.787  1.000 37.737 ? 559 HOH   AaA O   1 ? 
HETATM 2309 O O   . HOH   E 5 .   ? -10.324 -11.314 -19.983 1.000 28.164 ? 560 HOH   AaA O   1 ? 
HETATM 2310 O O   . HOH   E 5 .   ? -6.282  -25.021 -31.633 1.000 31.529 ? 561 HOH   AaA O   1 ? 
HETATM 2311 O O   . HOH   E 5 .   ? 3.056   -20.036 -9.559  1.000 27.976 ? 562 HOH   AaA O   1 ? 
HETATM 2312 O O   . HOH   E 5 .   ? -13.266 -5.122  -11.208 1.000 26.946 ? 563 HOH   AaA O   1 ? 
HETATM 2313 O O   . HOH   E 5 .   ? -14.294 -8.734  2.253   1.000 27.200 ? 564 HOH   AaA O   1 ? 
HETATM 2314 O O   . HOH   E 5 .   ? -6.264  -22.446 -23.039 1.000 34.047 ? 565 HOH   AaA O   1 ? 
HETATM 2315 O O   . HOH   E 5 .   ? -21.303 -6.389  -7.225  1.000 24.142 ? 566 HOH   AaA O   1 ? 
HETATM 2316 O O   . HOH   E 5 .   ? -28.111 -40.562 -21.968 1.000 35.681 ? 567 HOH   AaA O   1 ? 
HETATM 2317 O O   . HOH   E 5 .   ? -20.447 -32.129 -27.967 1.000 28.963 ? 568 HOH   AaA O   1 ? 
HETATM 2318 O O   . HOH   E 5 .   ? -32.450 -20.529 -16.256 1.000 36.205 ? 569 HOH   AaA O   1 ? 
HETATM 2319 O O   . HOH   E 5 .   ? -21.922 -11.614 -13.080 1.000 17.538 ? 570 HOH   AaA O   1 ? 
HETATM 2320 O O   . HOH   E 5 .   ? -6.355  -33.001 -16.664 1.000 28.731 ? 571 HOH   AaA O   1 ? 
HETATM 2321 O O   . HOH   E 5 .   ? -33.322 -32.433 -20.640 1.000 31.271 ? 572 HOH   AaA O   1 ? 
HETATM 2322 O O   . HOH   E 5 .   ? -19.488 -39.122 -9.372  1.000 32.825 ? 573 HOH   AaA O   1 ? 
HETATM 2323 O O   . HOH   E 5 .   ? -6.042  -20.575 -6.882  1.000 23.146 ? 574 HOH   AaA O   1 ? 
HETATM 2324 O O   . HOH   E 5 .   ? -27.378 -17.524 0.865   1.000 35.875 ? 575 HOH   AaA O   1 ? 
HETATM 2325 O O   . HOH   E 5 .   ? -8.198  -26.694 -33.106 1.000 31.061 ? 576 HOH   AaA O   1 ? 
HETATM 2326 O O   . HOH   E 5 .   ? -10.306 -55.399 -19.636 1.000 38.886 ? 577 HOH   AaA O   1 ? 
HETATM 2327 O O   . HOH   E 5 .   ? -26.527 -26.628 -29.002 1.000 17.425 ? 578 HOH   AaA O   1 ? 
HETATM 2328 O O   . HOH   E 5 .   ? -25.114 -15.910 -25.219 1.000 30.185 ? 579 HOH   AaA O   1 ? 
HETATM 2329 O O   . HOH   E 5 .   ? -19.662 -17.318 -28.605 1.000 21.004 ? 580 HOH   AaA O   1 ? 
HETATM 2330 O O   . HOH   E 5 .   ? -0.414  -37.199 -29.300 1.000 35.950 ? 581 HOH   AaA O   1 ? 
HETATM 2331 O O   . HOH   E 5 .   ? -12.347 -24.444 -25.638 1.000 34.210 ? 582 HOH   AaA O   1 ? 
HETATM 2332 O O   . HOH   E 5 .   ? -35.686 -35.139 -31.320 1.000 39.279 ? 583 HOH   AaA O   1 ? 
HETATM 2333 O O   . HOH   E 5 .   ? 4.444   -27.455 -12.502 1.000 33.321 ? 584 HOH   AaA O   1 ? 
HETATM 2334 O O   . HOH   E 5 .   ? -25.643 -43.801 -22.357 1.000 30.099 ? 585 HOH   AaA O   1 ? 
HETATM 2335 O O   . HOH   E 5 .   ? -13.856 -17.782 1.482   1.000 24.313 ? 586 HOH   AaA O   1 ? 
HETATM 2336 O O   . HOH   E 5 .   ? 2.280   -14.182 -7.381  1.000 34.419 ? 587 HOH   AaA O   1 ? 
HETATM 2337 O O   . HOH   E 5 .   ? -37.504 -28.374 -11.405 1.000 40.264 ? 588 HOH   AaA O   1 ? 
HETATM 2338 O O   . HOH   E 5 .   ? -41.689 -24.753 -14.322 1.000 39.316 ? 589 HOH   AaA O   1 ? 
HETATM 2339 O O   . HOH   E 5 .   ? -12.787 -4.303  -8.505  1.000 27.946 ? 590 HOH   AaA O   1 ? 
HETATM 2340 O O   . HOH   E 5 .   ? -16.724 -45.194 -7.757  1.000 30.246 ? 591 HOH   AaA O   1 ? 
HETATM 2341 O O   . HOH   E 5 .   ? -1.889  -48.496 -19.116 1.000 30.536 ? 592 HOH   AaA O   1 ? 
HETATM 2342 O O   . HOH   E 5 .   ? -28.342 -13.454 -10.244 1.000 29.987 ? 593 HOH   AaA O   1 ? 
HETATM 2343 O O   . HOH   E 5 .   ? -14.813 -15.839 -22.298 1.000 27.112 ? 594 HOH   AaA O   1 ? 
HETATM 2344 O O   . HOH   E 5 .   ? -17.317 -27.027 -6.679  1.000 29.222 ? 595 HOH   AaA O   1 ? 
HETATM 2345 O O   . HOH   E 5 .   ? -17.453 -28.063 -18.854 1.000 32.373 ? 596 HOH   AaA O   1 ? 
HETATM 2346 O O   . HOH   E 5 .   ? -37.095 -31.659 -30.108 1.000 36.806 ? 597 HOH   AaA O   1 ? 
HETATM 2347 O O   . HOH   E 5 .   ? -25.892 -37.443 -34.940 1.000 28.064 ? 598 HOH   AaA O   1 ? 
HETATM 2348 O O   . HOH   E 5 .   ? -32.373 -38.555 -20.228 1.000 27.705 ? 599 HOH   AaA O   1 ? 
HETATM 2349 O O   . HOH   E 5 .   ? -21.586 -14.591 -11.030 1.000 15.357 ? 600 HOH   AaA O   1 ? 
HETATM 2350 O O   . HOH   E 5 .   ? -20.793 -16.951 -0.020  1.000 31.500 ? 601 HOH   AaA O   1 ? 
HETATM 2351 O O   . HOH   E 5 .   ? -35.765 -33.225 -14.688 1.000 36.585 ? 602 HOH   AaA O   1 ? 
HETATM 2352 O O   . HOH   E 5 .   ? -17.502 -20.457 -2.574  1.000 33.534 ? 603 HOH   AaA O   1 ? 
HETATM 2353 O O   . HOH   E 5 .   ? -21.338 -12.471 -23.870 1.000 25.027 ? 604 HOH   AaA O   1 ? 
HETATM 2354 O O   . HOH   E 5 .   ? -8.691  -56.798 -14.923 1.000 42.361 ? 605 HOH   AaA O   1 ? 
HETATM 2355 O O   . HOH   E 5 .   ? -14.216 -51.085 -21.681 1.000 32.352 ? 606 HOH   AaA O   1 ? 
HETATM 2356 O O   . HOH   E 5 .   ? -6.629  -28.696 -18.817 1.000 37.559 ? 607 HOH   AaA O   1 ? 
HETATM 2357 O O   . HOH   E 5 .   ? -10.179 -8.572  -18.939 1.000 39.016 ? 608 HOH   AaA O   1 ? 
HETATM 2358 O O   . HOH   E 5 .   ? -8.570  -43.172 -9.694  1.000 20.874 ? 609 HOH   AaA O   1 ? 
HETATM 2359 O O   . HOH   E 5 .   ? -13.745 -5.801  -4.761  1.000 28.105 ? 610 HOH   AaA O   1 ? 
HETATM 2360 O O   . HOH   E 5 .   ? -7.875  -26.291 -22.005 1.000 37.589 ? 611 HOH   AaA O   1 ? 
HETATM 2361 O O   B HOH   E 5 .   ? -15.547 -26.751 -24.228 0.500 16.793 ? 612 HOH   AaA O   1 ? 
HETATM 2362 O O   . HOH   E 5 .   ? -11.233 -44.345 -28.920 1.000 35.710 ? 613 HOH   AaA O   1 ? 
HETATM 2363 O O   . HOH   E 5 .   ? -35.306 -31.700 -10.960 1.000 41.340 ? 614 HOH   AaA O   1 ? 
HETATM 2364 O O   . HOH   E 5 .   ? -7.956  -28.373 -16.144 1.000 31.437 ? 615 HOH   AaA O   1 ? 
HETATM 2365 O O   . HOH   E 5 .   ? -0.662  -12.656 -19.266 1.000 39.002 ? 616 HOH   AaA O   1 ? 
HETATM 2366 O O   . HOH   E 5 .   ? -13.496 -31.733 -26.491 1.000 35.635 ? 617 HOH   AaA O   1 ? 
HETATM 2367 O O   . HOH   E 5 .   ? -28.007 -24.838 -32.191 1.000 21.496 ? 618 HOH   AaA O   1 ? 
HETATM 2368 O O   . HOH   E 5 .   ? -6.915  -17.323 -23.799 1.000 40.279 ? 619 HOH   AaA O   1 ? 
HETATM 2369 O O   . HOH   E 5 .   ? -30.812 -20.505 -28.588 1.000 36.742 ? 620 HOH   AaA O   1 ? 
HETATM 2370 O O   . HOH   E 5 .   ? 4.822   -22.794 -4.711  1.000 36.246 ? 621 HOH   AaA O   1 ? 
HETATM 2371 O O   . HOH   E 5 .   ? -37.576 -27.366 -26.153 1.000 36.457 ? 622 HOH   AaA O   1 ? 
HETATM 2372 O O   . HOH   E 5 .   ? -6.605  -38.869 -32.525 1.000 27.975 ? 623 HOH   AaA O   1 ? 
HETATM 2373 O O   . HOH   E 5 .   ? -26.521 -15.320 -3.038  1.000 32.879 ? 624 HOH   AaA O   1 ? 
HETATM 2374 O O   . HOH   E 5 .   ? -9.723  -55.444 -11.721 1.000 40.612 ? 625 HOH   AaA O   1 ? 
HETATM 2375 O O   . HOH   E 5 .   ? -18.349 -14.616 -4.054  1.000 18.351 ? 626 HOH   AaA O   1 ? 
HETATM 2376 O O   . HOH   E 5 .   ? -5.901  -28.664 -12.630 1.000 32.015 ? 627 HOH   AaA O   1 ? 
HETATM 2377 O O   . HOH   E 5 .   ? -9.737  -7.050  -14.072 1.000 31.574 ? 628 HOH   AaA O   1 ? 
HETATM 2378 O O   . HOH   E 5 .   ? -3.695  -14.245 -7.483  1.000 30.420 ? 629 HOH   AaA O   1 ? 
HETATM 2379 O O   . HOH   E 5 .   ? -14.414 -57.902 -15.665 1.000 39.690 ? 630 HOH   AaA O   1 ? 
HETATM 2380 O O   . HOH   E 5 .   ? -3.022  -8.462  -3.482  1.000 34.438 ? 631 HOH   AaA O   1 ? 
HETATM 2381 O O   . HOH   E 5 .   ? -11.235 -53.024 -21.474 1.000 32.194 ? 632 HOH   AaA O   1 ? 
HETATM 2382 O O   . HOH   E 5 .   ? -15.155 -26.319 -15.598 1.000 31.065 ? 633 HOH   AaA O   1 ? 
HETATM 2383 O O   . HOH   E 5 .   ? -11.437 -43.673 -16.982 1.000 21.452 ? 634 HOH   AaA O   1 ? 
HETATM 2384 O O   . HOH   E 5 .   ? -8.903  -39.344 -28.900 1.000 25.524 ? 635 HOH   AaA O   1 ? 
HETATM 2385 O O   . HOH   E 5 .   ? -18.376 -14.951 -27.890 1.000 28.125 ? 636 HOH   AaA O   1 ? 
HETATM 2386 O O   . HOH   E 5 .   ? -13.489 -17.355 -20.438 1.000 29.484 ? 637 HOH   AaA O   1 ? 
HETATM 2387 O O   . HOH   E 5 .   ? -9.256  -49.810 -7.615  1.000 31.642 ? 638 HOH   AaA O   1 ? 
HETATM 2388 O O   . HOH   E 5 .   ? -16.695 -51.925 -24.964 1.000 40.485 ? 639 HOH   AaA O   1 ? 
HETATM 2389 O O   . HOH   E 5 .   ? 2.658   -39.415 -23.560 1.000 37.077 ? 640 HOH   AaA O   1 ? 
HETATM 2390 O O   . HOH   E 5 .   ? -26.221 -15.163 -8.775  1.000 24.422 ? 641 HOH   AaA O   1 ? 
HETATM 2391 O O   . HOH   E 5 .   ? -31.549 -22.590 -15.664 1.000 31.170 ? 642 HOH   AaA O   1 ? 
HETATM 2392 O O   . HOH   E 5 .   ? -29.745 -21.249 -7.108  1.000 38.307 ? 643 HOH   AaA O   1 ? 
HETATM 2393 O O   . HOH   E 5 .   ? -8.089  -29.383 -5.842  1.000 39.040 ? 644 HOH   AaA O   1 ? 
HETATM 2394 O O   . HOH   E 5 .   ? -21.956 -36.765 -34.141 1.000 29.746 ? 645 HOH   AaA O   1 ? 
HETATM 2395 O O   . HOH   E 5 .   ? 1.217   -39.581 -10.997 1.000 34.316 ? 646 HOH   AaA O   1 ? 
HETATM 2396 O O   . HOH   E 5 .   ? -30.927 -13.549 -18.364 1.000 31.663 ? 647 HOH   AaA O   1 ? 
HETATM 2397 O O   . HOH   E 5 .   ? 0.098   -29.773 -16.459 1.000 36.991 ? 648 HOH   AaA O   1 ? 
HETATM 2398 O O   . HOH   E 5 .   ? -1.311  -28.485 -14.973 1.000 29.920 ? 649 HOH   AaA O   1 ? 
HETATM 2399 O O   . HOH   E 5 .   ? -30.623 -34.572 -6.567  1.000 40.771 ? 650 HOH   AaA O   1 ? 
HETATM 2400 O O   . HOH   E 5 .   ? 3.654   -20.641 -6.956  1.000 42.612 ? 651 HOH   AaA O   1 ? 
HETATM 2401 O O   . HOH   E 5 .   ? -7.455  -50.300 -25.719 1.000 27.833 ? 652 HOH   AaA O   1 ? 
HETATM 2402 O O   . HOH   E 5 .   ? -7.130  -41.861 -30.046 1.000 35.561 ? 653 HOH   AaA O   1 ? 
HETATM 2403 O O   . HOH   E 5 .   ? -15.019 -40.811 -4.375  1.000 45.133 ? 654 HOH   AaA O   1 ? 
HETATM 2404 O O   . HOH   E 5 .   ? -9.466  -53.444 -23.690 1.000 41.476 ? 655 HOH   AaA O   1 ? 
HETATM 2405 O O   . HOH   E 5 .   ? -21.662 -15.242 -27.954 1.000 30.584 ? 656 HOH   AaA O   1 ? 
HETATM 2406 O O   . HOH   E 5 .   ? -4.126  -29.030 -14.987 1.000 34.147 ? 657 HOH   AaA O   1 ? 
HETATM 2407 O O   . HOH   E 5 .   ? -24.101 -16.625 -27.793 1.000 28.061 ? 658 HOH   AaA O   1 ? 
HETATM 2408 O O   . HOH   E 5 .   ? -16.510 -29.393 -8.331  1.000 30.869 ? 659 HOH   AaA O   1 ? 
HETATM 2409 O O   . HOH   E 5 .   ? -35.954 -32.792 -20.873 1.000 41.986 ? 660 HOH   AaA O   1 ? 
HETATM 2410 O O   . HOH   E 5 .   ? -0.062  -48.437 -23.322 0.500 27.720 ? 661 HOH   AaA O   1 ? 
HETATM 2411 O O   . HOH   E 5 .   ? -5.745  -30.270 -16.788 1.000 30.510 ? 662 HOH   AaA O   1 ? 
HETATM 2412 O O   . HOH   E 5 .   ? -20.728 -9.710  -24.189 1.000 36.949 ? 663 HOH   AaA O   1 ? 
HETATM 2413 O O   . HOH   E 5 .   ? -0.647  -47.368 -26.819 1.000 31.307 ? 664 HOH   AaA O   1 ? 
HETATM 2414 O O   . HOH   E 5 .   ? -20.065 -30.872 -30.384 1.000 30.929 ? 665 HOH   AaA O   1 ? 
HETATM 2415 O O   . HOH   E 5 .   ? -18.575 -34.186 -28.211 1.000 33.305 ? 666 HOH   AaA O   1 ? 
HETATM 2416 O O   . HOH   E 5 .   ? -14.714 -44.996 -5.797  1.000 37.271 ? 667 HOH   AaA O   1 ? 
HETATM 2417 O O   . HOH   E 5 .   ? -22.472 -41.289 -26.925 1.000 38.038 ? 668 HOH   AaA O   1 ? 
HETATM 2418 O O   . HOH   E 5 .   ? -9.842  -50.998 -27.168 1.000 36.331 ? 669 HOH   AaA O   1 ? 
# 
